Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./P.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 6 4 1 256 178 33 Max 7 5 2 266 199 48 Sum 219 175 63 9427 6933 1449 bravais-lattice index = 14 lattice parameter (alat) = 3.9994 a.u. unit-cell volume = 246.8771 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 35.0000 Ry charge density cutoff = 172.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 3.999391 celldm(2)= 1.000000 celldm(3)= 3.900988 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.145948 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.145948 0.989292 0.000000 ) a(3) = ( 0.000000 0.000000 3.900988 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.147528 -0.000000 ) b(2) = ( 0.000000 1.010824 -0.000000 ) b(3) = ( 0.000000 0.000000 0.256345 ) PseudoPot. # 1 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.9504941 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.9504941 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 650 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 2) = ( 0.0043632 0.0050541 -0.0000000), wk = 0.0015385 k( 3) = ( 0.0087264 0.0101082 -0.0000000), wk = 0.0015385 k( 4) = ( 0.0130896 0.0151624 -0.0000000), wk = 0.0015385 k( 5) = ( 0.0174528 0.0202165 -0.0000000), wk = 0.0015385 k( 6) = ( 0.0218160 0.0252706 -0.0000000), wk = 0.0015385 k( 7) = ( 0.0261792 0.0303247 -0.0000000), wk = 0.0015385 k( 8) = ( 0.0305424 0.0353788 -0.0000000), wk = 0.0015385 k( 9) = ( 0.0349056 0.0404330 -0.0000000), wk = 0.0015385 k( 10) = ( 0.0392688 0.0454871 -0.0000000), wk = 0.0015385 k( 11) = ( 0.0436320 0.0505412 -0.0000000), wk = 0.0015385 k( 12) = ( 0.0479952 0.0555953 -0.0000000), wk = 0.0015385 k( 13) = ( 0.0523584 0.0606494 -0.0000000), wk = 0.0015385 k( 14) = ( 0.0567216 0.0657035 -0.0000000), wk = 0.0015385 k( 15) = ( 0.0610848 0.0707577 -0.0000000), wk = 0.0015385 k( 16) = ( 0.0654480 0.0758118 -0.0000000), wk = 0.0015385 k( 17) = ( 0.0698112 0.0808659 -0.0000000), wk = 0.0015385 k( 18) = ( 0.0741744 0.0859200 -0.0000000), wk = 0.0015385 k( 19) = ( 0.0785376 0.0909741 -0.0000000), wk = 0.0015385 k( 20) = ( 0.0829008 0.0960282 -0.0000000), wk = 0.0015385 k( 21) = ( 0.0872640 0.1010824 -0.0000000), wk = 0.0015385 k( 22) = ( 0.0916272 0.1061365 -0.0000000), wk = 0.0015385 k( 23) = ( 0.0959904 0.1111906 -0.0000000), wk = 0.0015385 k( 24) = ( 0.1003536 0.1162447 -0.0000000), wk = 0.0015385 k( 25) = ( 0.1047168 0.1212988 -0.0000000), wk = 0.0015385 k( 26) = ( 0.1090800 0.1263530 -0.0000000), wk = 0.0015385 k( 27) = ( 0.1134432 0.1314071 -0.0000000), wk = 0.0015385 k( 28) = ( 0.1178064 0.1364612 -0.0000000), wk = 0.0015385 k( 29) = ( 0.1221696 0.1415153 -0.0000000), wk = 0.0015385 k( 30) = ( 0.1265328 0.1465694 -0.0000000), wk = 0.0015385 k( 31) = ( 0.1308960 0.1516235 -0.0000000), wk = 0.0015385 k( 32) = ( 0.1352592 0.1566777 -0.0000000), wk = 0.0015385 k( 33) = ( 0.1396224 0.1617318 -0.0000000), wk = 0.0015385 k( 34) = ( 0.1439856 0.1667859 -0.0000000), wk = 0.0015385 k( 35) = ( 0.1483488 0.1718400 -0.0000000), wk = 0.0015385 k( 36) = ( 0.1527120 0.1768941 -0.0000000), wk = 0.0015385 k( 37) = ( 0.1570752 0.1819483 -0.0000000), wk = 0.0015385 k( 38) = ( 0.1614384 0.1870024 -0.0000000), wk = 0.0015385 k( 39) = ( 0.1658016 0.1920565 -0.0000000), wk = 0.0015385 k( 40) = ( 0.1701648 0.1971106 -0.0000000), wk = 0.0015385 k( 41) = ( 0.1745280 0.2021647 -0.0000000), wk = 0.0015385 k( 42) = ( 0.1788912 0.2072189 -0.0000000), wk = 0.0015385 k( 43) = ( 0.1832544 0.2122730 -0.0000000), wk = 0.0015385 k( 44) = ( 0.1876176 0.2173271 -0.0000000), wk = 0.0015385 k( 45) = ( 0.1919808 0.2223812 -0.0000000), wk = 0.0015385 k( 46) = ( 0.1963440 0.2274353 -0.0000000), wk = 0.0015385 k( 47) = ( 0.2007072 0.2324894 -0.0000000), wk = 0.0015385 k( 48) = ( 0.2050704 0.2375436 -0.0000000), wk = 0.0015385 k( 49) = ( 0.2094336 0.2425977 -0.0000000), wk = 0.0015385 k( 50) = ( 0.2137968 0.2476518 -0.0000000), wk = 0.0015385 k( 51) = ( 0.2181600 0.2527059 -0.0000000), wk = 0.0015385 k( 52) = ( 0.2225232 0.2577600 -0.0000000), wk = 0.0015385 k( 53) = ( 0.2268864 0.2628141 -0.0000000), wk = 0.0015385 k( 54) = ( 0.2312496 0.2678683 -0.0000000), wk = 0.0015385 k( 55) = ( 0.2356128 0.2729224 -0.0000000), wk = 0.0015385 k( 56) = ( 0.2399760 0.2779765 -0.0000000), wk = 0.0015385 k( 57) = ( 0.2443392 0.2830306 -0.0000000), wk = 0.0015385 k( 58) = ( 0.2487024 0.2880847 -0.0000000), wk = 0.0015385 k( 59) = ( 0.2530656 0.2931389 -0.0000000), wk = 0.0015385 k( 60) = ( 0.2574288 0.2981930 -0.0000000), wk = 0.0015385 k( 61) = ( 0.2617920 0.3032471 -0.0000000), wk = 0.0015385 k( 62) = ( 0.2661552 0.3083012 -0.0000000), wk = 0.0015385 k( 63) = ( 0.2705184 0.3133553 -0.0000000), wk = 0.0015385 k( 64) = ( 0.2748816 0.3184094 -0.0000000), wk = 0.0015385 k( 65) = ( 0.2792448 0.3234636 -0.0000000), wk = 0.0015385 k( 66) = ( 0.2836080 0.3285177 -0.0000000), wk = 0.0015385 k( 67) = ( 0.2879712 0.3335718 -0.0000000), wk = 0.0015385 k( 68) = ( 0.2923344 0.3386259 -0.0000000), wk = 0.0015385 k( 69) = ( 0.2966976 0.3436800 -0.0000000), wk = 0.0015385 k( 70) = ( 0.3010608 0.3487342 -0.0000000), wk = 0.0015385 k( 71) = ( 0.3054240 0.3537883 -0.0000000), wk = 0.0015385 k( 72) = ( 0.3097872 0.3588424 -0.0000000), wk = 0.0015385 k( 73) = ( 0.3141504 0.3638965 -0.0000000), wk = 0.0015385 k( 74) = ( 0.3185136 0.3689506 -0.0000000), wk = 0.0015385 k( 75) = ( 0.3228768 0.3740048 -0.0000000), wk = 0.0015385 k( 76) = ( 0.3272400 0.3790589 -0.0000000), wk = 0.0015385 k( 77) = ( 0.3316032 0.3841130 -0.0000000), wk = 0.0015385 k( 78) = ( 0.3359664 0.3891671 -0.0000000), wk = 0.0015385 k( 79) = ( 0.3403296 0.3942212 -0.0000000), wk = 0.0015385 k( 80) = ( 0.3446928 0.3992753 -0.0000000), wk = 0.0015385 k( 81) = ( 0.3490560 0.4043295 -0.0000000), wk = 0.0015385 k( 82) = ( 0.3534192 0.4093836 -0.0000000), wk = 0.0015385 k( 83) = ( 0.3577824 0.4144377 -0.0000000), wk = 0.0015385 k( 84) = ( 0.3621455 0.4194918 -0.0000000), wk = 0.0015385 k( 85) = ( 0.3665087 0.4245459 -0.0000000), wk = 0.0015385 k( 86) = ( 0.3708720 0.4296000 -0.0000000), wk = 0.0015385 k( 87) = ( 0.3752352 0.4346542 -0.0000000), wk = 0.0015385 k( 88) = ( 0.3795983 0.4397083 -0.0000000), wk = 0.0015385 k( 89) = ( 0.3839615 0.4447624 -0.0000000), wk = 0.0015385 k( 90) = ( 0.3883247 0.4498165 -0.0000000), wk = 0.0015385 k( 91) = ( 0.3926880 0.4548706 -0.0000000), wk = 0.0015385 k( 92) = ( 0.3970512 0.4599248 -0.0000000), wk = 0.0015385 k( 93) = ( 0.4014143 0.4649789 -0.0000000), wk = 0.0015385 k( 94) = ( 0.4057775 0.4700330 -0.0000000), wk = 0.0015385 k( 95) = ( 0.4101407 0.4750871 -0.0000000), wk = 0.0015385 k( 96) = ( 0.4145040 0.4801412 -0.0000000), wk = 0.0015385 k( 97) = ( 0.4188672 0.4851954 -0.0000000), wk = 0.0015385 k( 98) = ( 0.4232303 0.4902495 -0.0000000), wk = 0.0015385 k( 99) = ( 0.4275935 0.4953036 -0.0000000), wk = 0.0015385 k( 100) = ( 0.4319567 0.5003577 -0.0000000), wk = 0.0015385 k( 101) = ( 0.4363199 0.5054118 -0.0000000), wk = 0.0015385 k( 102) = ( 0.4363199 0.5054118 -0.0000000), wk = 0.0015385 k( 103) = ( 0.4296073 0.5054118 -0.0000000), wk = 0.0015385 k( 104) = ( 0.4228947 0.5054118 -0.0000000), wk = 0.0015385 k( 105) = ( 0.4161821 0.5054118 -0.0000000), wk = 0.0015385 k( 106) = ( 0.4094695 0.5054118 -0.0000000), wk = 0.0015385 k( 107) = ( 0.4027569 0.5054118 -0.0000000), wk = 0.0015385 k( 108) = ( 0.3960443 0.5054118 -0.0000000), wk = 0.0015385 k( 109) = ( 0.3893316 0.5054118 -0.0000000), wk = 0.0015385 k( 110) = ( 0.3826190 0.5054118 -0.0000000), wk = 0.0015385 k( 111) = ( 0.3759064 0.5054118 -0.0000000), wk = 0.0015385 k( 112) = ( 0.3691938 0.5054118 -0.0000000), wk = 0.0015385 k( 113) = ( 0.3624812 0.5054118 -0.0000000), wk = 0.0015385 k( 114) = ( 0.3557686 0.5054118 -0.0000000), wk = 0.0015385 k( 115) = ( 0.3490560 0.5054118 -0.0000000), wk = 0.0015385 k( 116) = ( 0.3423433 0.5054118 -0.0000000), wk = 0.0015385 k( 117) = ( 0.3356307 0.5054118 -0.0000000), wk = 0.0015385 k( 118) = ( 0.3289181 0.5054118 -0.0000000), wk = 0.0015385 k( 119) = ( 0.3222055 0.5054118 -0.0000000), wk = 0.0015385 k( 120) = ( 0.3154929 0.5054118 -0.0000000), wk = 0.0015385 k( 121) = ( 0.3087803 0.5054118 -0.0000000), wk = 0.0015385 k( 122) = ( 0.3020677 0.5054118 -0.0000000), wk = 0.0015385 k( 123) = ( 0.2953550 0.5054118 -0.0000000), wk = 0.0015385 k( 124) = ( 0.2886424 0.5054118 -0.0000000), wk = 0.0015385 k( 125) = ( 0.2819298 0.5054118 -0.0000000), wk = 0.0015385 k( 126) = ( 0.2752172 0.5054118 -0.0000000), wk = 0.0015385 k( 127) = ( 0.2685046 0.5054118 -0.0000000), wk = 0.0015385 k( 128) = ( 0.2617920 0.5054118 -0.0000000), wk = 0.0015385 k( 129) = ( 0.2550793 0.5054118 -0.0000000), wk = 0.0015385 k( 130) = ( 0.2483667 0.5054118 -0.0000000), wk = 0.0015385 k( 131) = ( 0.2416541 0.5054118 -0.0000000), wk = 0.0015385 k( 132) = ( 0.2349415 0.5054118 -0.0000000), wk = 0.0015385 k( 133) = ( 0.2282289 0.5054118 -0.0000000), wk = 0.0015385 k( 134) = ( 0.2215163 0.5054118 -0.0000000), wk = 0.0015385 k( 135) = ( 0.2148037 0.5054118 -0.0000000), wk = 0.0015385 k( 136) = ( 0.2080910 0.5054118 -0.0000000), wk = 0.0015385 k( 137) = ( 0.2013784 0.5054118 -0.0000000), wk = 0.0015385 k( 138) = ( 0.1946658 0.5054118 -0.0000000), wk = 0.0015385 k( 139) = ( 0.1879532 0.5054118 -0.0000000), wk = 0.0015385 k( 140) = ( 0.1812406 0.5054118 -0.0000000), wk = 0.0015385 k( 141) = ( 0.1745280 0.5054118 -0.0000000), wk = 0.0015385 k( 142) = ( 0.1678154 0.5054118 -0.0000000), wk = 0.0015385 k( 143) = ( 0.1611027 0.5054118 -0.0000000), wk = 0.0015385 k( 144) = ( 0.1543901 0.5054118 -0.0000000), wk = 0.0015385 k( 145) = ( 0.1476775 0.5054118 -0.0000000), wk = 0.0015385 k( 146) = ( 0.1409649 0.5054118 -0.0000000), wk = 0.0015385 k( 147) = ( 0.1342523 0.5054118 -0.0000000), wk = 0.0015385 k( 148) = ( 0.1275397 0.5054118 -0.0000000), wk = 0.0015385 k( 149) = ( 0.1208271 0.5054118 -0.0000000), wk = 0.0015385 k( 150) = ( 0.1141145 0.5054118 -0.0000000), wk = 0.0015385 k( 151) = ( 0.1074018 0.5054118 -0.0000000), wk = 0.0015385 k( 152) = ( 0.1006892 0.5054118 -0.0000000), wk = 0.0015385 k( 153) = ( 0.0939766 0.5054118 -0.0000000), wk = 0.0015385 k( 154) = ( 0.0872640 0.5054118 -0.0000000), wk = 0.0015385 k( 155) = ( 0.0805514 0.5054118 -0.0000000), wk = 0.0015385 k( 156) = ( 0.0738388 0.5054118 -0.0000000), wk = 0.0015385 k( 157) = ( 0.0671261 0.5054118 -0.0000000), wk = 0.0015385 k( 158) = ( 0.0604135 0.5054118 -0.0000000), wk = 0.0015385 k( 159) = ( 0.0537009 0.5054118 -0.0000000), wk = 0.0015385 k( 160) = ( 0.0469883 0.5054118 -0.0000000), wk = 0.0015385 k( 161) = ( 0.0402757 0.5054118 -0.0000000), wk = 0.0015385 k( 162) = ( 0.0335631 0.5054118 -0.0000000), wk = 0.0015385 k( 163) = ( 0.0268505 0.5054118 -0.0000000), wk = 0.0015385 k( 164) = ( 0.0201378 0.5054118 -0.0000000), wk = 0.0015385 k( 165) = ( 0.0134252 0.5054118 -0.0000000), wk = 0.0015385 k( 166) = ( 0.0067126 0.5054118 -0.0000000), wk = 0.0015385 k( 167) = ( 0.0000000 0.5054118 -0.0000000), wk = 0.0015385 k( 168) = ( 0.0000000 0.5054118 -0.0000000), wk = 0.0015385 k( 169) = ( 0.0000000 0.5054118 0.0064086), wk = 0.0015385 k( 170) = ( 0.0000000 0.5054118 0.0128173), wk = 0.0015385 k( 171) = ( 0.0000000 0.5054118 0.0192259), wk = 0.0015385 k( 172) = ( 0.0000000 0.5054118 0.0256345), wk = 0.0015385 k( 173) = ( 0.0000000 0.5054118 0.0320432), wk = 0.0015385 k( 174) = ( 0.0000000 0.5054118 0.0384518), wk = 0.0015385 k( 175) = ( 0.0000000 0.5054118 0.0448604), wk = 0.0015385 k( 176) = ( 0.0000000 0.5054118 0.0512691), wk = 0.0015385 k( 177) = ( 0.0000000 0.5054118 0.0576777), wk = 0.0015385 k( 178) = ( 0.0000000 0.5054118 0.0640863), wk = 0.0015385 k( 179) = ( 0.0000000 0.5054118 0.0704950), wk = 0.0015385 k( 180) = ( 0.0000000 0.5054118 0.0769036), wk = 0.0015385 k( 181) = ( 0.0000000 0.5054118 0.0833122), wk = 0.0015385 k( 182) = ( 0.0000000 0.5054118 0.0897209), wk = 0.0015385 k( 183) = ( 0.0000000 0.5054118 0.0961295), wk = 0.0015385 k( 184) = ( 0.0000000 0.5054118 0.1025381), wk = 0.0015385 k( 185) = ( 0.0000000 0.5054118 0.1089468), wk = 0.0015385 k( 186) = ( 0.0000000 0.5054118 0.1153554), wk = 0.0015385 k( 187) = ( 0.0000000 0.5054118 0.1217640), wk = 0.0015385 k( 188) = ( 0.0000000 0.5054118 0.1281726), wk = 0.0015385 k( 189) = ( 0.0000000 0.5054118 0.1281726), wk = 0.0015385 k( 190) = ( 0.0067126 0.5054118 0.1281726), wk = 0.0015385 k( 191) = ( 0.0134252 0.5054118 0.1281726), wk = 0.0015385 k( 192) = ( 0.0201378 0.5054118 0.1281726), wk = 0.0015385 k( 193) = ( 0.0268505 0.5054118 0.1281726), wk = 0.0015385 k( 194) = ( 0.0335631 0.5054118 0.1281726), wk = 0.0015385 k( 195) = ( 0.0402757 0.5054118 0.1281726), wk = 0.0015385 k( 196) = ( 0.0469883 0.5054118 0.1281726), wk = 0.0015385 k( 197) = ( 0.0537009 0.5054118 0.1281726), wk = 0.0015385 k( 198) = ( 0.0604135 0.5054118 0.1281726), wk = 0.0015385 k( 199) = ( 0.0671261 0.5054118 0.1281726), wk = 0.0015385 k( 200) = ( 0.0738388 0.5054118 0.1281726), wk = 0.0015385 k( 201) = ( 0.0805514 0.5054118 0.1281726), wk = 0.0015385 k( 202) = ( 0.0872640 0.5054118 0.1281726), wk = 0.0015385 k( 203) = ( 0.0939766 0.5054118 0.1281726), wk = 0.0015385 k( 204) = ( 0.1006892 0.5054118 0.1281726), wk = 0.0015385 k( 205) = ( 0.1074018 0.5054118 0.1281726), wk = 0.0015385 k( 206) = ( 0.1141145 0.5054118 0.1281726), wk = 0.0015385 k( 207) = ( 0.1208271 0.5054118 0.1281726), wk = 0.0015385 k( 208) = ( 0.1275397 0.5054118 0.1281726), wk = 0.0015385 k( 209) = ( 0.1342523 0.5054118 0.1281726), wk = 0.0015385 k( 210) = ( 0.1409649 0.5054118 0.1281726), wk = 0.0015385 k( 211) = ( 0.1476775 0.5054118 0.1281726), wk = 0.0015385 k( 212) = ( 0.1543901 0.5054118 0.1281726), wk = 0.0015385 k( 213) = ( 0.1611027 0.5054118 0.1281726), wk = 0.0015385 k( 214) = ( 0.1678154 0.5054118 0.1281726), wk = 0.0015385 k( 215) = ( 0.1745280 0.5054118 0.1281726), wk = 0.0015385 k( 216) = ( 0.1812406 0.5054118 0.1281726), wk = 0.0015385 k( 217) = ( 0.1879532 0.5054118 0.1281726), wk = 0.0015385 k( 218) = ( 0.1946658 0.5054118 0.1281726), wk = 0.0015385 k( 219) = ( 0.2013784 0.5054118 0.1281726), wk = 0.0015385 k( 220) = ( 0.2080910 0.5054118 0.1281726), wk = 0.0015385 k( 221) = ( 0.2148037 0.5054118 0.1281726), wk = 0.0015385 k( 222) = ( 0.2215163 0.5054118 0.1281726), wk = 0.0015385 k( 223) = ( 0.2282289 0.5054118 0.1281726), wk = 0.0015385 k( 224) = ( 0.2349415 0.5054118 0.1281726), wk = 0.0015385 k( 225) = ( 0.2416541 0.5054118 0.1281726), wk = 0.0015385 k( 226) = ( 0.2483667 0.5054118 0.1281726), wk = 0.0015385 k( 227) = ( 0.2550793 0.5054118 0.1281726), wk = 0.0015385 k( 228) = ( 0.2617920 0.5054118 0.1281726), wk = 0.0015385 k( 229) = ( 0.2685046 0.5054118 0.1281726), wk = 0.0015385 k( 230) = ( 0.2752172 0.5054118 0.1281726), wk = 0.0015385 k( 231) = ( 0.2819298 0.5054118 0.1281726), wk = 0.0015385 k( 232) = ( 0.2886424 0.5054118 0.1281726), wk = 0.0015385 k( 233) = ( 0.2953550 0.5054118 0.1281726), wk = 0.0015385 k( 234) = ( 0.3020677 0.5054118 0.1281726), wk = 0.0015385 k( 235) = ( 0.3087803 0.5054118 0.1281726), wk = 0.0015385 k( 236) = ( 0.3154929 0.5054118 0.1281726), wk = 0.0015385 k( 237) = ( 0.3222055 0.5054118 0.1281726), wk = 0.0015385 k( 238) = ( 0.3289181 0.5054118 0.1281726), wk = 0.0015385 k( 239) = ( 0.3356307 0.5054118 0.1281726), wk = 0.0015385 k( 240) = ( 0.3423433 0.5054118 0.1281726), wk = 0.0015385 k( 241) = ( 0.3490560 0.5054118 0.1281726), wk = 0.0015385 k( 242) = ( 0.3557686 0.5054118 0.1281726), wk = 0.0015385 k( 243) = ( 0.3624812 0.5054118 0.1281726), wk = 0.0015385 k( 244) = ( 0.3691938 0.5054118 0.1281726), wk = 0.0015385 k( 245) = ( 0.3759064 0.5054118 0.1281726), wk = 0.0015385 k( 246) = ( 0.3826190 0.5054118 0.1281726), wk = 0.0015385 k( 247) = ( 0.3893316 0.5054118 0.1281726), wk = 0.0015385 k( 248) = ( 0.3960443 0.5054118 0.1281726), wk = 0.0015385 k( 249) = ( 0.4027569 0.5054118 0.1281726), wk = 0.0015385 k( 250) = ( 0.4094695 0.5054118 0.1281726), wk = 0.0015385 k( 251) = ( 0.4161821 0.5054118 0.1281726), wk = 0.0015385 k( 252) = ( 0.4228947 0.5054118 0.1281726), wk = 0.0015385 k( 253) = ( 0.4296073 0.5054118 0.1281726), wk = 0.0015385 k( 254) = ( 0.4363199 0.5054118 0.1281726), wk = 0.0015385 k( 255) = ( 0.4363199 0.5054118 0.1281726), wk = 0.0015385 k( 256) = ( 0.4319567 0.5003577 0.1281726), wk = 0.0015385 k( 257) = ( 0.4275935 0.4953036 0.1281726), wk = 0.0015385 k( 258) = ( 0.4232303 0.4902495 0.1281726), wk = 0.0015385 k( 259) = ( 0.4188672 0.4851954 0.1281726), wk = 0.0015385 k( 260) = ( 0.4145040 0.4801412 0.1281726), wk = 0.0015385 k( 261) = ( 0.4101407 0.4750871 0.1281726), wk = 0.0015385 k( 262) = ( 0.4057775 0.4700330 0.1281726), wk = 0.0015385 k( 263) = ( 0.4014143 0.4649789 0.1281726), wk = 0.0015385 k( 264) = ( 0.3970512 0.4599248 0.1281726), wk = 0.0015385 k( 265) = ( 0.3926880 0.4548706 0.1281726), wk = 0.0015385 k( 266) = ( 0.3883247 0.4498165 0.1281726), wk = 0.0015385 k( 267) = ( 0.3839615 0.4447624 0.1281726), wk = 0.0015385 k( 268) = ( 0.3795983 0.4397083 0.1281726), wk = 0.0015385 k( 269) = ( 0.3752352 0.4346542 0.1281726), wk = 0.0015385 k( 270) = ( 0.3708720 0.4296000 0.1281726), wk = 0.0015385 k( 271) = ( 0.3665087 0.4245459 0.1281726), wk = 0.0015385 k( 272) = ( 0.3621455 0.4194918 0.1281726), wk = 0.0015385 k( 273) = ( 0.3577824 0.4144377 0.1281726), wk = 0.0015385 k( 274) = ( 0.3534192 0.4093836 0.1281726), wk = 0.0015385 k( 275) = ( 0.3490560 0.4043295 0.1281726), wk = 0.0015385 k( 276) = ( 0.3446928 0.3992753 0.1281726), wk = 0.0015385 k( 277) = ( 0.3403296 0.3942212 0.1281726), wk = 0.0015385 k( 278) = ( 0.3359664 0.3891671 0.1281726), wk = 0.0015385 k( 279) = ( 0.3316032 0.3841130 0.1281726), wk = 0.0015385 k( 280) = ( 0.3272400 0.3790589 0.1281726), wk = 0.0015385 k( 281) = ( 0.3228768 0.3740048 0.1281726), wk = 0.0015385 k( 282) = ( 0.3185136 0.3689506 0.1281726), wk = 0.0015385 k( 283) = ( 0.3141504 0.3638965 0.1281726), wk = 0.0015385 k( 284) = ( 0.3097872 0.3588424 0.1281726), wk = 0.0015385 k( 285) = ( 0.3054240 0.3537883 0.1281726), wk = 0.0015385 k( 286) = ( 0.3010608 0.3487342 0.1281726), wk = 0.0015385 k( 287) = ( 0.2966976 0.3436800 0.1281726), wk = 0.0015385 k( 288) = ( 0.2923344 0.3386259 0.1281726), wk = 0.0015385 k( 289) = ( 0.2879712 0.3335718 0.1281726), wk = 0.0015385 k( 290) = ( 0.2836080 0.3285177 0.1281726), wk = 0.0015385 k( 291) = ( 0.2792448 0.3234636 0.1281726), wk = 0.0015385 k( 292) = ( 0.2748816 0.3184094 0.1281726), wk = 0.0015385 k( 293) = ( 0.2705184 0.3133553 0.1281726), wk = 0.0015385 k( 294) = ( 0.2661552 0.3083012 0.1281726), wk = 0.0015385 k( 295) = ( 0.2617920 0.3032471 0.1281726), wk = 0.0015385 k( 296) = ( 0.2574288 0.2981930 0.1281726), wk = 0.0015385 k( 297) = ( 0.2530656 0.2931389 0.1281726), wk = 0.0015385 k( 298) = ( 0.2487024 0.2880847 0.1281726), wk = 0.0015385 k( 299) = ( 0.2443392 0.2830306 0.1281726), wk = 0.0015385 k( 300) = ( 0.2399760 0.2779765 0.1281726), wk = 0.0015385 k( 301) = ( 0.2356128 0.2729224 0.1281726), wk = 0.0015385 k( 302) = ( 0.2312496 0.2678683 0.1281726), wk = 0.0015385 k( 303) = ( 0.2268864 0.2628141 0.1281726), wk = 0.0015385 k( 304) = ( 0.2225232 0.2577600 0.1281726), wk = 0.0015385 k( 305) = ( 0.2181600 0.2527059 0.1281726), wk = 0.0015385 k( 306) = ( 0.2137968 0.2476518 0.1281726), wk = 0.0015385 k( 307) = ( 0.2094336 0.2425977 0.1281726), wk = 0.0015385 k( 308) = ( 0.2050704 0.2375436 0.1281726), wk = 0.0015385 k( 309) = ( 0.2007072 0.2324894 0.1281726), wk = 0.0015385 k( 310) = ( 0.1963440 0.2274353 0.1281726), wk = 0.0015385 k( 311) = ( 0.1919808 0.2223812 0.1281726), wk = 0.0015385 k( 312) = ( 0.1876176 0.2173271 0.1281726), wk = 0.0015385 k( 313) = ( 0.1832544 0.2122730 0.1281726), wk = 0.0015385 k( 314) = ( 0.1788912 0.2072189 0.1281726), wk = 0.0015385 k( 315) = ( 0.1745280 0.2021647 0.1281726), wk = 0.0015385 k( 316) = ( 0.1701648 0.1971106 0.1281726), wk = 0.0015385 k( 317) = ( 0.1658016 0.1920565 0.1281726), wk = 0.0015385 k( 318) = ( 0.1614384 0.1870024 0.1281726), wk = 0.0015385 k( 319) = ( 0.1570752 0.1819483 0.1281726), wk = 0.0015385 k( 320) = ( 0.1527120 0.1768941 0.1281726), wk = 0.0015385 k( 321) = ( 0.1483488 0.1718400 0.1281726), wk = 0.0015385 k( 322) = ( 0.1439856 0.1667859 0.1281726), wk = 0.0015385 k( 323) = ( 0.1396224 0.1617318 0.1281726), wk = 0.0015385 k( 324) = ( 0.1352592 0.1566777 0.1281726), wk = 0.0015385 k( 325) = ( 0.1308960 0.1516235 0.1281726), wk = 0.0015385 k( 326) = ( 0.1265328 0.1465694 0.1281726), wk = 0.0015385 k( 327) = ( 0.1221696 0.1415153 0.1281726), wk = 0.0015385 k( 328) = ( 0.1178064 0.1364612 0.1281726), wk = 0.0015385 k( 329) = ( 0.1134432 0.1314071 0.1281726), wk = 0.0015385 k( 330) = ( 0.1090800 0.1263530 0.1281726), wk = 0.0015385 k( 331) = ( 0.1047168 0.1212988 0.1281726), wk = 0.0015385 k( 332) = ( 0.1003536 0.1162447 0.1281726), wk = 0.0015385 k( 333) = ( 0.0959904 0.1111906 0.1281726), wk = 0.0015385 k( 334) = ( 0.0916272 0.1061365 0.1281726), wk = 0.0015385 k( 335) = ( 0.0872640 0.1010824 0.1281726), wk = 0.0015385 k( 336) = ( 0.0829008 0.0960282 0.1281726), wk = 0.0015385 k( 337) = ( 0.0785376 0.0909741 0.1281726), wk = 0.0015385 k( 338) = ( 0.0741744 0.0859200 0.1281726), wk = 0.0015385 k( 339) = ( 0.0698112 0.0808659 0.1281726), wk = 0.0015385 k( 340) = ( 0.0654480 0.0758118 0.1281726), wk = 0.0015385 k( 341) = ( 0.0610848 0.0707577 0.1281726), wk = 0.0015385 k( 342) = ( 0.0567216 0.0657035 0.1281726), wk = 0.0015385 k( 343) = ( 0.0523584 0.0606494 0.1281726), wk = 0.0015385 k( 344) = ( 0.0479952 0.0555953 0.1281726), wk = 0.0015385 k( 345) = ( 0.0436320 0.0505412 0.1281726), wk = 0.0015385 k( 346) = ( 0.0392688 0.0454871 0.1281726), wk = 0.0015385 k( 347) = ( 0.0349056 0.0404330 0.1281726), wk = 0.0015385 k( 348) = ( 0.0305424 0.0353788 0.1281726), wk = 0.0015385 k( 349) = ( 0.0261792 0.0303247 0.1281726), wk = 0.0015385 k( 350) = ( 0.0218160 0.0252706 0.1281726), wk = 0.0015385 k( 351) = ( 0.0174528 0.0202165 0.1281726), wk = 0.0015385 k( 352) = ( 0.0130896 0.0151624 0.1281726), wk = 0.0015385 k( 353) = ( 0.0087264 0.0101082 0.1281726), wk = 0.0015385 k( 354) = ( 0.0043632 0.0050541 0.1281726), wk = 0.0015385 k( 355) = ( 0.0000000 0.0000000 0.1281726), wk = 0.0015385 k( 356) = ( 0.0000000 0.0000000 0.1281726), wk = 0.0015385 k( 357) = ( 0.0000000 0.0000000 0.1217640), wk = 0.0015385 k( 358) = ( 0.0000000 0.0000000 0.1153554), wk = 0.0015385 k( 359) = ( 0.0000000 0.0000000 0.1089468), wk = 0.0015385 k( 360) = ( 0.0000000 0.0000000 0.1025381), wk = 0.0015385 k( 361) = ( 0.0000000 0.0000000 0.0961295), wk = 0.0015385 k( 362) = ( 0.0000000 0.0000000 0.0897209), wk = 0.0015385 k( 363) = ( 0.0000000 0.0000000 0.0833122), wk = 0.0015385 k( 364) = ( 0.0000000 0.0000000 0.0769036), wk = 0.0015385 k( 365) = ( 0.0000000 0.0000000 0.0704950), wk = 0.0015385 k( 366) = ( 0.0000000 0.0000000 0.0640863), wk = 0.0015385 k( 367) = ( 0.0000000 0.0000000 0.0576777), wk = 0.0015385 k( 368) = ( 0.0000000 0.0000000 0.0512691), wk = 0.0015385 k( 369) = ( 0.0000000 0.0000000 0.0448604), wk = 0.0015385 k( 370) = ( 0.0000000 0.0000000 0.0384518), wk = 0.0015385 k( 371) = ( 0.0000000 0.0000000 0.0320432), wk = 0.0015385 k( 372) = ( 0.0000000 0.0000000 0.0256345), wk = 0.0015385 k( 373) = ( 0.0000000 0.0000000 0.0192259), wk = 0.0015385 k( 374) = ( 0.0000000 0.0000000 0.0128173), wk = 0.0015385 k( 375) = ( 0.0000000 0.0000000 0.0064086), wk = 0.0015385 k( 376) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 378) = ( -0.0050505 0.0043601 -0.0000000), wk = 0.0015385 k( 379) = ( -0.0101010 0.0087202 -0.0000000), wk = 0.0015385 k( 380) = ( -0.0151515 0.0130802 -0.0000000), wk = 0.0015385 k( 381) = ( -0.0202020 0.0174403 -0.0000000), wk = 0.0015385 k( 382) = ( -0.0252525 0.0218004 0.0000000), wk = 0.0015385 k( 383) = ( -0.0303030 0.0261605 -0.0000000), wk = 0.0015385 k( 384) = ( -0.0353535 0.0305206 -0.0000000), wk = 0.0015385 k( 385) = ( -0.0404040 0.0348806 -0.0000000), wk = 0.0015385 k( 386) = ( -0.0454546 0.0392407 0.0000000), wk = 0.0015385 k( 387) = ( -0.0505051 0.0436008 -0.0000000), wk = 0.0015385 k( 388) = ( -0.0555556 0.0479609 0.0000000), wk = 0.0015385 k( 389) = ( -0.0606061 0.0523210 -0.0000000), wk = 0.0015385 k( 390) = ( -0.0656566 0.0566810 -0.0000000), wk = 0.0015385 k( 391) = ( -0.0707071 0.0610411 -0.0000000), wk = 0.0015385 k( 392) = ( -0.0757576 0.0654012 -0.0000000), wk = 0.0015385 k( 393) = ( -0.0808081 0.0697613 -0.0000000), wk = 0.0015385 k( 394) = ( -0.0858586 0.0741214 -0.0000000), wk = 0.0015385 k( 395) = ( -0.0909091 0.0784814 -0.0000000), wk = 0.0015385 k( 396) = ( -0.0959596 0.0828415 -0.0000000), wk = 0.0015385 k( 397) = ( -0.1010101 0.0872016 -0.0000000), wk = 0.0015385 k( 398) = ( -0.1060606 0.0915617 -0.0000000), wk = 0.0015385 k( 399) = ( -0.1111111 0.0959218 -0.0000000), wk = 0.0015385 k( 400) = ( -0.1161616 0.1002818 -0.0000000), wk = 0.0015385 k( 401) = ( -0.1212121 0.1046419 -0.0000000), wk = 0.0015385 k( 402) = ( -0.1262626 0.1090020 0.0000000), wk = 0.0015385 k( 403) = ( -0.1313131 0.1133621 -0.0000000), wk = 0.0015385 k( 404) = ( -0.1363636 0.1177222 0.0000000), wk = 0.0015385 k( 405) = ( -0.1414141 0.1220822 -0.0000000), wk = 0.0015385 k( 406) = ( -0.1464647 0.1264423 0.0000000), wk = 0.0015385 k( 407) = ( -0.1515151 0.1308024 -0.0000000), wk = 0.0015385 k( 408) = ( -0.1565657 0.1351625 0.0000000), wk = 0.0015385 k( 409) = ( -0.1616162 0.1395226 -0.0000000), wk = 0.0015385 k( 410) = ( -0.1666667 0.1438826 0.0000000), wk = 0.0015385 k( 411) = ( -0.1717172 0.1482427 -0.0000000), wk = 0.0015385 k( 412) = ( -0.1767677 0.1526028 0.0000000), wk = 0.0015385 k( 413) = ( -0.1818182 0.1569629 -0.0000000), wk = 0.0015385 k( 414) = ( -0.1868687 0.1613230 0.0000000), wk = 0.0015385 k( 415) = ( -0.1919192 0.1656830 -0.0000000), wk = 0.0015385 k( 416) = ( -0.1969697 0.1700431 0.0000000), wk = 0.0015385 k( 417) = ( -0.2020202 0.1744032 -0.0000000), wk = 0.0015385 k( 418) = ( -0.2070707 0.1787633 0.0000000), wk = 0.0015385 k( 419) = ( -0.2121212 0.1831234 -0.0000000), wk = 0.0015385 k( 420) = ( -0.2171717 0.1874835 0.0000000), wk = 0.0015385 k( 421) = ( -0.2222222 0.1918435 -0.0000000), wk = 0.0015385 k( 422) = ( -0.2272727 0.1962036 0.0000000), wk = 0.0015385 k( 423) = ( -0.2323232 0.2005637 -0.0000000), wk = 0.0015385 k( 424) = ( -0.2373737 0.2049238 0.0000000), wk = 0.0015385 k( 425) = ( -0.2424242 0.2092838 -0.0000000), wk = 0.0015385 k( 426) = ( -0.2474747 0.2136439 -0.0000000), wk = 0.0015385 k( 427) = ( -0.2525252 0.2180040 -0.0000000), wk = 0.0015385 k( 428) = ( -0.2575758 0.2223641 0.0000000), wk = 0.0015385 k( 429) = ( -0.2626263 0.2267242 -0.0000000), wk = 0.0015385 k( 430) = ( -0.2676768 0.2310843 0.0000000), wk = 0.0015385 k( 431) = ( -0.2727273 0.2354443 -0.0000000), wk = 0.0015385 k( 432) = ( -0.2777778 0.2398044 0.0000000), wk = 0.0015385 k( 433) = ( -0.2828283 0.2441645 -0.0000000), wk = 0.0015385 k( 434) = ( -0.2878788 0.2485246 0.0000000), wk = 0.0015385 k( 435) = ( -0.2929293 0.2528846 -0.0000000), wk = 0.0015385 k( 436) = ( -0.2979798 0.2572447 0.0000000), wk = 0.0015385 k( 437) = ( -0.3030303 0.2616048 -0.0000000), wk = 0.0015385 k( 438) = ( -0.3080808 0.2659649 0.0000000), wk = 0.0015385 k( 439) = ( -0.3131313 0.2703250 -0.0000000), wk = 0.0015385 k( 440) = ( -0.3181818 0.2746851 0.0000000), wk = 0.0015385 k( 441) = ( -0.3232323 0.2790451 -0.0000000), wk = 0.0015385 k( 442) = ( -0.3282828 0.2834052 0.0000000), wk = 0.0015385 k( 443) = ( -0.3333333 0.2877653 -0.0000000), wk = 0.0015385 k( 444) = ( -0.3383838 0.2921254 0.0000000), wk = 0.0015385 k( 445) = ( -0.3434343 0.2964855 -0.0000000), wk = 0.0015385 k( 446) = ( -0.3484849 0.3008455 0.0000000), wk = 0.0015385 k( 447) = ( -0.3535354 0.3052056 -0.0000000), wk = 0.0015385 k( 448) = ( -0.3585859 0.3095657 0.0000000), wk = 0.0015385 k( 449) = ( -0.3636364 0.3139258 -0.0000000), wk = 0.0015385 k( 450) = ( -0.3686869 0.3182859 0.0000000), wk = 0.0015385 k( 451) = ( -0.3737374 0.3226459 -0.0000000), wk = 0.0015385 k( 452) = ( -0.3787879 0.3270060 0.0000000), wk = 0.0015385 k( 453) = ( -0.3838384 0.3313661 -0.0000000), wk = 0.0015385 k( 454) = ( -0.3888889 0.3357262 0.0000000), wk = 0.0015385 k( 455) = ( -0.3939394 0.3400863 -0.0000000), wk = 0.0015385 k( 456) = ( -0.3989899 0.3444463 0.0000000), wk = 0.0015385 k( 457) = ( -0.4040404 0.3488064 -0.0000000), wk = 0.0015385 k( 458) = ( -0.4090909 0.3531665 0.0000000), wk = 0.0015385 k( 459) = ( -0.4141414 0.3575266 -0.0000000), wk = 0.0015385 k( 460) = ( -0.4191919 0.3618867 0.0000000), wk = 0.0015385 k( 461) = ( -0.4242424 0.3662467 -0.0000000), wk = 0.0015385 k( 462) = ( -0.4292929 0.3706068 0.0000000), wk = 0.0015385 k( 463) = ( -0.4343434 0.3749669 -0.0000000), wk = 0.0015385 k( 464) = ( -0.4393939 0.3793270 0.0000000), wk = 0.0015385 k( 465) = ( -0.4444444 0.3836871 -0.0000000), wk = 0.0015385 k( 466) = ( -0.4494950 0.3880471 0.0000000), wk = 0.0015385 k( 467) = ( -0.4545455 0.3924072 -0.0000000), wk = 0.0015385 k( 468) = ( -0.4595960 0.3967673 0.0000000), wk = 0.0015385 k( 469) = ( -0.4646465 0.4011274 -0.0000000), wk = 0.0015385 k( 470) = ( -0.4696970 0.4054875 0.0000000), wk = 0.0015385 k( 471) = ( -0.4747475 0.4098475 0.0000000), wk = 0.0015385 k( 472) = ( -0.4797980 0.4142076 -0.0000000), wk = 0.0015385 k( 473) = ( -0.4848485 0.4185677 -0.0000000), wk = 0.0015385 k( 474) = ( -0.4898990 0.4229278 0.0000000), wk = 0.0015385 k( 475) = ( -0.4949495 0.4272879 -0.0000000), wk = 0.0015385 k( 476) = ( -0.5000000 0.4316479 0.0000000), wk = 0.0015385 k( 477) = ( -0.5000000 0.4316479 0.0000000), wk = 0.0015385 k( 478) = ( -0.4957547 0.4365655 -0.0000000), wk = 0.0015385 k( 479) = ( -0.4915093 0.4414831 -0.0000000), wk = 0.0015385 k( 480) = ( -0.4872640 0.4464007 -0.0000000), wk = 0.0015385 k( 481) = ( -0.4830186 0.4513183 -0.0000000), wk = 0.0015385 k( 482) = ( -0.4787733 0.4562359 -0.0000000), wk = 0.0015385 k( 483) = ( -0.4745280 0.4611535 -0.0000000), wk = 0.0015385 k( 484) = ( -0.4702826 0.4660711 -0.0000000), wk = 0.0015385 k( 485) = ( -0.4660373 0.4709887 -0.0000000), wk = 0.0015385 k( 486) = ( -0.4617920 0.4759063 -0.0000000), wk = 0.0015385 k( 487) = ( -0.4575466 0.4808239 -0.0000000), wk = 0.0015385 k( 488) = ( -0.4533013 0.4857415 -0.0000000), wk = 0.0015385 k( 489) = ( -0.4490560 0.4906590 -0.0000000), wk = 0.0015385 k( 490) = ( -0.4448106 0.4955766 -0.0000000), wk = 0.0015385 k( 491) = ( -0.4405653 0.5004942 -0.0000000), wk = 0.0015385 k( 492) = ( -0.4363199 0.5054118 -0.0000000), wk = 0.0015385 k( 493) = ( -0.4363199 0.5054118 -0.0000000), wk = 0.0015385 k( 494) = ( -0.4363199 0.5054118 0.0064086), wk = 0.0015385 k( 495) = ( -0.4363199 0.5054118 0.0128173), wk = 0.0015385 k( 496) = ( -0.4363199 0.5054118 0.0192259), wk = 0.0015385 k( 497) = ( -0.4363199 0.5054118 0.0256345), wk = 0.0015385 k( 498) = ( -0.4363199 0.5054118 0.0320432), wk = 0.0015385 k( 499) = ( -0.4363199 0.5054118 0.0384518), wk = 0.0015385 k( 500) = ( -0.4363199 0.5054118 0.0448604), wk = 0.0015385 k( 501) = ( -0.4363199 0.5054118 0.0512691), wk = 0.0015385 k( 502) = ( -0.4363199 0.5054118 0.0576777), wk = 0.0015385 k( 503) = ( -0.4363199 0.5054118 0.0640863), wk = 0.0015385 k( 504) = ( -0.4363199 0.5054118 0.0704950), wk = 0.0015385 k( 505) = ( -0.4363199 0.5054118 0.0769036), wk = 0.0015385 k( 506) = ( -0.4363199 0.5054118 0.0833122), wk = 0.0015385 k( 507) = ( -0.4363199 0.5054118 0.0897209), wk = 0.0015385 k( 508) = ( -0.4363199 0.5054118 0.0961295), wk = 0.0015385 k( 509) = ( -0.4363199 0.5054118 0.1025381), wk = 0.0015385 k( 510) = ( -0.4363199 0.5054118 0.1089468), wk = 0.0015385 k( 511) = ( -0.4363199 0.5054118 0.1153554), wk = 0.0015385 k( 512) = ( -0.4363199 0.5054118 0.1217640), wk = 0.0015385 k( 513) = ( -0.4363199 0.5054118 0.1281726), wk = 0.0015385 k( 514) = ( -0.4363199 0.5054118 0.1281726), wk = 0.0015385 k( 515) = ( -0.4405653 0.5004942 0.1281726), wk = 0.0015385 k( 516) = ( -0.4448106 0.4955766 0.1281726), wk = 0.0015385 k( 517) = ( -0.4490560 0.4906590 0.1281726), wk = 0.0015385 k( 518) = ( -0.4533013 0.4857415 0.1281726), wk = 0.0015385 k( 519) = ( -0.4575466 0.4808239 0.1281726), wk = 0.0015385 k( 520) = ( -0.4617920 0.4759063 0.1281726), wk = 0.0015385 k( 521) = ( -0.4660373 0.4709887 0.1281726), wk = 0.0015385 k( 522) = ( -0.4702826 0.4660711 0.1281726), wk = 0.0015385 k( 523) = ( -0.4745280 0.4611535 0.1281726), wk = 0.0015385 k( 524) = ( -0.4787733 0.4562359 0.1281726), wk = 0.0015385 k( 525) = ( -0.4830186 0.4513183 0.1281726), wk = 0.0015385 k( 526) = ( -0.4872640 0.4464007 0.1281726), wk = 0.0015385 k( 527) = ( -0.4915093 0.4414831 0.1281726), wk = 0.0015385 k( 528) = ( -0.4957547 0.4365655 0.1281726), wk = 0.0015385 k( 529) = ( -0.5000000 0.4316479 0.1281726), wk = 0.0015385 k( 530) = ( -0.5000000 0.4316479 0.1281726), wk = 0.0015385 k( 531) = ( -0.5000000 0.4316479 0.1217640), wk = 0.0015385 k( 532) = ( -0.5000000 0.4316479 0.1153554), wk = 0.0015385 k( 533) = ( -0.5000000 0.4316479 0.1089468), wk = 0.0015385 k( 534) = ( -0.5000000 0.4316479 0.1025381), wk = 0.0015385 k( 535) = ( -0.5000000 0.4316479 0.0961295), wk = 0.0015385 k( 536) = ( -0.5000000 0.4316479 0.0897209), wk = 0.0015385 k( 537) = ( -0.5000000 0.4316479 0.0833122), wk = 0.0015385 k( 538) = ( -0.5000000 0.4316479 0.0769036), wk = 0.0015385 k( 539) = ( -0.5000000 0.4316479 0.0704950), wk = 0.0015385 k( 540) = ( -0.5000000 0.4316479 0.0640863), wk = 0.0015385 k( 541) = ( -0.5000000 0.4316479 0.0576777), wk = 0.0015385 k( 542) = ( -0.5000000 0.4316479 0.0512691), wk = 0.0015385 k( 543) = ( -0.5000000 0.4316479 0.0448604), wk = 0.0015385 k( 544) = ( -0.5000000 0.4316479 0.0384518), wk = 0.0015385 k( 545) = ( -0.5000000 0.4316479 0.0320432), wk = 0.0015385 k( 546) = ( -0.5000000 0.4316479 0.0256345), wk = 0.0015385 k( 547) = ( -0.5000000 0.4316479 0.0192259), wk = 0.0015385 k( 548) = ( -0.5000000 0.4316479 0.0128173), wk = 0.0015385 k( 549) = ( -0.5000000 0.4316479 0.0064086), wk = 0.0015385 k( 550) = ( -0.5000000 0.4316479 0.0000000), wk = 0.0015385 k( 551) = ( 0.0000000 0.0000000 0.1281726), wk = 0.0015385 k( 552) = ( -0.0050505 0.0043601 0.1281726), wk = 0.0015385 k( 553) = ( -0.0101010 0.0087202 0.1281726), wk = 0.0015385 k( 554) = ( -0.0151515 0.0130802 0.1281726), wk = 0.0015385 k( 555) = ( -0.0202020 0.0174403 0.1281726), wk = 0.0015385 k( 556) = ( -0.0252525 0.0218004 0.1281726), wk = 0.0015385 k( 557) = ( -0.0303030 0.0261605 0.1281726), wk = 0.0015385 k( 558) = ( -0.0353535 0.0305206 0.1281726), wk = 0.0015385 k( 559) = ( -0.0404040 0.0348806 0.1281726), wk = 0.0015385 k( 560) = ( -0.0454546 0.0392407 0.1281726), wk = 0.0015385 k( 561) = ( -0.0505051 0.0436008 0.1281726), wk = 0.0015385 k( 562) = ( -0.0555556 0.0479609 0.1281726), wk = 0.0015385 k( 563) = ( -0.0606061 0.0523210 0.1281726), wk = 0.0015385 k( 564) = ( -0.0656566 0.0566810 0.1281726), wk = 0.0015385 k( 565) = ( -0.0707071 0.0610411 0.1281726), wk = 0.0015385 k( 566) = ( -0.0757576 0.0654012 0.1281726), wk = 0.0015385 k( 567) = ( -0.0808081 0.0697613 0.1281726), wk = 0.0015385 k( 568) = ( -0.0858586 0.0741214 0.1281726), wk = 0.0015385 k( 569) = ( -0.0909091 0.0784814 0.1281726), wk = 0.0015385 k( 570) = ( -0.0959596 0.0828415 0.1281726), wk = 0.0015385 k( 571) = ( -0.1010101 0.0872016 0.1281726), wk = 0.0015385 k( 572) = ( -0.1060606 0.0915617 0.1281726), wk = 0.0015385 k( 573) = ( -0.1111111 0.0959218 0.1281726), wk = 0.0015385 k( 574) = ( -0.1161616 0.1002818 0.1281726), wk = 0.0015385 k( 575) = ( -0.1212121 0.1046419 0.1281726), wk = 0.0015385 k( 576) = ( -0.1262626 0.1090020 0.1281726), wk = 0.0015385 k( 577) = ( -0.1313131 0.1133621 0.1281726), wk = 0.0015385 k( 578) = ( -0.1363636 0.1177222 0.1281726), wk = 0.0015385 k( 579) = ( -0.1414141 0.1220822 0.1281726), wk = 0.0015385 k( 580) = ( -0.1464647 0.1264423 0.1281726), wk = 0.0015385 k( 581) = ( -0.1515151 0.1308024 0.1281726), wk = 0.0015385 k( 582) = ( -0.1565657 0.1351625 0.1281726), wk = 0.0015385 k( 583) = ( -0.1616162 0.1395226 0.1281726), wk = 0.0015385 k( 584) = ( -0.1666667 0.1438826 0.1281726), wk = 0.0015385 k( 585) = ( -0.1717172 0.1482427 0.1281726), wk = 0.0015385 k( 586) = ( -0.1767677 0.1526028 0.1281726), wk = 0.0015385 k( 587) = ( -0.1818182 0.1569629 0.1281726), wk = 0.0015385 k( 588) = ( -0.1868687 0.1613230 0.1281726), wk = 0.0015385 k( 589) = ( -0.1919192 0.1656830 0.1281726), wk = 0.0015385 k( 590) = ( -0.1969697 0.1700431 0.1281726), wk = 0.0015385 k( 591) = ( -0.2020202 0.1744032 0.1281726), wk = 0.0015385 k( 592) = ( -0.2070707 0.1787633 0.1281726), wk = 0.0015385 k( 593) = ( -0.2121212 0.1831234 0.1281726), wk = 0.0015385 k( 594) = ( -0.2171717 0.1874835 0.1281726), wk = 0.0015385 k( 595) = ( -0.2222222 0.1918435 0.1281726), wk = 0.0015385 k( 596) = ( -0.2272727 0.1962036 0.1281726), wk = 0.0015385 k( 597) = ( -0.2323232 0.2005637 0.1281726), wk = 0.0015385 k( 598) = ( -0.2373737 0.2049238 0.1281726), wk = 0.0015385 k( 599) = ( -0.2424242 0.2092838 0.1281726), wk = 0.0015385 k( 600) = ( -0.2474747 0.2136439 0.1281726), wk = 0.0015385 k( 601) = ( -0.2525252 0.2180040 0.1281726), wk = 0.0015385 k( 602) = ( -0.2575758 0.2223641 0.1281726), wk = 0.0015385 k( 603) = ( -0.2626263 0.2267242 0.1281726), wk = 0.0015385 k( 604) = ( -0.2676768 0.2310843 0.1281726), wk = 0.0015385 k( 605) = ( -0.2727273 0.2354443 0.1281726), wk = 0.0015385 k( 606) = ( -0.2777778 0.2398044 0.1281726), wk = 0.0015385 k( 607) = ( -0.2828283 0.2441645 0.1281726), wk = 0.0015385 k( 608) = ( -0.2878788 0.2485246 0.1281726), wk = 0.0015385 k( 609) = ( -0.2929293 0.2528846 0.1281726), wk = 0.0015385 k( 610) = ( -0.2979798 0.2572447 0.1281726), wk = 0.0015385 k( 611) = ( -0.3030303 0.2616048 0.1281726), wk = 0.0015385 k( 612) = ( -0.3080808 0.2659649 0.1281726), wk = 0.0015385 k( 613) = ( -0.3131313 0.2703250 0.1281726), wk = 0.0015385 k( 614) = ( -0.3181818 0.2746851 0.1281726), wk = 0.0015385 k( 615) = ( -0.3232323 0.2790451 0.1281726), wk = 0.0015385 k( 616) = ( -0.3282828 0.2834052 0.1281726), wk = 0.0015385 k( 617) = ( -0.3333333 0.2877653 0.1281726), wk = 0.0015385 k( 618) = ( -0.3383838 0.2921254 0.1281726), wk = 0.0015385 k( 619) = ( -0.3434343 0.2964855 0.1281726), wk = 0.0015385 k( 620) = ( -0.3484849 0.3008455 0.1281726), wk = 0.0015385 k( 621) = ( -0.3535354 0.3052056 0.1281726), wk = 0.0015385 k( 622) = ( -0.3585859 0.3095657 0.1281726), wk = 0.0015385 k( 623) = ( -0.3636364 0.3139258 0.1281726), wk = 0.0015385 k( 624) = ( -0.3686869 0.3182859 0.1281726), wk = 0.0015385 k( 625) = ( -0.3737374 0.3226459 0.1281726), wk = 0.0015385 k( 626) = ( -0.3787879 0.3270060 0.1281726), wk = 0.0015385 k( 627) = ( -0.3838384 0.3313661 0.1281726), wk = 0.0015385 k( 628) = ( -0.3888889 0.3357262 0.1281726), wk = 0.0015385 k( 629) = ( -0.3939394 0.3400863 0.1281726), wk = 0.0015385 k( 630) = ( -0.3989899 0.3444463 0.1281726), wk = 0.0015385 k( 631) = ( -0.4040404 0.3488064 0.1281726), wk = 0.0015385 k( 632) = ( -0.4090909 0.3531665 0.1281726), wk = 0.0015385 k( 633) = ( -0.4141414 0.3575266 0.1281726), wk = 0.0015385 k( 634) = ( -0.4191919 0.3618867 0.1281726), wk = 0.0015385 k( 635) = ( -0.4242424 0.3662467 0.1281726), wk = 0.0015385 k( 636) = ( -0.4292929 0.3706068 0.1281726), wk = 0.0015385 k( 637) = ( -0.4343434 0.3749669 0.1281726), wk = 0.0015385 k( 638) = ( -0.4393939 0.3793270 0.1281726), wk = 0.0015385 k( 639) = ( -0.4444444 0.3836871 0.1281726), wk = 0.0015385 k( 640) = ( -0.4494950 0.3880471 0.1281726), wk = 0.0015385 k( 641) = ( -0.4545455 0.3924072 0.1281726), wk = 0.0015385 k( 642) = ( -0.4595960 0.3967673 0.1281726), wk = 0.0015385 k( 643) = ( -0.4646465 0.4011274 0.1281726), wk = 0.0015385 k( 644) = ( -0.4696970 0.4054875 0.1281726), wk = 0.0015385 k( 645) = ( -0.4747475 0.4098475 0.1281726), wk = 0.0015385 k( 646) = ( -0.4797980 0.4142076 0.1281726), wk = 0.0015385 k( 647) = ( -0.4848485 0.4185677 0.1281726), wk = 0.0015385 k( 648) = ( -0.4898990 0.4229278 0.1281726), wk = 0.0015385 k( 649) = ( -0.4949495 0.4272879 0.1281726), wk = 0.0015385 k( 650) = ( -0.5000000 0.4316479 0.1281726), wk = 0.0015385 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 2) = ( 0.0043632 0.0043632 0.0000000), wk = 0.0015385 k( 3) = ( 0.0087264 0.0087264 0.0000000), wk = 0.0015385 k( 4) = ( 0.0130896 0.0130896 0.0000000), wk = 0.0015385 k( 5) = ( 0.0174528 0.0174528 0.0000000), wk = 0.0015385 k( 6) = ( 0.0218160 0.0218160 0.0000000), wk = 0.0015385 k( 7) = ( 0.0261792 0.0261792 0.0000000), wk = 0.0015385 k( 8) = ( 0.0305424 0.0305424 -0.0000000), wk = 0.0015385 k( 9) = ( 0.0349056 0.0349056 0.0000000), wk = 0.0015385 k( 10) = ( 0.0392688 0.0392688 0.0000000), wk = 0.0015385 k( 11) = ( 0.0436320 0.0436320 -0.0000000), wk = 0.0015385 k( 12) = ( 0.0479952 0.0479952 0.0000000), wk = 0.0015385 k( 13) = ( 0.0523584 0.0523584 0.0000000), wk = 0.0015385 k( 14) = ( 0.0567216 0.0567216 -0.0000000), wk = 0.0015385 k( 15) = ( 0.0610848 0.0610848 -0.0000000), wk = 0.0015385 k( 16) = ( 0.0654480 0.0654480 0.0000000), wk = 0.0015385 k( 17) = ( 0.0698112 0.0698112 0.0000000), wk = 0.0015385 k( 18) = ( 0.0741744 0.0741744 0.0000000), wk = 0.0015385 k( 19) = ( 0.0785376 0.0785376 0.0000000), wk = 0.0015385 k( 20) = ( 0.0829008 0.0829008 0.0000000), wk = 0.0015385 k( 21) = ( 0.0872640 0.0872640 -0.0000000), wk = 0.0015385 k( 22) = ( 0.0916272 0.0916272 0.0000000), wk = 0.0015385 k( 23) = ( 0.0959904 0.0959904 0.0000000), wk = 0.0015385 k( 24) = ( 0.1003536 0.1003536 0.0000000), wk = 0.0015385 k( 25) = ( 0.1047168 0.1047168 0.0000000), wk = 0.0015385 k( 26) = ( 0.1090800 0.1090800 -0.0000000), wk = 0.0015385 k( 27) = ( 0.1134432 0.1134432 0.0000000), wk = 0.0015385 k( 28) = ( 0.1178064 0.1178064 0.0000000), wk = 0.0015385 k( 29) = ( 0.1221696 0.1221696 -0.0000000), wk = 0.0015385 k( 30) = ( 0.1265328 0.1265328 0.0000000), wk = 0.0015385 k( 31) = ( 0.1308960 0.1308960 0.0000000), wk = 0.0015385 k( 32) = ( 0.1352592 0.1352592 0.0000000), wk = 0.0015385 k( 33) = ( 0.1396224 0.1396224 0.0000000), wk = 0.0015385 k( 34) = ( 0.1439856 0.1439856 -0.0000000), wk = 0.0015385 k( 35) = ( 0.1483488 0.1483488 0.0000000), wk = 0.0015385 k( 36) = ( 0.1527120 0.1527120 0.0000000), wk = 0.0015385 k( 37) = ( 0.1570752 0.1570752 0.0000000), wk = 0.0015385 k( 38) = ( 0.1614384 0.1614384 0.0000000), wk = 0.0015385 k( 39) = ( 0.1658016 0.1658016 0.0000000), wk = 0.0015385 k( 40) = ( 0.1701648 0.1701648 -0.0000000), wk = 0.0015385 k( 41) = ( 0.1745280 0.1745280 -0.0000000), wk = 0.0015385 k( 42) = ( 0.1788912 0.1788912 0.0000000), wk = 0.0015385 k( 43) = ( 0.1832544 0.1832544 0.0000000), wk = 0.0015385 k( 44) = ( 0.1876176 0.1876176 0.0000000), wk = 0.0015385 k( 45) = ( 0.1919808 0.1919808 0.0000000), wk = 0.0015385 k( 46) = ( 0.1963440 0.1963440 0.0000000), wk = 0.0015385 k( 47) = ( 0.2007072 0.2007072 0.0000000), wk = 0.0015385 k( 48) = ( 0.2050704 0.2050704 0.0000000), wk = 0.0015385 k( 49) = ( 0.2094336 0.2094336 0.0000000), wk = 0.0015385 k( 50) = ( 0.2137968 0.2137968 0.0000000), wk = 0.0015385 k( 51) = ( 0.2181600 0.2181600 0.0000000), wk = 0.0015385 k( 52) = ( 0.2225232 0.2225232 -0.0000000), wk = 0.0015385 k( 53) = ( 0.2268864 0.2268864 0.0000000), wk = 0.0015385 k( 54) = ( 0.2312496 0.2312496 -0.0000000), wk = 0.0015385 k( 55) = ( 0.2356128 0.2356128 0.0000000), wk = 0.0015385 k( 56) = ( 0.2399760 0.2399760 0.0000000), wk = 0.0015385 k( 57) = ( 0.2443392 0.2443392 -0.0000000), wk = 0.0015385 k( 58) = ( 0.2487024 0.2487024 -0.0000000), wk = 0.0015385 k( 59) = ( 0.2530656 0.2530656 -0.0000000), wk = 0.0015385 k( 60) = ( 0.2574288 0.2574288 0.0000000), wk = 0.0015385 k( 61) = ( 0.2617920 0.2617920 -0.0000000), wk = 0.0015385 k( 62) = ( 0.2661552 0.2661552 0.0000000), wk = 0.0015385 k( 63) = ( 0.2705184 0.2705184 0.0000000), wk = 0.0015385 k( 64) = ( 0.2748816 0.2748816 0.0000000), wk = 0.0015385 k( 65) = ( 0.2792448 0.2792448 0.0000000), wk = 0.0015385 k( 66) = ( 0.2836080 0.2836080 -0.0000000), wk = 0.0015385 k( 67) = ( 0.2879712 0.2879712 -0.0000000), wk = 0.0015385 k( 68) = ( 0.2923344 0.2923344 -0.0000000), wk = 0.0015385 k( 69) = ( 0.2966976 0.2966976 0.0000000), wk = 0.0015385 k( 70) = ( 0.3010608 0.3010608 0.0000000), wk = 0.0015385 k( 71) = ( 0.3054240 0.3054240 0.0000000), wk = 0.0015385 k( 72) = ( 0.3097872 0.3097872 -0.0000000), wk = 0.0015385 k( 73) = ( 0.3141504 0.3141504 0.0000000), wk = 0.0015385 k( 74) = ( 0.3185136 0.3185136 0.0000000), wk = 0.0015385 k( 75) = ( 0.3228768 0.3228768 0.0000000), wk = 0.0015385 k( 76) = ( 0.3272400 0.3272400 0.0000000), wk = 0.0015385 k( 77) = ( 0.3316032 0.3316032 0.0000000), wk = 0.0015385 k( 78) = ( 0.3359664 0.3359664 0.0000000), wk = 0.0015385 k( 79) = ( 0.3403296 0.3403296 -0.0000000), wk = 0.0015385 k( 80) = ( 0.3446928 0.3446928 0.0000000), wk = 0.0015385 k( 81) = ( 0.3490560 0.3490560 -0.0000000), wk = 0.0015385 k( 82) = ( 0.3534192 0.3534192 0.0000000), wk = 0.0015385 k( 83) = ( 0.3577824 0.3577824 0.0000000), wk = 0.0015385 k( 84) = ( 0.3621455 0.3621456 0.0000000), wk = 0.0015385 k( 85) = ( 0.3665087 0.3665087 0.0000000), wk = 0.0015385 k( 86) = ( 0.3708720 0.3708720 0.0000000), wk = 0.0015385 k( 87) = ( 0.3752352 0.3752352 0.0000000), wk = 0.0015385 k( 88) = ( 0.3795983 0.3795983 -0.0000000), wk = 0.0015385 k( 89) = ( 0.3839615 0.3839616 -0.0000000), wk = 0.0015385 k( 90) = ( 0.3883247 0.3883247 0.0000000), wk = 0.0015385 k( 91) = ( 0.3926880 0.3926880 0.0000000), wk = 0.0015385 k( 92) = ( 0.3970512 0.3970512 0.0000000), wk = 0.0015385 k( 93) = ( 0.4014143 0.4014143 -0.0000000), wk = 0.0015385 k( 94) = ( 0.4057775 0.4057776 0.0000000), wk = 0.0015385 k( 95) = ( 0.4101407 0.4101407 -0.0000000), wk = 0.0015385 k( 96) = ( 0.4145040 0.4145040 0.0000000), wk = 0.0015385 k( 97) = ( 0.4188672 0.4188672 0.0000000), wk = 0.0015385 k( 98) = ( 0.4232303 0.4232303 0.0000000), wk = 0.0015385 k( 99) = ( 0.4275935 0.4275936 0.0000000), wk = 0.0015385 k( 100) = ( 0.4319567 0.4319567 0.0000000), wk = 0.0015385 k( 101) = ( 0.4363199 0.4363199 0.0000000), wk = 0.0015385 k( 102) = ( 0.4363199 0.4363199 0.0000000), wk = 0.0015385 k( 103) = ( 0.4296073 0.4372996 0.0000000), wk = 0.0015385 k( 104) = ( 0.4228947 0.4382793 0.0000000), wk = 0.0015385 k( 105) = ( 0.4161821 0.4392590 -0.0000000), wk = 0.0015385 k( 106) = ( 0.4094695 0.4402387 0.0000000), wk = 0.0015385 k( 107) = ( 0.4027569 0.4412184 0.0000000), wk = 0.0015385 k( 108) = ( 0.3960443 0.4421981 0.0000000), wk = 0.0015385 k( 109) = ( 0.3893316 0.4431778 0.0000000), wk = 0.0015385 k( 110) = ( 0.3826190 0.4441575 0.0000000), wk = 0.0015385 k( 111) = ( 0.3759064 0.4451372 -0.0000000), wk = 0.0015385 k( 112) = ( 0.3691938 0.4461169 0.0000000), wk = 0.0015385 k( 113) = ( 0.3624812 0.4470966 0.0000000), wk = 0.0015385 k( 114) = ( 0.3557686 0.4480763 0.0000000), wk = 0.0015385 k( 115) = ( 0.3490560 0.4490560 0.0000000), wk = 0.0015385 k( 116) = ( 0.3423433 0.4500356 -0.0000000), wk = 0.0015385 k( 117) = ( 0.3356307 0.4510153 0.0000000), wk = 0.0015385 k( 118) = ( 0.3289181 0.4519950 0.0000000), wk = 0.0015385 k( 119) = ( 0.3222055 0.4529747 0.0000000), wk = 0.0015385 k( 120) = ( 0.3154929 0.4539544 -0.0000000), wk = 0.0015385 k( 121) = ( 0.3087803 0.4549341 -0.0000000), wk = 0.0015385 k( 122) = ( 0.3020677 0.4559138 -0.0000000), wk = 0.0015385 k( 123) = ( 0.2953550 0.4568935 0.0000000), wk = 0.0015385 k( 124) = ( 0.2886424 0.4578732 0.0000000), wk = 0.0015385 k( 125) = ( 0.2819298 0.4588529 0.0000000), wk = 0.0015385 k( 126) = ( 0.2752172 0.4598326 0.0000000), wk = 0.0015385 k( 127) = ( 0.2685046 0.4608123 0.0000000), wk = 0.0015385 k( 128) = ( 0.2617920 0.4617920 0.0000000), wk = 0.0015385 k( 129) = ( 0.2550793 0.4627717 0.0000000), wk = 0.0015385 k( 130) = ( 0.2483667 0.4637513 -0.0000000), wk = 0.0015385 k( 131) = ( 0.2416541 0.4647310 0.0000000), wk = 0.0015385 k( 132) = ( 0.2349415 0.4657107 0.0000000), wk = 0.0015385 k( 133) = ( 0.2282289 0.4666904 0.0000000), wk = 0.0015385 k( 134) = ( 0.2215163 0.4676701 -0.0000000), wk = 0.0015385 k( 135) = ( 0.2148037 0.4686498 0.0000000), wk = 0.0015385 k( 136) = ( 0.2080910 0.4696295 0.0000000), wk = 0.0015385 k( 137) = ( 0.2013784 0.4706092 0.0000000), wk = 0.0015385 k( 138) = ( 0.1946658 0.4715889 0.0000000), wk = 0.0015385 k( 139) = ( 0.1879532 0.4725686 0.0000000), wk = 0.0015385 k( 140) = ( 0.1812406 0.4735483 0.0000000), wk = 0.0015385 k( 141) = ( 0.1745280 0.4745280 0.0000000), wk = 0.0015385 k( 142) = ( 0.1678154 0.4755077 -0.0000000), wk = 0.0015385 k( 143) = ( 0.1611027 0.4764874 -0.0000000), wk = 0.0015385 k( 144) = ( 0.1543901 0.4774671 0.0000000), wk = 0.0015385 k( 145) = ( 0.1476775 0.4784468 0.0000000), wk = 0.0015385 k( 146) = ( 0.1409649 0.4794264 0.0000000), wk = 0.0015385 k( 147) = ( 0.1342523 0.4804061 -0.0000000), wk = 0.0015385 k( 148) = ( 0.1275397 0.4813858 0.0000000), wk = 0.0015385 k( 149) = ( 0.1208271 0.4823655 0.0000000), wk = 0.0015385 k( 150) = ( 0.1141145 0.4833452 -0.0000000), wk = 0.0015385 k( 151) = ( 0.1074018 0.4843249 0.0000000), wk = 0.0015385 k( 152) = ( 0.1006892 0.4853046 0.0000000), wk = 0.0015385 k( 153) = ( 0.0939766 0.4862843 0.0000000), wk = 0.0015385 k( 154) = ( 0.0872640 0.4872640 0.0000000), wk = 0.0015385 k( 155) = ( 0.0805514 0.4882437 0.0000000), wk = 0.0015385 k( 156) = ( 0.0738388 0.4892234 0.0000000), wk = 0.0015385 k( 157) = ( 0.0671261 0.4902031 0.0000000), wk = 0.0015385 k( 158) = ( 0.0604135 0.4911828 -0.0000000), wk = 0.0015385 k( 159) = ( 0.0537009 0.4921625 0.0000000), wk = 0.0015385 k( 160) = ( 0.0469883 0.4931422 0.0000000), wk = 0.0015385 k( 161) = ( 0.0402757 0.4941218 -0.0000000), wk = 0.0015385 k( 162) = ( 0.0335631 0.4951015 0.0000000), wk = 0.0015385 k( 163) = ( 0.0268505 0.4960812 0.0000000), wk = 0.0015385 k( 164) = ( 0.0201378 0.4970609 0.0000000), wk = 0.0015385 k( 165) = ( 0.0134252 0.4980406 0.0000000), wk = 0.0015385 k( 166) = ( 0.0067126 0.4990203 0.0000000), wk = 0.0015385 k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0015385 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0015385 k( 169) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0015385 k( 170) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0015385 k( 171) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0015385 k( 172) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0015385 k( 173) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0015385 k( 174) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0015385 k( 175) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0015385 k( 176) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0015385 k( 177) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0015385 k( 178) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0015385 k( 179) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0015385 k( 180) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0015385 k( 181) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0015385 k( 182) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0015385 k( 183) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0015385 k( 184) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0015385 k( 185) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0015385 k( 186) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0015385 k( 187) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0015385 k( 188) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015385 k( 189) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015385 k( 190) = ( 0.0067126 0.4990203 0.5000000), wk = 0.0015385 k( 191) = ( 0.0134252 0.4980406 0.5000000), wk = 0.0015385 k( 192) = ( 0.0201378 0.4970609 0.5000000), wk = 0.0015385 k( 193) = ( 0.0268505 0.4960812 0.5000000), wk = 0.0015385 k( 194) = ( 0.0335631 0.4951015 0.5000000), wk = 0.0015385 k( 195) = ( 0.0402757 0.4941218 0.5000000), wk = 0.0015385 k( 196) = ( 0.0469883 0.4931422 0.5000000), wk = 0.0015385 k( 197) = ( 0.0537009 0.4921625 0.5000000), wk = 0.0015385 k( 198) = ( 0.0604135 0.4911828 0.5000000), wk = 0.0015385 k( 199) = ( 0.0671261 0.4902031 0.5000000), wk = 0.0015385 k( 200) = ( 0.0738388 0.4892234 0.5000000), wk = 0.0015385 k( 201) = ( 0.0805514 0.4882437 0.5000000), wk = 0.0015385 k( 202) = ( 0.0872640 0.4872640 0.5000000), wk = 0.0015385 k( 203) = ( 0.0939766 0.4862843 0.5000000), wk = 0.0015385 k( 204) = ( 0.1006892 0.4853046 0.5000000), wk = 0.0015385 k( 205) = ( 0.1074018 0.4843249 0.5000000), wk = 0.0015385 k( 206) = ( 0.1141145 0.4833452 0.5000000), wk = 0.0015385 k( 207) = ( 0.1208271 0.4823655 0.5000000), wk = 0.0015385 k( 208) = ( 0.1275397 0.4813858 0.5000000), wk = 0.0015385 k( 209) = ( 0.1342523 0.4804061 0.5000000), wk = 0.0015385 k( 210) = ( 0.1409649 0.4794264 0.5000000), wk = 0.0015385 k( 211) = ( 0.1476775 0.4784468 0.5000000), wk = 0.0015385 k( 212) = ( 0.1543901 0.4774671 0.5000000), wk = 0.0015385 k( 213) = ( 0.1611027 0.4764874 0.5000000), wk = 0.0015385 k( 214) = ( 0.1678154 0.4755077 0.5000000), wk = 0.0015385 k( 215) = ( 0.1745280 0.4745280 0.5000000), wk = 0.0015385 k( 216) = ( 0.1812406 0.4735483 0.5000000), wk = 0.0015385 k( 217) = ( 0.1879532 0.4725686 0.5000000), wk = 0.0015385 k( 218) = ( 0.1946658 0.4715889 0.5000000), wk = 0.0015385 k( 219) = ( 0.2013784 0.4706092 0.5000000), wk = 0.0015385 k( 220) = ( 0.2080910 0.4696295 0.5000000), wk = 0.0015385 k( 221) = ( 0.2148037 0.4686498 0.5000000), wk = 0.0015385 k( 222) = ( 0.2215163 0.4676701 0.5000000), wk = 0.0015385 k( 223) = ( 0.2282289 0.4666904 0.5000000), wk = 0.0015385 k( 224) = ( 0.2349415 0.4657107 0.5000000), wk = 0.0015385 k( 225) = ( 0.2416541 0.4647310 0.5000000), wk = 0.0015385 k( 226) = ( 0.2483667 0.4637513 0.5000000), wk = 0.0015385 k( 227) = ( 0.2550793 0.4627717 0.5000000), wk = 0.0015385 k( 228) = ( 0.2617920 0.4617920 0.5000000), wk = 0.0015385 k( 229) = ( 0.2685046 0.4608123 0.5000000), wk = 0.0015385 k( 230) = ( 0.2752172 0.4598326 0.5000000), wk = 0.0015385 k( 231) = ( 0.2819298 0.4588529 0.5000000), wk = 0.0015385 k( 232) = ( 0.2886424 0.4578732 0.5000000), wk = 0.0015385 k( 233) = ( 0.2953550 0.4568935 0.5000000), wk = 0.0015385 k( 234) = ( 0.3020677 0.4559138 0.5000000), wk = 0.0015385 k( 235) = ( 0.3087803 0.4549341 0.5000000), wk = 0.0015385 k( 236) = ( 0.3154929 0.4539544 0.5000000), wk = 0.0015385 k( 237) = ( 0.3222055 0.4529747 0.5000000), wk = 0.0015385 k( 238) = ( 0.3289181 0.4519950 0.5000000), wk = 0.0015385 k( 239) = ( 0.3356307 0.4510153 0.5000000), wk = 0.0015385 k( 240) = ( 0.3423433 0.4500356 0.5000000), wk = 0.0015385 k( 241) = ( 0.3490560 0.4490560 0.5000000), wk = 0.0015385 k( 242) = ( 0.3557686 0.4480763 0.5000000), wk = 0.0015385 k( 243) = ( 0.3624812 0.4470966 0.5000000), wk = 0.0015385 k( 244) = ( 0.3691938 0.4461169 0.5000000), wk = 0.0015385 k( 245) = ( 0.3759064 0.4451372 0.5000000), wk = 0.0015385 k( 246) = ( 0.3826190 0.4441575 0.5000000), wk = 0.0015385 k( 247) = ( 0.3893316 0.4431778 0.5000000), wk = 0.0015385 k( 248) = ( 0.3960443 0.4421981 0.5000000), wk = 0.0015385 k( 249) = ( 0.4027569 0.4412184 0.5000000), wk = 0.0015385 k( 250) = ( 0.4094695 0.4402387 0.5000000), wk = 0.0015385 k( 251) = ( 0.4161821 0.4392590 0.5000000), wk = 0.0015385 k( 252) = ( 0.4228947 0.4382793 0.5000000), wk = 0.0015385 k( 253) = ( 0.4296073 0.4372996 0.5000000), wk = 0.0015385 k( 254) = ( 0.4363199 0.4363199 0.5000000), wk = 0.0015385 k( 255) = ( 0.4363199 0.4363199 0.5000000), wk = 0.0015385 k( 256) = ( 0.4319567 0.4319567 0.5000000), wk = 0.0015385 k( 257) = ( 0.4275935 0.4275936 0.5000000), wk = 0.0015385 k( 258) = ( 0.4232303 0.4232303 0.5000000), wk = 0.0015385 k( 259) = ( 0.4188672 0.4188672 0.5000000), wk = 0.0015385 k( 260) = ( 0.4145040 0.4145040 0.5000000), wk = 0.0015385 k( 261) = ( 0.4101407 0.4101407 0.5000000), wk = 0.0015385 k( 262) = ( 0.4057775 0.4057776 0.5000000), wk = 0.0015385 k( 263) = ( 0.4014143 0.4014143 0.5000000), wk = 0.0015385 k( 264) = ( 0.3970512 0.3970512 0.5000000), wk = 0.0015385 k( 265) = ( 0.3926880 0.3926880 0.5000000), wk = 0.0015385 k( 266) = ( 0.3883247 0.3883247 0.5000000), wk = 0.0015385 k( 267) = ( 0.3839615 0.3839616 0.5000000), wk = 0.0015385 k( 268) = ( 0.3795983 0.3795983 0.5000000), wk = 0.0015385 k( 269) = ( 0.3752352 0.3752352 0.5000000), wk = 0.0015385 k( 270) = ( 0.3708720 0.3708720 0.5000000), wk = 0.0015385 k( 271) = ( 0.3665087 0.3665087 0.5000000), wk = 0.0015385 k( 272) = ( 0.3621455 0.3621456 0.5000000), wk = 0.0015385 k( 273) = ( 0.3577824 0.3577824 0.5000000), wk = 0.0015385 k( 274) = ( 0.3534192 0.3534192 0.5000000), wk = 0.0015385 k( 275) = ( 0.3490560 0.3490560 0.5000000), wk = 0.0015385 k( 276) = ( 0.3446928 0.3446928 0.5000000), wk = 0.0015385 k( 277) = ( 0.3403296 0.3403296 0.5000000), wk = 0.0015385 k( 278) = ( 0.3359664 0.3359664 0.5000000), wk = 0.0015385 k( 279) = ( 0.3316032 0.3316032 0.5000000), wk = 0.0015385 k( 280) = ( 0.3272400 0.3272400 0.5000000), wk = 0.0015385 k( 281) = ( 0.3228768 0.3228768 0.5000000), wk = 0.0015385 k( 282) = ( 0.3185136 0.3185136 0.5000000), wk = 0.0015385 k( 283) = ( 0.3141504 0.3141504 0.5000000), wk = 0.0015385 k( 284) = ( 0.3097872 0.3097872 0.5000000), wk = 0.0015385 k( 285) = ( 0.3054240 0.3054240 0.5000000), wk = 0.0015385 k( 286) = ( 0.3010608 0.3010608 0.5000000), wk = 0.0015385 k( 287) = ( 0.2966976 0.2966976 0.5000000), wk = 0.0015385 k( 288) = ( 0.2923344 0.2923344 0.5000000), wk = 0.0015385 k( 289) = ( 0.2879712 0.2879712 0.5000000), wk = 0.0015385 k( 290) = ( 0.2836080 0.2836080 0.5000000), wk = 0.0015385 k( 291) = ( 0.2792448 0.2792448 0.5000000), wk = 0.0015385 k( 292) = ( 0.2748816 0.2748816 0.5000000), wk = 0.0015385 k( 293) = ( 0.2705184 0.2705184 0.5000000), wk = 0.0015385 k( 294) = ( 0.2661552 0.2661552 0.5000000), wk = 0.0015385 k( 295) = ( 0.2617920 0.2617920 0.5000000), wk = 0.0015385 k( 296) = ( 0.2574288 0.2574288 0.5000000), wk = 0.0015385 k( 297) = ( 0.2530656 0.2530656 0.5000000), wk = 0.0015385 k( 298) = ( 0.2487024 0.2487024 0.5000000), wk = 0.0015385 k( 299) = ( 0.2443392 0.2443392 0.5000000), wk = 0.0015385 k( 300) = ( 0.2399760 0.2399760 0.5000000), wk = 0.0015385 k( 301) = ( 0.2356128 0.2356128 0.5000000), wk = 0.0015385 k( 302) = ( 0.2312496 0.2312496 0.5000000), wk = 0.0015385 k( 303) = ( 0.2268864 0.2268864 0.5000000), wk = 0.0015385 k( 304) = ( 0.2225232 0.2225232 0.5000000), wk = 0.0015385 k( 305) = ( 0.2181600 0.2181600 0.5000000), wk = 0.0015385 k( 306) = ( 0.2137968 0.2137968 0.5000000), wk = 0.0015385 k( 307) = ( 0.2094336 0.2094336 0.5000000), wk = 0.0015385 k( 308) = ( 0.2050704 0.2050704 0.5000000), wk = 0.0015385 k( 309) = ( 0.2007072 0.2007072 0.5000000), wk = 0.0015385 k( 310) = ( 0.1963440 0.1963440 0.5000000), wk = 0.0015385 k( 311) = ( 0.1919808 0.1919808 0.5000000), wk = 0.0015385 k( 312) = ( 0.1876176 0.1876176 0.5000000), wk = 0.0015385 k( 313) = ( 0.1832544 0.1832544 0.5000000), wk = 0.0015385 k( 314) = ( 0.1788912 0.1788912 0.5000000), wk = 0.0015385 k( 315) = ( 0.1745280 0.1745280 0.5000000), wk = 0.0015385 k( 316) = ( 0.1701648 0.1701648 0.5000000), wk = 0.0015385 k( 317) = ( 0.1658016 0.1658016 0.5000000), wk = 0.0015385 k( 318) = ( 0.1614384 0.1614384 0.5000000), wk = 0.0015385 k( 319) = ( 0.1570752 0.1570752 0.5000000), wk = 0.0015385 k( 320) = ( 0.1527120 0.1527120 0.5000000), wk = 0.0015385 k( 321) = ( 0.1483488 0.1483488 0.5000000), wk = 0.0015385 k( 322) = ( 0.1439856 0.1439856 0.5000000), wk = 0.0015385 k( 323) = ( 0.1396224 0.1396224 0.5000000), wk = 0.0015385 k( 324) = ( 0.1352592 0.1352592 0.5000000), wk = 0.0015385 k( 325) = ( 0.1308960 0.1308960 0.5000000), wk = 0.0015385 k( 326) = ( 0.1265328 0.1265328 0.5000000), wk = 0.0015385 k( 327) = ( 0.1221696 0.1221696 0.5000000), wk = 0.0015385 k( 328) = ( 0.1178064 0.1178064 0.5000000), wk = 0.0015385 k( 329) = ( 0.1134432 0.1134432 0.5000000), wk = 0.0015385 k( 330) = ( 0.1090800 0.1090800 0.5000000), wk = 0.0015385 k( 331) = ( 0.1047168 0.1047168 0.5000000), wk = 0.0015385 k( 332) = ( 0.1003536 0.1003536 0.5000000), wk = 0.0015385 k( 333) = ( 0.0959904 0.0959904 0.5000000), wk = 0.0015385 k( 334) = ( 0.0916272 0.0916272 0.5000000), wk = 0.0015385 k( 335) = ( 0.0872640 0.0872640 0.5000000), wk = 0.0015385 k( 336) = ( 0.0829008 0.0829008 0.5000000), wk = 0.0015385 k( 337) = ( 0.0785376 0.0785376 0.5000000), wk = 0.0015385 k( 338) = ( 0.0741744 0.0741744 0.5000000), wk = 0.0015385 k( 339) = ( 0.0698112 0.0698112 0.5000000), wk = 0.0015385 k( 340) = ( 0.0654480 0.0654480 0.5000000), wk = 0.0015385 k( 341) = ( 0.0610848 0.0610848 0.5000000), wk = 0.0015385 k( 342) = ( 0.0567216 0.0567216 0.5000000), wk = 0.0015385 k( 343) = ( 0.0523584 0.0523584 0.5000000), wk = 0.0015385 k( 344) = ( 0.0479952 0.0479952 0.5000000), wk = 0.0015385 k( 345) = ( 0.0436320 0.0436320 0.5000000), wk = 0.0015385 k( 346) = ( 0.0392688 0.0392688 0.5000000), wk = 0.0015385 k( 347) = ( 0.0349056 0.0349056 0.5000000), wk = 0.0015385 k( 348) = ( 0.0305424 0.0305424 0.5000000), wk = 0.0015385 k( 349) = ( 0.0261792 0.0261792 0.5000000), wk = 0.0015385 k( 350) = ( 0.0218160 0.0218160 0.5000000), wk = 0.0015385 k( 351) = ( 0.0174528 0.0174528 0.5000000), wk = 0.0015385 k( 352) = ( 0.0130896 0.0130896 0.5000000), wk = 0.0015385 k( 353) = ( 0.0087264 0.0087264 0.5000000), wk = 0.0015385 k( 354) = ( 0.0043632 0.0043632 0.5000000), wk = 0.0015385 k( 355) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015385 k( 356) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015385 k( 357) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0015385 k( 358) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0015385 k( 359) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0015385 k( 360) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0015385 k( 361) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0015385 k( 362) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0015385 k( 363) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0015385 k( 364) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0015385 k( 365) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0015385 k( 366) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0015385 k( 367) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0015385 k( 368) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0015385 k( 369) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0015385 k( 370) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0015385 k( 371) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0015385 k( 372) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0015385 k( 373) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0015385 k( 374) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0015385 k( 375) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0015385 k( 376) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 377) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015385 k( 378) = ( -0.0050505 0.0050505 0.0000000), wk = 0.0015385 k( 379) = ( -0.0101010 0.0101010 0.0000000), wk = 0.0015385 k( 380) = ( -0.0151515 0.0151515 0.0000000), wk = 0.0015385 k( 381) = ( -0.0202020 0.0202020 0.0000000), wk = 0.0015385 k( 382) = ( -0.0252525 0.0252525 0.0000000), wk = 0.0015385 k( 383) = ( -0.0303030 0.0303030 0.0000000), wk = 0.0015385 k( 384) = ( -0.0353535 0.0353535 0.0000000), wk = 0.0015385 k( 385) = ( -0.0404040 0.0404040 0.0000000), wk = 0.0015385 k( 386) = ( -0.0454546 0.0454546 0.0000000), wk = 0.0015385 k( 387) = ( -0.0505051 0.0505051 0.0000000), wk = 0.0015385 k( 388) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0015385 k( 389) = ( -0.0606061 0.0606061 0.0000000), wk = 0.0015385 k( 390) = ( -0.0656566 0.0656566 -0.0000000), wk = 0.0015385 k( 391) = ( -0.0707071 0.0707071 0.0000000), wk = 0.0015385 k( 392) = ( -0.0757576 0.0757576 0.0000000), wk = 0.0015385 k( 393) = ( -0.0808081 0.0808081 0.0000000), wk = 0.0015385 k( 394) = ( -0.0858586 0.0858586 0.0000000), wk = 0.0015385 k( 395) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0015385 k( 396) = ( -0.0959596 0.0959596 0.0000000), wk = 0.0015385 k( 397) = ( -0.1010101 0.1010101 0.0000000), wk = 0.0015385 k( 398) = ( -0.1060606 0.1060606 0.0000000), wk = 0.0015385 k( 399) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0015385 k( 400) = ( -0.1161616 0.1161616 0.0000000), wk = 0.0015385 k( 401) = ( -0.1212121 0.1212121 0.0000000), wk = 0.0015385 k( 402) = ( -0.1262626 0.1262626 0.0000000), wk = 0.0015385 k( 403) = ( -0.1313131 0.1313131 0.0000000), wk = 0.0015385 k( 404) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0015385 k( 405) = ( -0.1414141 0.1414141 0.0000000), wk = 0.0015385 k( 406) = ( -0.1464647 0.1464647 0.0000000), wk = 0.0015385 k( 407) = ( -0.1515151 0.1515151 0.0000000), wk = 0.0015385 k( 408) = ( -0.1565657 0.1565657 0.0000000), wk = 0.0015385 k( 409) = ( -0.1616162 0.1616162 0.0000000), wk = 0.0015385 k( 410) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0015385 k( 411) = ( -0.1717172 0.1717172 0.0000000), wk = 0.0015385 k( 412) = ( -0.1767677 0.1767677 0.0000000), wk = 0.0015385 k( 413) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0015385 k( 414) = ( -0.1868687 0.1868687 0.0000000), wk = 0.0015385 k( 415) = ( -0.1919192 0.1919192 0.0000000), wk = 0.0015385 k( 416) = ( -0.1969697 0.1969697 0.0000000), wk = 0.0015385 k( 417) = ( -0.2020202 0.2020202 0.0000000), wk = 0.0015385 k( 418) = ( -0.2070707 0.2070707 0.0000000), wk = 0.0015385 k( 419) = ( -0.2121212 0.2121212 -0.0000000), wk = 0.0015385 k( 420) = ( -0.2171717 0.2171717 0.0000000), wk = 0.0015385 k( 421) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0015385 k( 422) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0015385 k( 423) = ( -0.2323232 0.2323232 0.0000000), wk = 0.0015385 k( 424) = ( -0.2373737 0.2373737 0.0000000), wk = 0.0015385 k( 425) = ( -0.2424242 0.2424242 0.0000000), wk = 0.0015385 k( 426) = ( -0.2474747 0.2474748 0.0000000), wk = 0.0015385 k( 427) = ( -0.2525252 0.2525253 0.0000000), wk = 0.0015385 k( 428) = ( -0.2575758 0.2575758 0.0000000), wk = 0.0015385 k( 429) = ( -0.2626263 0.2626263 0.0000000), wk = 0.0015385 k( 430) = ( -0.2676768 0.2676768 0.0000000), wk = 0.0015385 k( 431) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0015385 k( 432) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0015385 k( 433) = ( -0.2828283 0.2828283 0.0000000), wk = 0.0015385 k( 434) = ( -0.2878788 0.2878788 0.0000000), wk = 0.0015385 k( 435) = ( -0.2929293 0.2929293 -0.0000000), wk = 0.0015385 k( 436) = ( -0.2979798 0.2979798 0.0000000), wk = 0.0015385 k( 437) = ( -0.3030303 0.3030303 0.0000000), wk = 0.0015385 k( 438) = ( -0.3080808 0.3080808 0.0000000), wk = 0.0015385 k( 439) = ( -0.3131313 0.3131313 0.0000000), wk = 0.0015385 k( 440) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0015385 k( 441) = ( -0.3232323 0.3232323 0.0000000), wk = 0.0015385 k( 442) = ( -0.3282828 0.3282828 0.0000000), wk = 0.0015385 k( 443) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0015385 k( 444) = ( -0.3383838 0.3383838 0.0000000), wk = 0.0015385 k( 445) = ( -0.3434343 0.3434343 0.0000000), wk = 0.0015385 k( 446) = ( -0.3484849 0.3484849 0.0000000), wk = 0.0015385 k( 447) = ( -0.3535354 0.3535354 0.0000000), wk = 0.0015385 k( 448) = ( -0.3585859 0.3585859 0.0000000), wk = 0.0015385 k( 449) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0015385 k( 450) = ( -0.3686869 0.3686869 0.0000000), wk = 0.0015385 k( 451) = ( -0.3737374 0.3737374 0.0000000), wk = 0.0015385 k( 452) = ( -0.3787879 0.3787879 0.0000000), wk = 0.0015385 k( 453) = ( -0.3838384 0.3838384 0.0000000), wk = 0.0015385 k( 454) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0015385 k( 455) = ( -0.3939394 0.3939394 0.0000000), wk = 0.0015385 k( 456) = ( -0.3989899 0.3989899 0.0000000), wk = 0.0015385 k( 457) = ( -0.4040404 0.4040404 0.0000000), wk = 0.0015385 k( 458) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0015385 k( 459) = ( -0.4141414 0.4141414 0.0000000), wk = 0.0015385 k( 460) = ( -0.4191919 0.4191919 0.0000000), wk = 0.0015385 k( 461) = ( -0.4242424 0.4242424 -0.0000000), wk = 0.0015385 k( 462) = ( -0.4292929 0.4292929 0.0000000), wk = 0.0015385 k( 463) = ( -0.4343434 0.4343434 0.0000000), wk = 0.0015385 k( 464) = ( -0.4393939 0.4393939 0.0000000), wk = 0.0015385 k( 465) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0015385 k( 466) = ( -0.4494950 0.4494950 0.0000000), wk = 0.0015385 k( 467) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0015385 k( 468) = ( -0.4595960 0.4595960 0.0000000), wk = 0.0015385 k( 469) = ( -0.4646465 0.4646465 0.0000000), wk = 0.0015385 k( 470) = ( -0.4696970 0.4696970 0.0000000), wk = 0.0015385 k( 471) = ( -0.4747475 0.4747475 0.0000000), wk = 0.0015385 k( 472) = ( -0.4797980 0.4797980 0.0000000), wk = 0.0015385 k( 473) = ( -0.4848485 0.4848485 0.0000000), wk = 0.0015385 k( 474) = ( -0.4898990 0.4898990 0.0000000), wk = 0.0015385 k( 475) = ( -0.4949495 0.4949495 0.0000000), wk = 0.0015385 k( 476) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0015385 k( 477) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0015385 k( 478) = ( -0.4957547 0.5042453 0.0000000), wk = 0.0015385 k( 479) = ( -0.4915093 0.5084907 0.0000000), wk = 0.0015385 k( 480) = ( -0.4872640 0.5127360 0.0000000), wk = 0.0015385 k( 481) = ( -0.4830186 0.5169814 0.0000000), wk = 0.0015385 k( 482) = ( -0.4787733 0.5212267 0.0000000), wk = 0.0015385 k( 483) = ( -0.4745280 0.5254720 0.0000000), wk = 0.0015385 k( 484) = ( -0.4702826 0.5297174 0.0000000), wk = 0.0015385 k( 485) = ( -0.4660373 0.5339627 0.0000000), wk = 0.0015385 k( 486) = ( -0.4617920 0.5382080 0.0000000), wk = 0.0015385 k( 487) = ( -0.4575466 0.5424534 0.0000000), wk = 0.0015385 k( 488) = ( -0.4533013 0.5466987 0.0000000), wk = 0.0015385 k( 489) = ( -0.4490560 0.5509440 0.0000000), wk = 0.0015385 k( 490) = ( -0.4448106 0.5551894 -0.0000000), wk = 0.0015385 k( 491) = ( -0.4405653 0.5594347 0.0000000), wk = 0.0015385 k( 492) = ( -0.4363199 0.5636801 -0.0000000), wk = 0.0015385 k( 493) = ( -0.4363199 0.5636801 -0.0000000), wk = 0.0015385 k( 494) = ( -0.4363199 0.5636801 0.0250000), wk = 0.0015385 k( 495) = ( -0.4363199 0.5636801 0.0500000), wk = 0.0015385 k( 496) = ( -0.4363199 0.5636801 0.0750000), wk = 0.0015385 k( 497) = ( -0.4363199 0.5636801 0.1000000), wk = 0.0015385 k( 498) = ( -0.4363199 0.5636801 0.1250000), wk = 0.0015385 k( 499) = ( -0.4363199 0.5636801 0.1500000), wk = 0.0015385 k( 500) = ( -0.4363199 0.5636801 0.1750000), wk = 0.0015385 k( 501) = ( -0.4363199 0.5636801 0.2000000), wk = 0.0015385 k( 502) = ( -0.4363199 0.5636801 0.2250000), wk = 0.0015385 k( 503) = ( -0.4363199 0.5636801 0.2500000), wk = 0.0015385 k( 504) = ( -0.4363199 0.5636801 0.2750000), wk = 0.0015385 k( 505) = ( -0.4363199 0.5636801 0.3000000), wk = 0.0015385 k( 506) = ( -0.4363199 0.5636801 0.3250000), wk = 0.0015385 k( 507) = ( -0.4363199 0.5636801 0.3500000), wk = 0.0015385 k( 508) = ( -0.4363199 0.5636801 0.3750000), wk = 0.0015385 k( 509) = ( -0.4363199 0.5636801 0.4000000), wk = 0.0015385 k( 510) = ( -0.4363199 0.5636801 0.4250000), wk = 0.0015385 k( 511) = ( -0.4363199 0.5636801 0.4500000), wk = 0.0015385 k( 512) = ( -0.4363199 0.5636801 0.4750000), wk = 0.0015385 k( 513) = ( -0.4363199 0.5636801 0.5000000), wk = 0.0015385 k( 514) = ( -0.4363199 0.5636801 0.5000000), wk = 0.0015385 k( 515) = ( -0.4405653 0.5594347 0.5000000), wk = 0.0015385 k( 516) = ( -0.4448106 0.5551894 0.5000000), wk = 0.0015385 k( 517) = ( -0.4490560 0.5509440 0.5000000), wk = 0.0015385 k( 518) = ( -0.4533013 0.5466987 0.5000000), wk = 0.0015385 k( 519) = ( -0.4575466 0.5424534 0.5000000), wk = 0.0015385 k( 520) = ( -0.4617920 0.5382080 0.5000000), wk = 0.0015385 k( 521) = ( -0.4660373 0.5339627 0.5000000), wk = 0.0015385 k( 522) = ( -0.4702826 0.5297174 0.5000000), wk = 0.0015385 k( 523) = ( -0.4745280 0.5254720 0.5000000), wk = 0.0015385 k( 524) = ( -0.4787733 0.5212267 0.5000000), wk = 0.0015385 k( 525) = ( -0.4830186 0.5169814 0.5000000), wk = 0.0015385 k( 526) = ( -0.4872640 0.5127360 0.5000000), wk = 0.0015385 k( 527) = ( -0.4915093 0.5084907 0.5000000), wk = 0.0015385 k( 528) = ( -0.4957547 0.5042453 0.5000000), wk = 0.0015385 k( 529) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0015385 k( 530) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0015385 k( 531) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0015385 k( 532) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0015385 k( 533) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0015385 k( 534) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0015385 k( 535) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0015385 k( 536) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0015385 k( 537) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0015385 k( 538) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0015385 k( 539) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0015385 k( 540) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0015385 k( 541) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0015385 k( 542) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0015385 k( 543) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0015385 k( 544) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0015385 k( 545) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0015385 k( 546) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0015385 k( 547) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0015385 k( 548) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0015385 k( 549) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0015385 k( 550) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0015385 k( 551) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015385 k( 552) = ( -0.0050505 0.0050505 0.5000000), wk = 0.0015385 k( 553) = ( -0.0101010 0.0101010 0.5000000), wk = 0.0015385 k( 554) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0015385 k( 555) = ( -0.0202020 0.0202020 0.5000000), wk = 0.0015385 k( 556) = ( -0.0252525 0.0252525 0.5000000), wk = 0.0015385 k( 557) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0015385 k( 558) = ( -0.0353535 0.0353535 0.5000000), wk = 0.0015385 k( 559) = ( -0.0404040 0.0404040 0.5000000), wk = 0.0015385 k( 560) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0015385 k( 561) = ( -0.0505051 0.0505051 0.5000000), wk = 0.0015385 k( 562) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0015385 k( 563) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0015385 k( 564) = ( -0.0656566 0.0656566 0.5000000), wk = 0.0015385 k( 565) = ( -0.0707071 0.0707071 0.5000000), wk = 0.0015385 k( 566) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0015385 k( 567) = ( -0.0808081 0.0808081 0.5000000), wk = 0.0015385 k( 568) = ( -0.0858586 0.0858586 0.5000000), wk = 0.0015385 k( 569) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0015385 k( 570) = ( -0.0959596 0.0959596 0.5000000), wk = 0.0015385 k( 571) = ( -0.1010101 0.1010101 0.5000000), wk = 0.0015385 k( 572) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0015385 k( 573) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0015385 k( 574) = ( -0.1161616 0.1161616 0.5000000), wk = 0.0015385 k( 575) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0015385 k( 576) = ( -0.1262626 0.1262626 0.5000000), wk = 0.0015385 k( 577) = ( -0.1313131 0.1313131 0.5000000), wk = 0.0015385 k( 578) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0015385 k( 579) = ( -0.1414141 0.1414141 0.5000000), wk = 0.0015385 k( 580) = ( -0.1464647 0.1464647 0.5000000), wk = 0.0015385 k( 581) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0015385 k( 582) = ( -0.1565657 0.1565657 0.5000000), wk = 0.0015385 k( 583) = ( -0.1616162 0.1616162 0.5000000), wk = 0.0015385 k( 584) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0015385 k( 585) = ( -0.1717172 0.1717172 0.5000000), wk = 0.0015385 k( 586) = ( -0.1767677 0.1767677 0.5000000), wk = 0.0015385 k( 587) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0015385 k( 588) = ( -0.1868687 0.1868687 0.5000000), wk = 0.0015385 k( 589) = ( -0.1919192 0.1919192 0.5000000), wk = 0.0015385 k( 590) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0015385 k( 591) = ( -0.2020202 0.2020202 0.5000000), wk = 0.0015385 k( 592) = ( -0.2070707 0.2070707 0.5000000), wk = 0.0015385 k( 593) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0015385 k( 594) = ( -0.2171717 0.2171717 0.5000000), wk = 0.0015385 k( 595) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0015385 k( 596) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0015385 k( 597) = ( -0.2323232 0.2323232 0.5000000), wk = 0.0015385 k( 598) = ( -0.2373737 0.2373737 0.5000000), wk = 0.0015385 k( 599) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0015385 k( 600) = ( -0.2474747 0.2474748 0.5000000), wk = 0.0015385 k( 601) = ( -0.2525252 0.2525253 0.5000000), wk = 0.0015385 k( 602) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0015385 k( 603) = ( -0.2626263 0.2626263 0.5000000), wk = 0.0015385 k( 604) = ( -0.2676768 0.2676768 0.5000000), wk = 0.0015385 k( 605) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0015385 k( 606) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0015385 k( 607) = ( -0.2828283 0.2828283 0.5000000), wk = 0.0015385 k( 608) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0015385 k( 609) = ( -0.2929293 0.2929293 0.5000000), wk = 0.0015385 k( 610) = ( -0.2979798 0.2979798 0.5000000), wk = 0.0015385 k( 611) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0015385 k( 612) = ( -0.3080808 0.3080808 0.5000000), wk = 0.0015385 k( 613) = ( -0.3131313 0.3131313 0.5000000), wk = 0.0015385 k( 614) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0015385 k( 615) = ( -0.3232323 0.3232323 0.5000000), wk = 0.0015385 k( 616) = ( -0.3282828 0.3282828 0.5000000), wk = 0.0015385 k( 617) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0015385 k( 618) = ( -0.3383838 0.3383838 0.5000000), wk = 0.0015385 k( 619) = ( -0.3434343 0.3434343 0.5000000), wk = 0.0015385 k( 620) = ( -0.3484849 0.3484849 0.5000000), wk = 0.0015385 k( 621) = ( -0.3535354 0.3535354 0.5000000), wk = 0.0015385 k( 622) = ( -0.3585859 0.3585859 0.5000000), wk = 0.0015385 k( 623) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0015385 k( 624) = ( -0.3686869 0.3686869 0.5000000), wk = 0.0015385 k( 625) = ( -0.3737374 0.3737374 0.5000000), wk = 0.0015385 k( 626) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0015385 k( 627) = ( -0.3838384 0.3838384 0.5000000), wk = 0.0015385 k( 628) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0015385 k( 629) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0015385 k( 630) = ( -0.3989899 0.3989899 0.5000000), wk = 0.0015385 k( 631) = ( -0.4040404 0.4040404 0.5000000), wk = 0.0015385 k( 632) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0015385 k( 633) = ( -0.4141414 0.4141414 0.5000000), wk = 0.0015385 k( 634) = ( -0.4191919 0.4191919 0.5000000), wk = 0.0015385 k( 635) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0015385 k( 636) = ( -0.4292929 0.4292929 0.5000000), wk = 0.0015385 k( 637) = ( -0.4343434 0.4343434 0.5000000), wk = 0.0015385 k( 638) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0015385 k( 639) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0015385 k( 640) = ( -0.4494950 0.4494950 0.5000000), wk = 0.0015385 k( 641) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0015385 k( 642) = ( -0.4595960 0.4595960 0.5000000), wk = 0.0015385 k( 643) = ( -0.4646465 0.4646465 0.5000000), wk = 0.0015385 k( 644) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0015385 k( 645) = ( -0.4747475 0.4747475 0.5000000), wk = 0.0015385 k( 646) = ( -0.4797980 0.4797980 0.5000000), wk = 0.0015385 k( 647) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0015385 k( 648) = ( -0.4898990 0.4898990 0.5000000), wk = 0.0015385 k( 649) = ( -0.4949495 0.4949495 0.5000000), wk = 0.0015385 k( 650) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0015385 Dense grid: 9427 G-vectors FFT dimensions: ( 18, 18, 72) Smooth grid: 6933 G-vectors FFT dimensions: ( 15, 15, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 60, 28) NL pseudopotentials 0.06 Mb ( 30, 136) Each V/rho on FFT grid 0.01 Mb ( 648) Each G-vector array 0.00 Mb ( 260) G-vector shells 0.00 Mb ( 133) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 60, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.12 Mb ( 136, 2, 28) The potential is recalculated from file : ./P.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.6 secs Computing kpt #: 21 total cpu time spent up to now is 4.7 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.0 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.2 secs Computing kpt #: 27 total cpu time spent up to now is 5.3 secs Computing kpt #: 28 total cpu time spent up to now is 5.4 secs Computing kpt #: 29 total cpu time spent up to now is 5.5 secs Computing kpt #: 30 total cpu time spent up to now is 5.6 secs Computing kpt #: 31 total cpu time spent up to now is 5.7 secs Computing kpt #: 32 total cpu time spent up to now is 5.8 secs Computing kpt #: 33 total cpu time spent up to now is 5.9 secs Computing kpt #: 34 total cpu time spent up to now is 6.0 secs Computing kpt #: 35 total cpu time spent up to now is 6.1 secs Computing kpt #: 36 total cpu time spent up to now is 6.2 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.3 secs Computing kpt #: 39 total cpu time spent up to now is 6.4 secs Computing kpt #: 40 total cpu time spent up to now is 6.5 secs Computing kpt #: 41 total cpu time spent up to now is 6.6 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.8 secs Computing kpt #: 45 total cpu time spent up to now is 6.9 secs Computing kpt #: 46 total cpu time spent up to now is 7.0 secs Computing kpt #: 47 total cpu time spent up to now is 7.1 secs Computing kpt #: 48 total cpu time spent up to now is 7.2 secs Computing kpt #: 49 total cpu time spent up to now is 7.3 secs Computing kpt #: 50 total cpu time spent up to now is 7.3 secs Computing kpt #: 51 total cpu time spent up to now is 7.4 secs Computing kpt #: 52 total cpu time spent up to now is 7.5 secs Computing kpt #: 53 total cpu time spent up to now is 7.6 secs Computing kpt #: 54 total cpu time spent up to now is 7.7 secs Computing kpt #: 55 total cpu time spent up to now is 7.8 secs Computing kpt #: 56 total cpu time spent up to now is 7.9 secs Computing kpt #: 57 total cpu time spent up to now is 8.0 secs Computing kpt #: 58 total cpu time spent up to now is 8.0 secs Computing kpt #: 59 total cpu time spent up to now is 8.1 secs Computing kpt #: 60 total cpu time spent up to now is 8.2 secs Computing kpt #: 61 total cpu time spent up to now is 8.3 secs Computing kpt #: 62 total cpu time spent up to now is 8.4 secs Computing kpt #: 63 total cpu time spent up to now is 8.5 secs Computing kpt #: 64 total cpu time spent up to now is 8.6 secs Computing kpt #: 65 total cpu time spent up to now is 8.7 secs Computing kpt #: 66 total cpu time spent up to now is 8.8 secs Computing kpt #: 67 total cpu time spent up to now is 8.9 secs Computing kpt #: 68 total cpu time spent up to now is 9.0 secs Computing kpt #: 69 total cpu time spent up to now is 9.1 secs Computing kpt #: 70 total cpu time spent up to now is 9.2 secs Computing kpt #: 71 total cpu time spent up to now is 9.4 secs Computing kpt #: 72 total cpu time spent up to now is 9.5 secs Computing kpt #: 73 total cpu time spent up to now is 9.6 secs Computing kpt #: 74 total cpu time spent up to now is 9.8 secs Computing kpt #: 75 total cpu time spent up to now is 9.9 secs Computing kpt #: 76 total cpu time spent up to now is 10.0 secs Computing kpt #: 77 total cpu time spent up to now is 10.2 secs Computing kpt #: 78 total cpu time spent up to now is 10.3 secs Computing kpt #: 79 total cpu time spent up to now is 10.4 secs Computing kpt #: 80 total cpu time spent up to now is 10.5 secs Computing kpt #: 81 total cpu time spent up to now is 10.6 secs Computing kpt #: 82 total cpu time spent up to now is 10.7 secs Computing kpt #: 83 total cpu time spent up to now is 10.8 secs Computing kpt #: 84 total cpu time spent up to now is 10.9 secs Computing kpt #: 85 total cpu time spent up to now is 11.0 secs Computing kpt #: 86 total cpu time spent up to now is 11.1 secs Computing kpt #: 87 total cpu time spent up to now is 11.2 secs Computing kpt #: 88 total cpu time spent up to now is 11.3 secs Computing kpt #: 89 total cpu time spent up to now is 11.4 secs Computing kpt #: 90 total cpu time spent up to now is 11.6 secs Computing kpt #: 91 total cpu time spent up to now is 11.7 secs Computing kpt #: 92 total cpu time spent up to now is 11.8 secs Computing kpt #: 93 total cpu time spent up to now is 11.9 secs Computing kpt #: 94 total cpu time spent up to now is 12.0 secs Computing kpt #: 95 total cpu time spent up to now is 12.1 secs Computing kpt #: 96 total cpu time spent up to now is 12.2 secs Computing kpt #: 97 total cpu time spent up to now is 12.4 secs Computing kpt #: 98 total cpu time spent up to now is 12.5 secs Computing kpt #: 99 total cpu time spent up to now is 12.6 secs Computing kpt #: 100 total cpu time spent up to now is 12.8 secs Computing kpt #: 101 total cpu time spent up to now is 12.9 secs Computing kpt #: 102 total cpu time spent up to now is 13.0 secs Computing kpt #: 103 total cpu time spent up to now is 13.2 secs Computing kpt #: 104 total cpu time spent up to now is 13.3 secs Computing kpt #: 105 total cpu time spent up to now is 13.4 secs Computing kpt #: 106 total cpu time spent up to now is 13.5 secs Computing kpt #: 107 total cpu time spent up to now is 13.7 secs Computing kpt #: 108 total cpu time spent up to now is 13.8 secs Computing kpt #: 109 total cpu time spent up to now is 13.9 secs Computing kpt #: 110 total cpu time spent up to now is 14.0 secs Computing kpt #: 111 total cpu time spent up to now is 14.2 secs Computing kpt #: 112 total cpu time spent up to now is 14.3 secs Computing kpt #: 113 total cpu time spent up to now is 14.4 secs Computing kpt #: 114 total cpu time spent up to now is 14.5 secs Computing kpt #: 115 total cpu time spent up to now is 14.6 secs Computing kpt #: 116 total cpu time spent up to now is 14.8 secs Computing kpt #: 117 total cpu time spent up to now is 14.9 secs Computing kpt #: 118 total cpu time spent up to now is 15.0 secs Computing kpt #: 119 total cpu time spent up to now is 15.1 secs Computing kpt #: 120 total cpu time spent up to now is 15.2 secs Computing kpt #: 121 total cpu time spent up to now is 15.4 secs Computing kpt #: 122 total cpu time spent up to now is 15.5 secs Computing kpt #: 123 total cpu time spent up to now is 15.6 secs Computing kpt #: 124 total cpu time spent up to now is 15.7 secs Computing kpt #: 125 total cpu time spent up to now is 15.9 secs Computing kpt #: 126 total cpu time spent up to now is 16.1 secs Computing kpt #: 127 total cpu time spent up to now is 16.3 secs Computing kpt #: 128 total cpu time spent up to now is 16.4 secs Computing kpt #: 129 total cpu time spent up to now is 16.5 secs Computing kpt #: 130 total cpu time spent up to now is 16.6 secs Computing kpt #: 131 total cpu time spent up to now is 16.7 secs Computing kpt #: 132 total cpu time spent up to now is 16.8 secs Computing kpt #: 133 total cpu time spent up to now is 17.0 secs Computing kpt #: 134 total cpu time spent up to now is 17.1 secs Computing kpt #: 135 total cpu time spent up to now is 17.2 secs Computing kpt #: 136 total cpu time spent up to now is 17.3 secs Computing kpt #: 137 total cpu time spent up to now is 17.5 secs Computing kpt #: 138 total cpu time spent up to now is 17.7 secs Computing kpt #: 139 total cpu time spent up to now is 17.8 secs Computing kpt #: 140 total cpu time spent up to now is 18.0 secs Computing kpt #: 141 total cpu time spent up to now is 18.1 secs Computing kpt #: 142 total cpu time spent up to now is 18.2 secs Computing kpt #: 143 total cpu time spent up to now is 18.4 secs Computing kpt #: 144 total cpu time spent up to now is 18.5 secs Computing kpt #: 145 total cpu time spent up to now is 18.6 secs Computing kpt #: 146 total cpu time spent up to now is 18.7 secs Computing kpt #: 147 total cpu time spent up to now is 18.8 secs Computing kpt #: 148 total cpu time spent up to now is 18.9 secs Computing kpt #: 149 total cpu time spent up to now is 19.1 secs Computing kpt #: 150 total cpu time spent up to now is 19.2 secs Computing kpt #: 151 total cpu time spent up to now is 19.3 secs Computing kpt #: 152 total cpu time spent up to now is 19.4 secs Computing kpt #: 153 total cpu time spent up to now is 19.5 secs Computing kpt #: 154 total cpu time spent up to now is 19.6 secs Computing kpt #: 155 total cpu time spent up to now is 19.7 secs Computing kpt #: 156 total cpu time spent up to now is 19.8 secs Computing kpt #: 157 total cpu time spent up to now is 19.9 secs Computing kpt #: 158 total cpu time spent up to now is 20.0 secs Computing kpt #: 159 total cpu time spent up to now is 20.1 secs Computing kpt #: 160 total cpu time spent up to now is 20.2 secs Computing kpt #: 161 total cpu time spent up to now is 20.4 secs Computing kpt #: 162 total cpu time spent up to now is 20.5 secs Computing kpt #: 163 total cpu time spent up to now is 20.6 secs Computing kpt #: 164 total cpu time spent up to now is 20.7 secs Computing kpt #: 165 total cpu time spent up to now is 20.8 secs Computing kpt #: 166 total cpu time spent up to now is 20.9 secs Computing kpt #: 167 total cpu time spent up to now is 21.0 secs Computing kpt #: 168 total cpu time spent up to now is 21.1 secs Computing kpt #: 169 total cpu time spent up to now is 21.2 secs Computing kpt #: 170 total cpu time spent up to now is 21.3 secs Computing kpt #: 171 total cpu time spent up to now is 21.4 secs Computing kpt #: 172 total cpu time spent up to now is 21.5 secs Computing kpt #: 173 total cpu time spent up to now is 21.6 secs Computing kpt #: 174 total cpu time spent up to now is 21.7 secs Computing kpt #: 175 total cpu time spent up to now is 21.9 secs Computing kpt #: 176 total cpu time spent up to now is 22.0 secs Computing kpt #: 177 total cpu time spent up to now is 22.1 secs Computing kpt #: 178 total cpu time spent up to now is 22.2 secs Computing kpt #: 179 total cpu time spent up to now is 22.3 secs Computing kpt #: 180 total cpu time spent up to now is 22.4 secs Computing kpt #: 181 total cpu time spent up to now is 22.5 secs Computing kpt #: 182 total cpu time spent up to now is 22.7 secs Computing kpt #: 183 total cpu time spent up to now is 22.8 secs Computing kpt #: 184 total cpu time spent up to now is 22.9 secs Computing kpt #: 185 total cpu time spent up to now is 23.0 secs Computing kpt #: 186 total cpu time spent up to now is 23.1 secs Computing kpt #: 187 total cpu time spent up to now is 23.2 secs Computing kpt #: 188 total cpu time spent up to now is 23.3 secs Computing kpt #: 189 total cpu time spent up to now is 23.4 secs Computing kpt #: 190 total cpu time spent up to now is 23.5 secs Computing kpt #: 191 total cpu time spent up to now is 23.5 secs Computing kpt #: 192 total cpu time spent up to now is 23.6 secs Computing kpt #: 193 total cpu time spent up to now is 23.7 secs Computing kpt #: 194 total cpu time spent up to now is 23.8 secs Computing kpt #: 195 total cpu time spent up to now is 23.9 secs Computing kpt #: 196 total cpu time spent up to now is 24.0 secs Computing kpt #: 197 total cpu time spent up to now is 24.1 secs Computing kpt #: 198 total cpu time spent up to now is 24.2 secs Computing kpt #: 199 total cpu time spent up to now is 24.3 secs Computing kpt #: 200 total cpu time spent up to now is 24.8 secs Computing kpt #: 201 total cpu time spent up to now is 24.9 secs Computing kpt #: 202 total cpu time spent up to now is 25.0 secs Computing kpt #: 203 total cpu time spent up to now is 25.1 secs Computing kpt #: 204 total cpu time spent up to now is 25.1 secs Computing kpt #: 205 total cpu time spent up to now is 25.2 secs Computing kpt #: 206 total cpu time spent up to now is 25.3 secs Computing kpt #: 207 total cpu time spent up to now is 25.4 secs Computing kpt #: 208 total cpu time spent up to now is 25.5 secs Computing kpt #: 209 total cpu time spent up to now is 25.6 secs Computing kpt #: 210 total cpu time spent up to now is 25.7 secs Computing kpt #: 211 total cpu time spent up to now is 25.8 secs Computing kpt #: 212 total cpu time spent up to now is 25.9 secs Computing kpt #: 213 total cpu time spent up to now is 26.0 secs Computing kpt #: 214 total cpu time spent up to now is 26.1 secs Computing kpt #: 215 total cpu time spent up to now is 26.2 secs Computing kpt #: 216 total cpu time spent up to now is 26.2 secs Computing kpt #: 217 total cpu time spent up to now is 26.3 secs Computing kpt #: 218 total cpu time spent up to now is 26.4 secs Computing kpt #: 219 total cpu time spent up to now is 26.5 secs Computing kpt #: 220 total cpu time spent up to now is 26.6 secs Computing kpt #: 221 total cpu time spent up to now is 26.7 secs Computing kpt #: 222 total cpu time spent up to now is 26.8 secs Computing kpt #: 223 total cpu time spent up to now is 26.9 secs Computing kpt #: 224 total cpu time spent up to now is 27.1 secs Computing kpt #: 225 total cpu time spent up to now is 27.2 secs Computing kpt #: 226 total cpu time spent up to now is 27.3 secs Computing kpt #: 227 total cpu time spent up to now is 27.4 secs Computing kpt #: 228 total cpu time spent up to now is 27.5 secs Computing kpt #: 229 total cpu time spent up to now is 27.6 secs Computing kpt #: 230 total cpu time spent up to now is 27.7 secs Computing kpt #: 231 total cpu time spent up to now is 27.8 secs Computing kpt #: 232 total cpu time spent up to now is 27.9 secs Computing kpt #: 233 total cpu time spent up to now is 28.0 secs Computing kpt #: 234 total cpu time spent up to now is 28.2 secs Computing kpt #: 235 total cpu time spent up to now is 28.3 secs Computing kpt #: 236 total cpu time spent up to now is 28.4 secs Computing kpt #: 237 total cpu time spent up to now is 28.5 secs Computing kpt #: 238 total cpu time spent up to now is 28.6 secs Computing kpt #: 239 total cpu time spent up to now is 28.8 secs Computing kpt #: 240 total cpu time spent up to now is 28.9 secs Computing kpt #: 241 total cpu time spent up to now is 29.0 secs Computing kpt #: 242 total cpu time spent up to now is 29.1 secs Computing kpt #: 243 total cpu time spent up to now is 29.2 secs Computing kpt #: 244 total cpu time spent up to now is 29.3 secs Computing kpt #: 245 total cpu time spent up to now is 29.4 secs Computing kpt #: 246 total cpu time spent up to now is 29.5 secs Computing kpt #: 247 total cpu time spent up to now is 29.6 secs Computing kpt #: 248 total cpu time spent up to now is 29.7 secs Computing kpt #: 249 total cpu time spent up to now is 29.8 secs Computing kpt #: 250 total cpu time spent up to now is 29.9 secs Computing kpt #: 251 total cpu time spent up to now is 30.0 secs Computing kpt #: 252 total cpu time spent up to now is 30.1 secs Computing kpt #: 253 total cpu time spent up to now is 30.2 secs Computing kpt #: 254 total cpu time spent up to now is 30.4 secs Computing kpt #: 255 total cpu time spent up to now is 30.5 secs Computing kpt #: 256 total cpu time spent up to now is 30.6 secs Computing kpt #: 257 total cpu time spent up to now is 30.7 secs Computing kpt #: 258 total cpu time spent up to now is 30.8 secs Computing kpt #: 259 total cpu time spent up to now is 30.9 secs Computing kpt #: 260 total cpu time spent up to now is 31.0 secs Computing kpt #: 261 total cpu time spent up to now is 31.1 secs Computing kpt #: 262 total cpu time spent up to now is 31.2 secs Computing kpt #: 263 total cpu time spent up to now is 31.3 secs Computing kpt #: 264 total cpu time spent up to now is 31.4 secs Computing kpt #: 265 total cpu time spent up to now is 31.5 secs Computing kpt #: 266 total cpu time spent up to now is 31.6 secs Computing kpt #: 267 total cpu time spent up to now is 31.7 secs Computing kpt #: 268 total cpu time spent up to now is 31.7 secs Computing kpt #: 269 total cpu time spent up to now is 31.8 secs Computing kpt #: 270 total cpu time spent up to now is 31.9 secs Computing kpt #: 271 total cpu time spent up to now is 32.0 secs Computing kpt #: 272 total cpu time spent up to now is 32.1 secs Computing kpt #: 273 total cpu time spent up to now is 32.2 secs Computing kpt #: 274 total cpu time spent up to now is 32.3 secs Computing kpt #: 275 total cpu time spent up to now is 32.4 secs Computing kpt #: 276 total cpu time spent up to now is 32.5 secs Computing kpt #: 277 total cpu time spent up to now is 32.6 secs Computing kpt #: 278 total cpu time spent up to now is 32.6 secs Computing kpt #: 279 total cpu time spent up to now is 32.7 secs Computing kpt #: 280 total cpu time spent up to now is 32.8 secs Computing kpt #: 281 total cpu time spent up to now is 32.9 secs Computing kpt #: 282 total cpu time spent up to now is 33.0 secs Computing kpt #: 283 total cpu time spent up to now is 33.1 secs Computing kpt #: 284 total cpu time spent up to now is 33.2 secs Computing kpt #: 285 total cpu time spent up to now is 33.3 secs Computing kpt #: 286 total cpu time spent up to now is 33.4 secs Computing kpt #: 287 total cpu time spent up to now is 33.4 secs Computing kpt #: 288 total cpu time spent up to now is 33.5 secs Computing kpt #: 289 total cpu time spent up to now is 33.6 secs Computing kpt #: 290 total cpu time spent up to now is 33.7 secs Computing kpt #: 291 total cpu time spent up to now is 33.8 secs Computing kpt #: 292 total cpu time spent up to now is 33.9 secs Computing kpt #: 293 total cpu time spent up to now is 34.0 secs Computing kpt #: 294 total cpu time spent up to now is 34.0 secs Computing kpt #: 295 total cpu time spent up to now is 34.1 secs Computing kpt #: 296 total cpu time spent up to now is 34.2 secs Computing kpt #: 297 total cpu time spent up to now is 34.3 secs Computing kpt #: 298 total cpu time spent up to now is 34.4 secs Computing kpt #: 299 total cpu time spent up to now is 34.5 secs Computing kpt #: 300 total cpu time spent up to now is 34.6 secs Computing kpt #: 301 total cpu time spent up to now is 34.7 secs Computing kpt #: 302 total cpu time spent up to now is 34.8 secs Computing kpt #: 303 total cpu time spent up to now is 34.9 secs Computing kpt #: 304 total cpu time spent up to now is 35.0 secs Computing kpt #: 305 total cpu time spent up to now is 35.0 secs Computing kpt #: 306 total cpu time spent up to now is 35.1 secs Computing kpt #: 307 total cpu time spent up to now is 35.2 secs Computing kpt #: 308 total cpu time spent up to now is 35.3 secs Computing kpt #: 309 total cpu time spent up to now is 35.4 secs Computing kpt #: 310 total cpu time spent up to now is 35.5 secs Computing kpt #: 311 total cpu time spent up to now is 35.6 secs Computing kpt #: 312 total cpu time spent up to now is 35.7 secs Computing kpt #: 313 total cpu time spent up to now is 35.8 secs Computing kpt #: 314 total cpu time spent up to now is 35.9 secs Computing kpt #: 315 total cpu time spent up to now is 36.0 secs Computing kpt #: 316 total cpu time spent up to now is 36.1 secs Computing kpt #: 317 total cpu time spent up to now is 36.2 secs Computing kpt #: 318 total cpu time spent up to now is 36.3 secs Computing kpt #: 319 total cpu time spent up to now is 36.4 secs Computing kpt #: 320 total cpu time spent up to now is 36.5 secs Computing kpt #: 321 total cpu time spent up to now is 36.6 secs Computing kpt #: 322 total cpu time spent up to now is 36.7 secs Computing kpt #: 323 total cpu time spent up to now is 36.8 secs Computing kpt #: 324 total cpu time spent up to now is 36.9 secs Computing kpt #: 325 total cpu time spent up to now is 37.0 secs Computing kpt #: 326 total cpu time spent up to now is 37.1 secs Computing kpt #: 327 total cpu time spent up to now is 37.2 secs Computing kpt #: 328 total cpu time spent up to now is 37.3 secs Computing kpt #: 329 total cpu time spent up to now is 37.4 secs Computing kpt #: 330 total cpu time spent up to now is 37.5 secs Computing kpt #: 331 total cpu time spent up to now is 37.7 secs Computing kpt #: 332 total cpu time spent up to now is 37.8 secs Computing kpt #: 333 total cpu time spent up to now is 37.9 secs Computing kpt #: 334 total cpu time spent up to now is 38.0 secs Computing kpt #: 335 total cpu time spent up to now is 38.1 secs Computing kpt #: 336 total cpu time spent up to now is 38.2 secs Computing kpt #: 337 total cpu time spent up to now is 38.3 secs Computing kpt #: 338 total cpu time spent up to now is 38.4 secs Computing kpt #: 339 total cpu time spent up to now is 38.5 secs Computing kpt #: 340 total cpu time spent up to now is 38.7 secs Computing kpt #: 341 total cpu time spent up to now is 38.8 secs Computing kpt #: 342 total cpu time spent up to now is 38.9 secs Computing kpt #: 343 total cpu time spent up to now is 39.0 secs Computing kpt #: 344 total cpu time spent up to now is 39.1 secs Computing kpt #: 345 total cpu time spent up to now is 39.3 secs Computing kpt #: 346 total cpu time spent up to now is 39.4 secs Computing kpt #: 347 total cpu time spent up to now is 39.5 secs Computing kpt #: 348 total cpu time spent up to now is 39.6 secs Computing kpt #: 349 total cpu time spent up to now is 39.8 secs Computing kpt #: 350 total cpu time spent up to now is 39.9 secs Computing kpt #: 351 total cpu time spent up to now is 40.1 secs Computing kpt #: 352 total cpu time spent up to now is 40.2 secs Computing kpt #: 353 total cpu time spent up to now is 40.3 secs Computing kpt #: 354 total cpu time spent up to now is 40.4 secs Computing kpt #: 355 total cpu time spent up to now is 40.6 secs Computing kpt #: 356 total cpu time spent up to now is 40.7 secs Computing kpt #: 357 total cpu time spent up to now is 40.8 secs Computing kpt #: 358 total cpu time spent up to now is 40.9 secs Computing kpt #: 359 total cpu time spent up to now is 41.0 secs Computing kpt #: 360 total cpu time spent up to now is 41.2 secs Computing kpt #: 361 total cpu time spent up to now is 41.3 secs Computing kpt #: 362 total cpu time spent up to now is 41.4 secs Computing kpt #: 363 total cpu time spent up to now is 41.5 secs Computing kpt #: 364 total cpu time spent up to now is 41.6 secs Computing kpt #: 365 total cpu time spent up to now is 41.8 secs Computing kpt #: 366 total cpu time spent up to now is 41.9 secs Computing kpt #: 367 total cpu time spent up to now is 42.0 secs Computing kpt #: 368 total cpu time spent up to now is 42.2 secs Computing kpt #: 369 total cpu time spent up to now is 42.3 secs Computing kpt #: 370 total cpu time spent up to now is 42.5 secs Computing kpt #: 371 total cpu time spent up to now is 42.6 secs Computing kpt #: 372 total cpu time spent up to now is 42.8 secs Computing kpt #: 373 total cpu time spent up to now is 42.9 secs Computing kpt #: 374 total cpu time spent up to now is 43.1 secs Computing kpt #: 375 total cpu time spent up to now is 43.2 secs Computing kpt #: 376 total cpu time spent up to now is 43.3 secs Computing kpt #: 377 total cpu time spent up to now is 43.5 secs Computing kpt #: 378 total cpu time spent up to now is 43.6 secs Computing kpt #: 379 total cpu time spent up to now is 43.7 secs Computing kpt #: 380 total cpu time spent up to now is 43.9 secs Computing kpt #: 381 total cpu time spent up to now is 44.0 secs Computing kpt #: 382 total cpu time spent up to now is 44.1 secs Computing kpt #: 383 total cpu time spent up to now is 44.3 secs Computing kpt #: 384 total cpu time spent up to now is 44.4 secs Computing kpt #: 385 total cpu time spent up to now is 44.6 secs Computing kpt #: 386 total cpu time spent up to now is 44.9 secs Computing kpt #: 387 total cpu time spent up to now is 45.1 secs Computing kpt #: 388 total cpu time spent up to now is 45.2 secs Computing kpt #: 389 total cpu time spent up to now is 45.3 secs Computing kpt #: 390 total cpu time spent up to now is 45.4 secs Computing kpt #: 391 total cpu time spent up to now is 45.5 secs Computing kpt #: 392 total cpu time spent up to now is 45.6 secs Computing kpt #: 393 total cpu time spent up to now is 45.7 secs Computing kpt #: 394 total cpu time spent up to now is 45.8 secs Computing kpt #: 395 total cpu time spent up to now is 45.9 secs Computing kpt #: 396 total cpu time spent up to now is 46.0 secs Computing kpt #: 397 total cpu time spent up to now is 46.1 secs Computing kpt #: 398 total cpu time spent up to now is 46.3 secs Computing kpt #: 399 total cpu time spent up to now is 46.4 secs Computing kpt #: 400 total cpu time spent up to now is 46.5 secs Computing kpt #: 401 total cpu time spent up to now is 46.6 secs Computing kpt #: 402 total cpu time spent up to now is 46.7 secs Computing kpt #: 403 total cpu time spent up to now is 46.9 secs Computing kpt #: 404 total cpu time spent up to now is 47.0 secs Computing kpt #: 405 total cpu time spent up to now is 47.2 secs Computing kpt #: 406 total cpu time spent up to now is 47.3 secs Computing kpt #: 407 total cpu time spent up to now is 47.5 secs Computing kpt #: 408 total cpu time spent up to now is 47.6 secs Computing kpt #: 409 total cpu time spent up to now is 47.8 secs Computing kpt #: 410 total cpu time spent up to now is 47.9 secs Computing kpt #: 411 total cpu time spent up to now is 48.0 secs Computing kpt #: 412 total cpu time spent up to now is 48.1 secs Computing kpt #: 413 total cpu time spent up to now is 48.2 secs Computing kpt #: 414 total cpu time spent up to now is 48.3 secs Computing kpt #: 415 total cpu time spent up to now is 48.4 secs Computing kpt #: 416 total cpu time spent up to now is 48.5 secs Computing kpt #: 417 total cpu time spent up to now is 48.6 secs Computing kpt #: 418 total cpu time spent up to now is 48.7 secs Computing kpt #: 419 total cpu time spent up to now is 48.8 secs Computing kpt #: 420 total cpu time spent up to now is 48.9 secs Computing kpt #: 421 total cpu time spent up to now is 49.0 secs Computing kpt #: 422 total cpu time spent up to now is 49.0 secs Computing kpt #: 423 total cpu time spent up to now is 49.1 secs Computing kpt #: 424 total cpu time spent up to now is 49.2 secs Computing kpt #: 425 total cpu time spent up to now is 49.3 secs Computing kpt #: 426 total cpu time spent up to now is 49.4 secs Computing kpt #: 427 total cpu time spent up to now is 49.5 secs Computing kpt #: 428 total cpu time spent up to now is 49.6 secs Computing kpt #: 429 total cpu time spent up to now is 49.7 secs Computing kpt #: 430 total cpu time spent up to now is 49.8 secs Computing kpt #: 431 total cpu time spent up to now is 49.9 secs Computing kpt #: 432 total cpu time spent up to now is 50.1 secs Computing kpt #: 433 total cpu time spent up to now is 50.2 secs Computing kpt #: 434 total cpu time spent up to now is 50.4 secs Computing kpt #: 435 total cpu time spent up to now is 50.5 secs Computing kpt #: 436 total cpu time spent up to now is 50.7 secs Computing kpt #: 437 total cpu time spent up to now is 50.8 secs Computing kpt #: 438 total cpu time spent up to now is 51.0 secs Computing kpt #: 439 total cpu time spent up to now is 51.1 secs Computing kpt #: 440 total cpu time spent up to now is 51.3 secs Computing kpt #: 441 total cpu time spent up to now is 51.4 secs Computing kpt #: 442 total cpu time spent up to now is 51.5 secs Computing kpt #: 443 total cpu time spent up to now is 51.6 secs Computing kpt #: 444 total cpu time spent up to now is 51.8 secs Computing kpt #: 445 total cpu time spent up to now is 51.9 secs Computing kpt #: 446 total cpu time spent up to now is 52.0 secs Computing kpt #: 447 total cpu time spent up to now is 52.1 secs Computing kpt #: 448 total cpu time spent up to now is 52.2 secs Computing kpt #: 449 total cpu time spent up to now is 52.4 secs Computing kpt #: 450 total cpu time spent up to now is 52.5 secs Computing kpt #: 451 total cpu time spent up to now is 52.6 secs Computing kpt #: 452 total cpu time spent up to now is 52.7 secs Computing kpt #: 453 total cpu time spent up to now is 52.9 secs Computing kpt #: 454 total cpu time spent up to now is 53.0 secs Computing kpt #: 455 total cpu time spent up to now is 53.1 secs Computing kpt #: 456 total cpu time spent up to now is 53.2 secs Computing kpt #: 457 total cpu time spent up to now is 53.4 secs Computing kpt #: 458 total cpu time spent up to now is 53.5 secs Computing kpt #: 459 total cpu time spent up to now is 53.6 secs Computing kpt #: 460 total cpu time spent up to now is 53.7 secs Computing kpt #: 461 total cpu time spent up to now is 53.8 secs Computing kpt #: 462 total cpu time spent up to now is 54.0 secs Computing kpt #: 463 total cpu time spent up to now is 54.1 secs Computing kpt #: 464 total cpu time spent up to now is 54.2 secs Computing kpt #: 465 total cpu time spent up to now is 54.3 secs Computing kpt #: 466 total cpu time spent up to now is 54.5 secs Computing kpt #: 467 total cpu time spent up to now is 54.7 secs Computing kpt #: 468 total cpu time spent up to now is 54.8 secs Computing kpt #: 469 total cpu time spent up to now is 54.9 secs Computing kpt #: 470 total cpu time spent up to now is 55.0 secs Computing kpt #: 471 total cpu time spent up to now is 55.2 secs Computing kpt #: 472 total cpu time spent up to now is 55.3 secs Computing kpt #: 473 total cpu time spent up to now is 55.4 secs Computing kpt #: 474 total cpu time spent up to now is 55.5 secs Computing kpt #: 475 total cpu time spent up to now is 55.7 secs Computing kpt #: 476 total cpu time spent up to now is 55.8 secs Computing kpt #: 477 total cpu time spent up to now is 55.9 secs Computing kpt #: 478 total cpu time spent up to now is 56.0 secs Computing kpt #: 479 total cpu time spent up to now is 56.1 secs Computing kpt #: 480 total cpu time spent up to now is 56.2 secs Computing kpt #: 481 total cpu time spent up to now is 56.4 secs Computing kpt #: 482 total cpu time spent up to now is 56.5 secs Computing kpt #: 483 total cpu time spent up to now is 56.6 secs Computing kpt #: 484 total cpu time spent up to now is 56.7 secs Computing kpt #: 485 total cpu time spent up to now is 56.8 secs Computing kpt #: 486 total cpu time spent up to now is 56.9 secs Computing kpt #: 487 total cpu time spent up to now is 57.0 secs Computing kpt #: 488 total cpu time spent up to now is 57.2 secs Computing kpt #: 489 total cpu time spent up to now is 57.3 secs Computing kpt #: 490 total cpu time spent up to now is 57.4 secs Computing kpt #: 491 total cpu time spent up to now is 57.6 secs Computing kpt #: 492 total cpu time spent up to now is 57.7 secs Computing kpt #: 493 total cpu time spent up to now is 57.8 secs Computing kpt #: 494 total cpu time spent up to now is 58.0 secs Computing kpt #: 495 total cpu time spent up to now is 58.1 secs Computing kpt #: 496 total cpu time spent up to now is 58.2 secs Computing kpt #: 497 total cpu time spent up to now is 58.3 secs Computing kpt #: 498 total cpu time spent up to now is 58.5 secs Computing kpt #: 499 total cpu time spent up to now is 58.6 secs Computing kpt #: 500 total cpu time spent up to now is 58.7 secs Computing kpt #: 501 total cpu time spent up to now is 58.9 secs Computing kpt #: 502 total cpu time spent up to now is 59.0 secs Computing kpt #: 503 total cpu time spent up to now is 59.2 secs Computing kpt #: 504 total cpu time spent up to now is 59.3 secs Computing kpt #: 505 total cpu time spent up to now is 59.4 secs Computing kpt #: 506 total cpu time spent up to now is 59.7 secs Computing kpt #: 507 total cpu time spent up to now is 59.8 secs Computing kpt #: 508 total cpu time spent up to now is 59.9 secs Computing kpt #: 509 total cpu time spent up to now is 60.0 secs Computing kpt #: 510 total cpu time spent up to now is 60.1 secs Computing kpt #: 511 total cpu time spent up to now is 60.2 secs Computing kpt #: 512 total cpu time spent up to now is 60.3 secs Computing kpt #: 513 total cpu time spent up to now is 60.4 secs Computing kpt #: 514 total cpu time spent up to now is 60.5 secs Computing kpt #: 515 total cpu time spent up to now is 60.6 secs Computing kpt #: 516 total cpu time spent up to now is 60.7 secs Computing kpt #: 517 total cpu time spent up to now is 60.8 secs Computing kpt #: 518 total cpu time spent up to now is 60.9 secs Computing kpt #: 519 total cpu time spent up to now is 61.1 secs Computing kpt #: 520 total cpu time spent up to now is 61.2 secs Computing kpt #: 521 total cpu time spent up to now is 61.3 secs Computing kpt #: 522 total cpu time spent up to now is 61.4 secs Computing kpt #: 523 total cpu time spent up to now is 61.5 secs Computing kpt #: 524 total cpu time spent up to now is 61.6 secs Computing kpt #: 525 total cpu time spent up to now is 61.8 secs Computing kpt #: 526 total cpu time spent up to now is 61.9 secs Computing kpt #: 527 total cpu time spent up to now is 62.0 secs Computing kpt #: 528 total cpu time spent up to now is 62.1 secs Computing kpt #: 529 total cpu time spent up to now is 62.2 secs Computing kpt #: 530 total cpu time spent up to now is 62.4 secs Computing kpt #: 531 total cpu time spent up to now is 62.5 secs Computing kpt #: 532 total cpu time spent up to now is 62.6 secs Computing kpt #: 533 total cpu time spent up to now is 62.7 secs Computing kpt #: 534 total cpu time spent up to now is 62.8 secs Computing kpt #: 535 total cpu time spent up to now is 62.9 secs Computing kpt #: 536 total cpu time spent up to now is 63.1 secs Computing kpt #: 537 total cpu time spent up to now is 63.2 secs Computing kpt #: 538 total cpu time spent up to now is 63.3 secs Computing kpt #: 539 total cpu time spent up to now is 63.4 secs Computing kpt #: 540 total cpu time spent up to now is 63.6 secs Computing kpt #: 541 total cpu time spent up to now is 63.7 secs Computing kpt #: 542 total cpu time spent up to now is 63.8 secs Computing kpt #: 543 total cpu time spent up to now is 63.9 secs Computing kpt #: 544 total cpu time spent up to now is 64.1 secs Computing kpt #: 545 total cpu time spent up to now is 64.2 secs Computing kpt #: 546 total cpu time spent up to now is 64.3 secs Computing kpt #: 547 total cpu time spent up to now is 64.4 secs Computing kpt #: 548 total cpu time spent up to now is 64.5 secs Computing kpt #: 549 total cpu time spent up to now is 64.7 secs Computing kpt #: 550 total cpu time spent up to now is 64.8 secs Computing kpt #: 551 total cpu time spent up to now is 64.9 secs Computing kpt #: 552 total cpu time spent up to now is 65.0 secs Computing kpt #: 553 total cpu time spent up to now is 65.1 secs Computing kpt #: 554 total cpu time spent up to now is 65.3 secs Computing kpt #: 555 total cpu time spent up to now is 65.4 secs Computing kpt #: 556 total cpu time spent up to now is 65.5 secs Computing kpt #: 557 total cpu time spent up to now is 65.7 secs Computing kpt #: 558 total cpu time spent up to now is 65.8 secs Computing kpt #: 559 total cpu time spent up to now is 66.0 secs Computing kpt #: 560 total cpu time spent up to now is 66.1 secs Computing kpt #: 561 total cpu time spent up to now is 66.2 secs Computing kpt #: 562 total cpu time spent up to now is 66.3 secs Computing kpt #: 563 total cpu time spent up to now is 66.4 secs Computing kpt #: 564 total cpu time spent up to now is 66.6 secs Computing kpt #: 565 total cpu time spent up to now is 66.7 secs Computing kpt #: 566 total cpu time spent up to now is 66.8 secs Computing kpt #: 567 total cpu time spent up to now is 66.9 secs Computing kpt #: 568 total cpu time spent up to now is 67.0 secs Computing kpt #: 569 total cpu time spent up to now is 67.1 secs Computing kpt #: 570 total cpu time spent up to now is 67.2 secs Computing kpt #: 571 total cpu time spent up to now is 67.3 secs Computing kpt #: 572 total cpu time spent up to now is 67.4 secs Computing kpt #: 573 total cpu time spent up to now is 67.6 secs Computing kpt #: 574 total cpu time spent up to now is 67.7 secs Computing kpt #: 575 total cpu time spent up to now is 67.8 secs Computing kpt #: 576 total cpu time spent up to now is 67.9 secs Computing kpt #: 577 total cpu time spent up to now is 68.0 secs Computing kpt #: 578 total cpu time spent up to now is 68.1 secs Computing kpt #: 579 total cpu time spent up to now is 68.2 secs Computing kpt #: 580 total cpu time spent up to now is 68.3 secs Computing kpt #: 581 total cpu time spent up to now is 68.4 secs Computing kpt #: 582 total cpu time spent up to now is 68.5 secs Computing kpt #: 583 total cpu time spent up to now is 68.7 secs Computing kpt #: 584 total cpu time spent up to now is 68.8 secs Computing kpt #: 585 total cpu time spent up to now is 68.9 secs Computing kpt #: 586 total cpu time spent up to now is 69.0 secs Computing kpt #: 587 total cpu time spent up to now is 69.1 secs Computing kpt #: 588 total cpu time spent up to now is 69.2 secs Computing kpt #: 589 total cpu time spent up to now is 69.4 secs Computing kpt #: 590 total cpu time spent up to now is 69.5 secs Computing kpt #: 591 total cpu time spent up to now is 69.6 secs Computing kpt #: 592 total cpu time spent up to now is 69.7 secs Computing kpt #: 593 total cpu time spent up to now is 69.9 secs Computing kpt #: 594 total cpu time spent up to now is 70.0 secs Computing kpt #: 595 total cpu time spent up to now is 70.1 secs Computing kpt #: 596 total cpu time spent up to now is 70.3 secs Computing kpt #: 597 total cpu time spent up to now is 70.4 secs Computing kpt #: 598 total cpu time spent up to now is 70.5 secs Computing kpt #: 599 total cpu time spent up to now is 70.6 secs Computing kpt #: 600 total cpu time spent up to now is 70.8 secs Computing kpt #: 601 total cpu time spent up to now is 70.9 secs Computing kpt #: 602 total cpu time spent up to now is 71.0 secs Computing kpt #: 603 total cpu time spent up to now is 71.1 secs Computing kpt #: 604 total cpu time spent up to now is 71.3 secs Computing kpt #: 605 total cpu time spent up to now is 71.4 secs Computing kpt #: 606 total cpu time spent up to now is 71.5 secs Computing kpt #: 607 total cpu time spent up to now is 71.6 secs Computing kpt #: 608 total cpu time spent up to now is 71.7 secs Computing kpt #: 609 total cpu time spent up to now is 71.8 secs Computing kpt #: 610 total cpu time spent up to now is 71.9 secs Computing kpt #: 611 total cpu time spent up to now is 72.0 secs Computing kpt #: 612 total cpu time spent up to now is 72.2 secs Computing kpt #: 613 total cpu time spent up to now is 72.3 secs Computing kpt #: 614 total cpu time spent up to now is 72.4 secs Computing kpt #: 615 total cpu time spent up to now is 72.5 secs Computing kpt #: 616 total cpu time spent up to now is 72.7 secs Computing kpt #: 617 total cpu time spent up to now is 72.8 secs Computing kpt #: 618 total cpu time spent up to now is 72.9 secs Computing kpt #: 619 total cpu time spent up to now is 73.0 secs Computing kpt #: 620 total cpu time spent up to now is 73.2 secs Computing kpt #: 621 total cpu time spent up to now is 73.3 secs Computing kpt #: 622 total cpu time spent up to now is 73.4 secs Computing kpt #: 623 total cpu time spent up to now is 73.5 secs Computing kpt #: 624 total cpu time spent up to now is 73.6 secs Computing kpt #: 625 total cpu time spent up to now is 73.8 secs Computing kpt #: 626 total cpu time spent up to now is 73.9 secs Computing kpt #: 627 total cpu time spent up to now is 74.0 secs Computing kpt #: 628 total cpu time spent up to now is 74.1 secs Computing kpt #: 629 total cpu time spent up to now is 74.2 secs Computing kpt #: 630 total cpu time spent up to now is 74.3 secs Computing kpt #: 631 total cpu time spent up to now is 74.4 secs Computing kpt #: 632 total cpu time spent up to now is 74.5 secs Computing kpt #: 633 total cpu time spent up to now is 74.7 secs Computing kpt #: 634 total cpu time spent up to now is 74.8 secs Computing kpt #: 635 total cpu time spent up to now is 74.9 secs Computing kpt #: 636 total cpu time spent up to now is 75.0 secs Computing kpt #: 637 total cpu time spent up to now is 75.1 secs Computing kpt #: 638 total cpu time spent up to now is 75.2 secs Computing kpt #: 639 total cpu time spent up to now is 75.4 secs Computing kpt #: 640 total cpu time spent up to now is 75.5 secs Computing kpt #: 641 total cpu time spent up to now is 75.6 secs Computing kpt #: 642 total cpu time spent up to now is 75.7 secs Computing kpt #: 643 total cpu time spent up to now is 75.8 secs Computing kpt #: 644 total cpu time spent up to now is 76.0 secs Computing kpt #: 645 total cpu time spent up to now is 76.1 secs Computing kpt #: 646 total cpu time spent up to now is 76.2 secs Computing kpt #: 647 total cpu time spent up to now is 76.3 secs Computing kpt #: 648 total cpu time spent up to now is 76.4 secs Computing kpt #: 649 total cpu time spent up to now is 76.5 secs Computing kpt #: 650 total cpu time spent up to now is 76.6 secs ethr = 5.00E-08, avg # of iterations = 16.2 total cpu time spent up to now is 76.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 861 PWs) bands (ev): -2.4688 -2.4688 -0.4147 -0.4147 -0.3904 -0.3904 5.0135 5.0135 6.4465 6.4465 15.4417 15.4417 15.4541 15.4541 26.1271 26.1271 26.2605 26.2605 26.7518 26.7518 27.3099 27.3099 27.6861 27.6861 27.8395 27.8395 27.9335 27.9335 k = 0.0044 0.0051-0.0000 ( 861 PWs) bands (ev): -2.4674 -2.4674 -0.4133 -0.4133 -0.3890 -0.3890 5.0149 5.0149 6.4478 6.4478 15.4428 15.4428 15.4552 15.4552 26.1089 26.1089 26.1824 26.1824 26.7932 26.7932 27.2830 27.2830 27.7011 27.7011 27.8384 27.8384 27.9311 27.9311 k = 0.0087 0.0101-0.0000 ( 861 PWs) bands (ev): -2.4631 -2.4631 -0.4091 -0.4091 -0.3848 -0.3848 5.0190 5.0190 6.4517 6.4517 15.4460 15.4460 15.4586 15.4586 26.0049 26.0049 26.0575 26.0575 26.8512 26.8512 27.2053 27.2053 27.7437 27.7437 27.8470 27.8470 27.9241 27.9241 k = 0.0131 0.0152-0.0000 ( 861 PWs) bands (ev): -2.4561 -2.4561 -0.4021 -0.4021 -0.3779 -0.3779 5.0259 5.0259 6.4582 6.4582 15.4515 15.4515 15.4642 15.4642 25.7889 25.7889 25.9759 25.9759 26.8527 26.8527 27.0842 27.0842 27.8074 27.8074 27.8870 27.8870 27.9139 27.9139 k = 0.0175 0.0202-0.0000 ( 865 PWs) bands (ev): -2.4462 -2.4462 -0.3924 -0.3924 -0.3681 -0.3681 5.0356 5.0356 6.4673 6.4673 15.4592 15.4592 15.4720 15.4720 25.5545 25.5545 25.8715 25.8715 26.7794 26.7794 26.9289 26.9289 27.8635 27.8635 27.9217 27.9217 27.9633 27.9633 k = 0.0218 0.0253-0.0000 ( 865 PWs) bands (ev): -2.4335 -2.4335 -0.3798 -0.3798 -0.3555 -0.3555 5.0481 5.0481 6.4790 6.4790 15.4691 15.4691 15.4820 15.4820 25.3103 25.3103 25.7494 25.7494 26.6458 26.6458 26.7479 26.7479 27.8504 27.8504 28.0053 28.0053 28.0536 28.0536 k = 0.0262 0.0303-0.0000 ( 865 PWs) bands (ev): -2.4180 -2.4180 -0.3644 -0.3644 -0.3401 -0.3401 5.0634 5.0634 6.4933 6.4933 15.4811 15.4811 15.4942 15.4942 25.0605 25.0605 25.6138 25.6138 26.4725 26.4725 26.5481 26.5481 27.8153 27.8153 28.1094 28.1094 28.1349 28.1349 k = 0.0305 0.0354-0.0000 ( 865 PWs) bands (ev): -2.3997 -2.3997 -0.3463 -0.3463 -0.3220 -0.3220 5.0814 5.0814 6.5102 6.5102 15.4953 15.4953 15.5087 15.5087 24.8073 24.8073 25.4679 25.4679 26.2743 26.2743 26.3350 26.3350 27.7683 27.7683 28.1829 28.1829 28.2231 28.2231 k = 0.0349 0.0404-0.0000 ( 865 PWs) bands (ev): -2.3786 -2.3786 -0.3253 -0.3253 -0.3010 -0.3010 5.1021 5.1021 6.5297 6.5297 15.5117 15.5117 15.5253 15.5253 24.5523 24.5523 25.3140 25.3140 26.0603 26.0603 26.1122 26.1122 27.7093 27.7093 28.1931 28.1931 28.3106 28.3106 k = 0.0393 0.0455-0.0000 ( 865 PWs) bands (ev): -2.3546 -2.3546 -0.3016 -0.3016 -0.2773 -0.2773 5.1257 5.1257 6.5517 6.5517 15.5302 15.5302 15.5442 15.5442 24.2964 24.2964 25.1536 25.1536 25.8363 25.8363 25.8828 25.8828 27.6375 27.6375 28.1576 28.1576 28.1722 28.1722 k = 0.0436 0.0505-0.0000 ( 865 PWs) bands (ev): -2.3278 -2.3278 -0.2751 -0.2751 -0.2507 -0.2507 5.1520 5.1520 6.5764 6.5764 15.5508 15.5508 15.5652 15.5652 24.0403 24.0403 24.9882 24.9882 25.6055 25.6055 25.6487 25.6487 27.5522 27.5522 28.0020 28.0020 28.0819 28.0819 k = 0.0480 0.0556-0.0000 ( 865 PWs) bands (ev): -2.2982 -2.2982 -0.2457 -0.2457 -0.2214 -0.2214 5.1811 5.1811 6.6037 6.6037 15.5735 15.5735 15.5883 15.5883 23.7846 23.7846 24.8185 24.8185 25.3705 25.3705 25.4115 25.4115 27.4535 27.4535 27.8271 27.8271 27.9708 27.9708 k = 0.0524 0.0606-0.0000 ( 869 PWs) bands (ev): -2.2658 -2.2658 -0.2137 -0.2137 -0.1893 -0.1893 5.2129 5.2129 6.6335 6.6335 15.5983 15.5983 15.6136 15.6136 23.5295 23.5295 24.6454 24.6454 25.1328 25.1328 25.1722 25.1722 27.3419 27.3419 27.6484 27.6484 27.8327 27.8327 k = 0.0567 0.0657-0.0000 ( 871 PWs) bands (ev): -2.2306 -2.2306 -0.1788 -0.1788 -0.1544 -0.1544 5.2475 5.2475 6.6660 6.6660 15.6252 15.6252 15.6410 15.6410 23.2755 23.2755 24.4694 24.4694 24.8934 24.8934 24.9319 24.9319 27.2182 27.2182 27.4669 27.4669 27.6742 27.6742 k = 0.0611 0.0708-0.0000 ( 871 PWs) bands (ev): -2.1926 -2.1926 -0.1411 -0.1411 -0.1168 -0.1168 5.2848 5.2848 6.7010 6.7010 15.6541 15.6541 15.6705 15.6705 23.0227 23.0227 24.2910 24.2910 24.6533 24.6533 24.6910 24.6910 27.0838 27.0838 27.2831 27.2831 27.5006 27.5006 k = 0.0654 0.0758-0.0000 ( 869 PWs) bands (ev): -2.1518 -2.1518 -0.1007 -0.1007 -0.0763 -0.0763 5.3249 5.3249 6.7386 6.7386 15.6850 15.6850 15.7021 15.7021 22.7714 22.7714 24.1106 24.1106 24.4130 24.4130 24.4502 24.4502 26.9401 26.9401 27.0976 27.0976 27.3160 27.3160 k = 0.0698 0.0809-0.0000 ( 869 PWs) bands (ev): -2.1082 -2.1082 -0.0574 -0.0574 -0.0331 -0.0331 5.3677 5.3677 6.7788 6.7788 15.7178 15.7178 15.7357 15.7357 22.5216 22.5216 23.9285 23.9285 24.1730 24.1730 24.2099 24.2099 26.7884 26.7884 26.9109 26.9109 27.1234 27.1234 k = 0.0742 0.0859-0.0000 ( 861 PWs) bands (ev): -2.0617 -2.0617 -0.0114 -0.0114 0.0130 0.0130 5.4133 5.4133 6.8215 6.8215 15.7526 15.7526 15.7713 15.7713 22.2736 22.2736 23.7451 23.7451 23.9338 23.9338 23.9703 23.9703 26.6303 26.6303 26.7233 26.7233 26.9250 26.9250 k = 0.0785 0.0910-0.0000 ( 863 PWs) bands (ev): -2.0125 -2.0125 0.0374 0.0374 0.0618 0.0618 5.4616 5.4616 6.8669 6.8669 15.7892 15.7892 15.8089 15.8089 22.0273 22.0273 23.5606 23.5606 23.6954 23.6954 23.7317 23.7317 26.4667 26.4667 26.5351 26.5351 26.7226 26.7226 k = 0.0829 0.0960-0.0000 ( 859 PWs) bands (ev): -1.9604 -1.9604 0.0889 0.0889 0.1133 0.1133 5.5127 5.5127 6.9148 6.9148 15.8277 15.8277 15.8484 15.8484 21.7830 21.7830 23.3751 23.3751 23.4583 23.4583 23.4944 23.4944 26.2989 26.2989 26.3468 26.3468 26.5174 26.5174 k = 0.0873 0.1011-0.0000 ( 863 PWs) bands (ev): -1.9056 -1.9056 0.1432 0.1432 0.1677 0.1677 5.5665 5.5665 6.9652 6.9652 15.8679 15.8679 15.8898 15.8898 21.5407 21.5407 23.1889 23.1889 23.2228 23.2228 23.2585 23.2585 26.1276 26.1276 26.1586 26.1586 26.3103 26.3103 k = 0.0916 0.1061-0.0000 ( 863 PWs) bands (ev): -1.8480 -1.8480 0.2003 0.2003 0.2248 0.2248 5.6230 5.6230 7.0182 7.0182 15.9099 15.9099 15.9330 15.9330 21.3004 21.3004 22.9874 22.9874 23.0034 23.0034 23.0244 23.0244 25.9537 25.9537 25.9709 25.9709 26.1022 26.1022 k = 0.0960 0.1112-0.0000 ( 863 PWs) bands (ev): -1.7876 -1.7876 0.2602 0.2602 0.2846 0.2846 5.6822 5.6822 7.0738 7.0738 15.9535 15.9535 15.9780 15.9780 21.0623 21.0623 22.7554 22.7554 22.7910 22.7910 22.8168 22.8168 25.7773 25.7773 25.7845 25.7845 25.8936 25.8936 k = 0.1004 0.1162-0.0000 ( 863 PWs) bands (ev): -1.7243 -1.7243 0.3228 0.3228 0.3473 0.3473 5.7442 5.7442 7.1319 7.1319 15.9987 15.9987 16.0248 16.0248 20.8263 20.8263 22.5247 22.5247 22.5603 22.5603 22.6297 22.6297 25.5954 25.5954 25.6031 25.6031 25.6850 25.6850 k = 0.1047 0.1213-0.0000 ( 867 PWs) bands (ev): -1.6584 -1.6584 0.3881 0.3881 0.4126 0.4126 5.8089 5.8089 7.1925 7.1925 16.0454 16.0454 16.0732 16.0732 20.5925 20.5925 22.2958 22.2958 22.3314 22.3314 22.4430 22.4430 25.4106 25.4106 25.4250 25.4250 25.4768 25.4768 k = 0.1091 0.1264-0.0000 ( 863 PWs) bands (ev): -1.5896 -1.5896 0.4562 0.4562 0.4808 0.4808 5.8763 5.8763 7.2557 7.2557 16.0935 16.0935 16.1233 16.1233 20.3610 20.3610 22.0688 22.0688 22.1043 22.1043 22.2565 22.2565 25.2267 25.2267 25.2470 25.2470 25.2694 25.2694 k = 0.1134 0.1314-0.0000 ( 863 PWs) bands (ev): -1.5180 -1.5180 0.5271 0.5271 0.5517 0.5517 5.9464 5.9464 7.3214 7.3214 16.1429 16.1429 16.1748 16.1748 20.1317 20.1317 21.8438 21.8438 21.8793 21.8793 22.0705 22.0705 25.0442 25.0442 25.0622 25.0622 25.0700 25.0700 k = 0.1178 0.1365-0.0000 ( 863 PWs) bands (ev): -1.4437 -1.4437 0.6007 0.6007 0.6253 0.6253 6.0192 6.0192 7.3897 7.3897 16.1935 16.1935 16.2278 16.2278 19.9048 19.9048 21.6209 21.6209 21.6564 21.6564 21.8849 21.8849 24.8570 24.8570 24.8634 24.8634 24.8927 24.8927 k = 0.1222 0.1415-0.0000 ( 863 PWs) bands (ev): -1.3666 -1.3666 0.6771 0.6771 0.7017 0.7017 6.0947 6.0947 7.4604 7.4604 16.2451 16.2451 16.2822 16.2822 19.6801 19.6801 21.4002 21.4002 21.4355 21.4355 21.7001 21.7001 24.6529 24.6529 24.6844 24.6844 24.7167 24.7167 k = 0.1265 0.1466-0.0000 ( 863 PWs) bands (ev): -1.2867 -1.2867 0.7562 0.7562 0.7808 0.7808 6.1729 6.1729 7.5336 7.5336 16.2977 16.2977 16.3378 16.3378 19.4579 19.4579 21.1816 21.1816 21.2169 21.2169 21.5161 21.5161 24.4501 24.4501 24.5077 24.5077 24.5419 24.5419 k = 0.1309 0.1516-0.0000 ( 859 PWs) bands (ev): -1.2041 -1.2041 0.8380 0.8380 0.8627 0.8627 6.2537 6.2537 7.6094 7.6094 16.3510 16.3510 16.3945 16.3945 19.2380 19.2380 20.9652 20.9652 21.0004 21.0004 21.3330 21.3330 24.2490 24.2490 24.3333 24.3333 24.3687 24.3687 k = 0.1353 0.1567-0.0000 ( 859 PWs) bands (ev): -1.1187 -1.1187 0.9226 0.9226 0.9473 0.9473 6.3372 6.3372 7.6876 7.6876 16.4049 16.4049 16.4522 16.4522 19.0206 19.0206 20.7510 20.7510 20.7863 20.7863 21.1509 21.1509 24.0495 24.0495 24.1615 24.1615 24.1974 24.1974 k = 0.1396 0.1617-0.0000 ( 859 PWs) bands (ev): -1.0305 -1.0305 1.0099 1.0099 1.0346 1.0346 6.4234 6.4234 7.7683 7.7683 16.4592 16.4592 16.5107 16.5107 18.8055 18.8055 20.5391 20.5391 20.5743 20.5743 20.9701 20.9701 23.8517 23.8517 23.9926 23.9926 24.0283 24.0283 k = 0.1440 0.1668-0.0000 ( 859 PWs) bands (ev): -0.9396 -0.9396 1.0999 1.0999 1.1247 1.1247 6.5123 6.5123 7.8515 7.8515 16.5136 16.5136 16.5700 16.5700 18.5929 18.5929 20.3296 20.3296 20.3647 20.3647 20.7906 20.7906 23.6558 23.6558 23.8268 23.8268 23.8615 23.8615 k = 0.1483 0.1718-0.0000 ( 857 PWs) bands (ev): -0.8460 -0.8460 1.1926 1.1926 1.2174 1.2174 6.6038 6.6038 7.9371 7.9371 16.5679 16.5679 16.6297 16.6297 18.3828 18.3828 20.1223 20.1223 20.1575 20.1575 20.6126 20.6126 23.4619 23.4619 23.6644 23.6644 23.6975 23.6975 k = 0.1527 0.1769-0.0000 ( 857 PWs) bands (ev): -0.7496 -0.7496 1.2880 1.2880 1.3129 1.3129 6.6979 6.6979 8.0252 8.0252 16.6218 16.6218 16.6898 16.6898 18.1751 18.1751 19.9174 19.9174 19.9525 19.9525 20.4363 20.4363 23.2698 23.2698 23.5056 23.5056 23.5365 23.5365 k = 0.1571 0.1819-0.0000 ( 857 PWs) bands (ev): -0.6504 -0.6504 1.3861 1.3861 1.4111 1.4111 6.7947 6.7947 8.1157 8.1157 16.6750 16.6750 16.7500 16.7500 17.9699 17.9699 19.7149 19.7149 19.7500 19.7500 20.2617 20.2617 23.0798 23.0798 23.3507 23.3507 23.3788 23.3788 k = 0.1614 0.1870-0.0000 ( 857 PWs) bands (ev): -0.5486 -0.5486 1.4870 1.4870 1.5120 1.5120 6.8941 6.8941 8.2086 8.2086 16.7269 16.7269 16.8100 16.8100 17.7672 17.7672 19.5148 19.5148 19.5498 19.5498 20.0892 20.0892 22.8919 22.8919 23.2001 23.2001 23.2247 23.2247 k = 0.1658 0.1921-0.0000 ( 855 PWs) bands (ev): -0.4440 -0.4440 1.5905 1.5905 1.6156 1.6156 6.9961 6.9961 8.3039 8.3039 16.7774 16.7774 16.8697 16.8697 17.5670 17.5670 19.3171 19.3171 19.3521 19.3521 19.9188 19.9188 22.7061 22.7061 23.0542 23.0542 23.0746 23.0746 k = 0.1702 0.1971-0.0000 ( 855 PWs) bands (ev): -0.3366 -0.3366 1.6967 1.6967 1.7218 1.7218 7.1008 7.1008 8.4016 8.4016 16.8257 16.8257 16.9285 16.9285 17.3693 17.3693 19.1218 19.1218 19.1567 19.1567 19.7507 19.7507 22.5224 22.5224 22.9132 22.9132 22.9288 22.9288 k = 0.1745 0.2022-0.0000 ( 859 PWs) bands (ev): -0.2266 -0.2266 1.8056 1.8056 1.8308 1.8308 7.2080 7.2080 8.5017 8.5017 16.8713 16.8713 16.9862 16.9862 17.1744 17.1744 18.9289 18.9289 18.9639 18.9639 19.5854 19.5854 22.3409 22.3409 22.7775 22.7775 22.7878 22.7878 k = 0.1789 0.2072-0.0000 ( 859 PWs) bands (ev): -0.1139 -0.1139 1.9172 1.9172 1.9424 1.9424 7.3178 7.3178 8.6041 8.6041 16.9131 16.9131 16.9808 16.9808 17.0442 17.0442 18.7385 18.7385 18.7734 18.7734 19.4229 19.4229 22.1615 22.1615 22.6468 22.6468 22.6526 22.6526 k = 0.1833 0.2123-0.0000 ( 859 PWs) bands (ev): 0.0016 0.0016 2.0314 2.0314 2.0568 2.0568 7.4302 7.4302 8.7089 8.7089 16.7905 16.7905 16.9526 16.9526 17.0980 17.0980 18.5505 18.5505 18.5855 18.5855 19.2638 19.2638 21.9844 21.9844 22.5188 22.5188 22.5267 22.5267 k = 0.1876 0.2173-0.0000 ( 859 PWs) bands (ev): 0.1197 0.1197 2.1483 2.1483 2.1737 2.1737 7.5452 7.5452 8.8160 8.8160 16.6031 16.6031 16.9858 16.9858 17.1504 17.1504 18.3651 18.3651 18.4000 18.4000 19.1084 19.1084 21.8096 21.8096 22.3944 22.3944 22.4098 22.4098 k = 0.1920 0.2224-0.0000 ( 859 PWs) bands (ev): 0.2406 0.2406 2.2678 2.2678 2.2934 2.2934 7.6627 7.6627 8.9253 8.9253 16.4182 16.4182 17.0133 17.0133 17.2001 17.2001 18.1821 18.1821 18.2170 18.2170 18.9571 18.9571 21.6370 21.6370 22.2760 22.2760 22.3008 22.3008 k = 0.1963 0.2274-0.0000 ( 859 PWs) bands (ev): 0.3641 0.3641 2.3900 2.3900 2.4156 2.4156 7.7828 7.7828 9.0369 9.0369 16.2357 16.2357 17.0339 17.0339 17.2466 17.2466 18.0016 18.0016 18.0365 18.0365 18.8107 18.8107 21.4667 21.4667 22.1642 22.1642 22.1999 22.1999 k = 0.2007 0.2325-0.0000 ( 861 PWs) bands (ev): 0.4903 0.4903 2.5148 2.5148 2.5406 2.5406 7.9053 7.9053 9.1508 9.1508 16.0557 16.0557 17.0462 17.0462 17.2893 17.2893 17.8236 17.8236 17.8585 17.8585 18.6698 18.6698 21.2987 21.2987 22.0598 22.0598 22.1076 22.1076 k = 0.2051 0.2375-0.0000 ( 857 PWs) bands (ev): 0.6192 0.6192 2.6423 2.6423 2.6681 2.6681 8.0305 8.0305 9.2669 9.2669 15.8784 15.8784 17.0490 17.0490 17.3277 17.3277 17.6483 17.6483 17.6832 17.6832 18.5353 18.5353 21.1331 21.1331 21.9631 21.9631 22.0245 22.0245 k = 0.2094 0.2426-0.0000 ( 857 PWs) bands (ev): 0.7507 0.7507 2.7724 2.7724 2.7983 2.7983 8.1581 8.1581 9.3851 9.3851 15.7036 15.7036 17.0409 17.0409 17.3602 17.3602 17.4760 17.4760 17.5108 17.5108 18.4078 18.4078 20.9697 20.9697 21.8747 21.8747 21.9511 21.9511 k = 0.2138 0.2477-0.0000 ( 857 PWs) bands (ev): 0.8849 0.8849 2.9051 2.9051 2.9311 2.9311 8.2882 8.2882 9.5055 9.5055 15.5313 15.5313 17.0205 17.0205 17.3030 17.3030 17.3370 17.3370 17.3947 17.3947 18.2884 18.2884 20.8087 20.8087 21.7951 21.7951 21.8881 21.8881 k = 0.2182 0.2527-0.0000 ( 857 PWs) bands (ev): 1.0218 1.0218 3.0403 3.0403 3.0666 3.0666 8.4208 8.4208 9.6280 9.6280 15.3616 15.3616 16.9866 16.9866 17.1361 17.1361 17.1712 17.1712 17.4144 17.4144 18.1774 18.1774 20.6501 20.6501 21.7246 21.7246 21.8358 21.8358 k = 0.2225 0.2578-0.0000 ( 857 PWs) bands (ev): 1.1613 1.1613 3.1782 3.1782 3.2046 3.2046 8.5558 8.5558 9.7526 9.7526 15.1945 15.1945 16.9374 16.9374 16.9716 16.9716 17.0072 17.0072 17.4302 17.4302 18.0753 18.0753 20.4938 20.4938 21.6637 21.6637 21.7946 21.7946 k = 0.2269 0.2628-0.0000 ( 861 PWs) bands (ev): 1.3034 1.3034 3.3187 3.3187 3.3452 3.3452 8.6933 8.6933 9.8792 9.8792 15.0300 15.0300 16.8073 16.8073 16.8393 16.8393 16.8831 16.8831 17.4396 17.4396 17.9815 17.9815 20.3399 20.3399 21.6125 21.6125 21.7649 21.7649 k = 0.2312 0.2679-0.0000 ( 861 PWs) bands (ev): 1.4481 1.4481 3.4617 3.4617 3.4884 3.4884 8.8332 8.8332 10.0078 10.0078 14.8680 14.8680 16.6473 16.6473 16.6811 16.6811 16.8070 16.8070 17.4420 17.4420 17.8951 17.8951 20.1884 20.1884 21.5714 21.5714 21.7467 21.7467 k = 0.2356 0.2729-0.0000 ( 857 PWs) bands (ev): 1.5955 1.5955 3.6073 3.6073 3.6341 3.6341 8.9756 8.9756 10.1384 10.1384 14.7087 14.7087 16.4896 16.4896 16.5236 16.5236 16.7215 16.7215 17.4374 17.4374 17.8146 17.8146 20.0392 20.0392 21.5401 21.5401 21.7401 21.7401 k = 0.2400 0.2780-0.0000 ( 857 PWs) bands (ev): 1.7454 1.7454 3.7554 3.7554 3.7825 3.7825 9.1203 9.1203 10.2708 10.2708 14.5519 14.5519 16.3344 16.3344 16.3685 16.3685 16.6267 16.6267 17.4254 17.4254 17.7383 17.7383 19.8925 19.8925 21.5187 21.5187 21.7450 21.7450 k = 0.2443 0.2830-0.0000 ( 857 PWs) bands (ev): 1.8979 1.8979 3.9061 3.9061 3.9333 3.9333 9.2674 9.2674 10.4051 10.4051 14.3978 14.3978 16.1817 16.1817 16.2159 16.2159 16.5245 16.5245 17.4064 17.4064 17.6645 17.6645 19.7482 19.7482 21.5066 21.5066 21.7612 21.7612 k = 0.2487 0.2881-0.0000 ( 865 PWs) bands (ev): 2.0531 2.0531 4.0592 4.0592 4.0867 4.0867 9.4168 9.4168 10.5411 10.5411 14.2462 14.2462 16.0315 16.0315 16.0657 16.0657 16.4165 16.4165 17.3804 17.3804 17.5917 17.5917 19.6062 19.6062 21.5036 21.5036 21.7882 21.7882 k = 0.2531 0.2931-0.0000 ( 857 PWs) bands (ev): 2.2108 2.2108 4.2149 4.2149 4.2426 4.2426 9.5686 9.5686 10.6789 10.6789 14.0972 14.0972 15.8839 15.8839 15.9182 15.9182 16.3044 16.3044 17.3478 17.3478 17.5188 17.5188 19.4667 19.4667 21.5088 21.5088 21.8255 21.8255 k = 0.2574 0.2982-0.0000 ( 867 PWs) bands (ev): 2.3710 2.3710 4.3731 4.3731 4.4011 4.4011 9.7227 9.7227 10.8182 10.8182 13.9508 13.9508 15.7389 15.7389 15.7731 15.7731 16.1894 16.1894 17.3090 17.3090 17.4451 17.4451 19.3296 19.3296 21.5214 21.5214 21.8726 21.8726 k = 0.2618 0.3032-0.0000 ( 867 PWs) bands (ev): 2.5338 2.5338 4.5337 4.5337 4.5620 4.5620 9.8790 9.8790 10.9591 10.9591 13.8070 13.8070 15.5964 15.5964 15.6306 15.6306 16.0725 16.0725 17.2645 17.2645 17.3702 17.3702 19.1949 19.1949 21.5406 21.5406 21.9289 21.9289 k = 0.2662 0.3083-0.0000 ( 867 PWs) bands (ev): 2.6991 2.6991 4.6968 4.6968 4.7254 4.7254 10.0376 10.0376 11.1014 11.1014 13.6659 13.6659 15.4565 15.4565 15.4907 15.4907 15.9546 15.9546 17.2149 17.2149 17.2936 17.2936 19.0627 19.0627 21.5653 21.5653 21.9936 21.9936 k = 0.2705 0.3134-0.0000 ( 867 PWs) bands (ev): 2.8670 2.8670 4.8624 4.8624 4.8913 4.8913 10.1984 10.1984 11.2451 11.2451 13.5273 13.5273 15.3192 15.3192 15.3534 15.3534 15.8364 15.8364 17.1608 17.1608 17.2155 17.2155 18.9329 18.9329 21.5942 21.5942 22.0659 22.0659 k = 0.2749 0.3184-0.0000 ( 867 PWs) bands (ev): 3.0373 3.0373 5.0303 5.0303 5.0596 5.0596 10.3614 10.3614 11.3901 11.3901 13.3913 13.3913 15.1844 15.1844 15.2186 15.2186 15.7183 15.7183 17.1028 17.1028 17.1359 17.1359 18.8055 18.8055 21.6262 21.6262 22.1452 22.1452 k = 0.2792 0.3235-0.0000 ( 871 PWs) bands (ev): 3.2102 3.2102 5.2007 5.2007 5.2304 5.2304 10.5266 10.5266 11.5361 11.5361 13.2579 13.2579 15.0522 15.0522 15.0863 15.0863 15.6008 15.6008 17.0414 17.0414 17.0550 17.0550 18.6805 18.6805 21.6601 21.6601 22.2307 22.2307 k = 0.2836 0.3285-0.0000 ( 867 PWs) bands (ev): 3.3855 3.3855 5.3734 5.3734 5.4035 5.4035 10.6939 10.6939 11.6831 11.6831 13.1272 13.1272 14.9226 14.9226 14.9567 14.9567 15.4843 15.4843 16.9720 16.9720 16.9784 16.9784 18.5580 18.5580 21.6945 21.6945 22.3214 22.3214 k = 0.2880 0.3336-0.0000 ( 867 PWs) bands (ev): 3.5632 3.5632 5.5485 5.5485 5.5791 5.5791 10.8632 10.8632 11.8309 11.8309 12.9990 12.9990 14.7955 14.7955 14.8296 14.8296 15.3689 15.3689 16.8894 16.8894 16.9120 16.9120 18.4379 18.4379 21.7281 21.7281 22.4164 22.4164 k = 0.2923 0.3386-0.0000 ( 867 PWs) bands (ev): 3.7434 3.7434 5.7260 5.7260 5.7570 5.7570 11.0346 11.0346 11.9793 11.9793 12.8735 12.8735 14.6711 14.6711 14.7051 14.7051 15.2549 15.2549 16.8058 16.8058 16.8445 16.8445 18.3203 18.3203 21.7600 21.7600 22.5147 22.5147 k = 0.2967 0.3437-0.0000 ( 871 PWs) bands (ev): 3.9260 3.9260 5.9057 5.9057 5.9373 5.9373 11.2079 11.2079 12.1282 12.1282 12.7505 12.7505 14.5492 14.5492 14.5832 14.5832 15.1425 15.1425 16.7219 16.7219 16.7762 16.7762 18.2051 18.2051 21.7889 21.7889 22.6151 22.6151 k = 0.3011 0.3487-0.0000 ( 867 PWs) bands (ev): 4.1110 4.1110 6.0877 6.0877 6.1199 6.1199 11.3831 11.3831 12.2773 12.2773 12.6302 12.6302 14.4299 14.4299 14.4639 14.4639 15.0319 15.0319 16.6378 16.6378 16.7074 16.7074 18.0923 18.0923 21.8141 21.8141 22.7161 22.7161 k = 0.3054 0.3538-0.0000 ( 861 PWs) bands (ev): 4.2983 4.2983 6.2719 6.2719 6.3048 6.3048 11.5602 11.5602 12.4262 12.4262 12.5126 12.5126 14.3131 14.3131 14.3471 14.3471 14.9232 14.9232 16.5540 16.5540 16.6388 16.6388 17.9820 17.9820 21.8350 21.8350 22.8157 22.8157 k = 0.3098 0.3588-0.0000 ( 861 PWs) bands (ev): 4.4880 4.4880 6.4584 6.4584 6.4919 6.4919 11.7391 11.7391 12.3973 12.3973 12.5751 12.5751 14.1990 14.1990 14.2330 14.2330 14.8165 14.8165 16.4706 16.4706 16.5708 16.5708 17.8741 17.8741 21.8511 21.8511 22.9114 22.9114 k = 0.3142 0.3639-0.0000 ( 859 PWs) bands (ev): 4.6800 4.6800 6.6470 6.6470 6.6813 6.6813 11.9196 11.9196 12.2849 12.2849 12.7231 12.7231 14.0874 14.0874 14.1214 14.1214 14.7120 14.7120 16.3879 16.3879 16.5040 16.5040 17.7687 17.7687 21.8625 21.8625 22.9996 22.9996 k = 0.3185 0.3690-0.0000 ( 861 PWs) bands (ev): 4.8743 4.8743 6.8377 6.8377 6.8729 6.8729 12.1014 12.1014 12.1752 12.1752 12.8700 12.8700 13.9785 13.9785 14.0124 14.0124 14.6098 14.6098 16.3060 16.3060 16.4388 16.4388 17.6658 17.6658 21.8692 21.8692 23.0758 23.0758 k = 0.3229 0.3740-0.0000 ( 865 PWs) bands (ev): 5.0708 5.0708 7.0305 7.0305 7.0667 7.0667 12.0676 12.0676 12.2852 12.2852 13.0154 13.0154 13.8721 13.8721 13.9059 13.9059 14.5100 14.5100 16.2254 16.2254 16.3759 16.3759 17.5653 17.5653 21.8718 21.8718 23.0475 23.0475 k = 0.3272 0.3791-0.0000 ( 865 PWs) bands (ev): 5.2696 5.2696 7.2254 7.2254 7.2626 7.2626 11.9629 11.9629 12.4699 12.4699 13.1587 13.1587 13.7684 13.7684 13.8021 13.8021 14.4127 14.4127 16.1461 16.1461 16.3158 16.3158 17.4672 17.4672 21.8709 21.8709 22.9323 22.9323 k = 0.3316 0.3841-0.0000 ( 869 PWs) bands (ev): 5.4705 5.4705 7.4222 7.4222 7.4606 7.4606 11.8609 11.8609 12.6555 12.6555 13.2992 13.2992 13.6674 13.6674 13.7009 13.7009 14.3182 14.3182 16.0685 16.0685 16.2591 16.2591 17.3716 17.3716 21.8671 21.8671 22.8199 22.8199 k = 0.3360 0.3892-0.0000 ( 861 PWs) bands (ev): 5.6736 5.6736 7.6209 7.6209 7.6607 7.6607 11.7615 11.7615 12.8417 12.8417 13.4357 13.4357 13.5695 13.5695 13.6023 13.6023 14.2267 14.2267 15.9927 15.9927 16.2066 16.2066 17.2784 17.2784 21.8613 21.8613 22.7103 22.7103 k = 0.3403 0.3942-0.0000 ( 861 PWs) bands (ev): 5.8787 5.8787 7.8215 7.8215 7.8627 7.8627 11.6647 11.6647 13.0278 13.0278 13.4709 13.4709 13.5059 13.5059 13.5715 13.5715 14.1387 14.1387 15.9190 15.9190 16.1590 16.1590 17.1877 17.1877 21.8544 21.8544 22.6036 22.6036 k = 0.3447 0.3993-0.0000 ( 861 PWs) bands (ev): 6.0859 6.0859 8.0238 8.0238 8.0666 8.0666 11.5704 11.5704 13.2123 13.2123 13.3791 13.3791 13.4126 13.4126 13.6981 13.6981 14.0552 14.0552 15.8478 15.8478 16.1174 16.1174 17.0995 17.0995 21.8472 21.8472 22.4997 22.4997 k = 0.3491 0.4043-0.0000 ( 861 PWs) bands (ev): 6.2950 6.2950 8.2278 8.2278 8.2725 8.2725 11.4788 11.4788 13.2860 13.2860 13.3217 13.3217 13.3957 13.3957 13.8192 13.8192 13.9788 13.9788 15.7795 15.7795 16.0826 16.0826 17.0137 17.0137 21.8406 21.8406 22.3986 22.3986 k = 0.3534 0.4094-0.0000 ( 865 PWs) bands (ev): 6.5060 6.5060 8.4334 8.4334 8.4801 8.4801 11.3899 11.3899 13.1988 13.1988 13.2334 13.2334 13.5616 13.5616 13.9167 13.9167 13.9350 13.9350 15.7145 15.7145 16.0559 16.0559 16.9304 16.9304 21.8352 21.8352 22.3004 22.3004 k = 0.3578 0.4144-0.0000 ( 865 PWs) bands (ev): 6.7189 6.7189 8.6404 8.6404 8.6895 8.6895 11.3035 11.3035 13.1133 13.1133 13.1477 13.1477 13.6696 13.6696 13.9190 13.9190 14.0382 14.0382 15.6535 15.6535 16.0384 16.0384 16.8495 16.8495 21.8320 21.8320 22.2051 22.2051 k = 0.3621 0.4195-0.0000 ( 865 PWs) bands (ev): 6.9335 6.9335 8.8487 8.8487 8.9005 8.9005 11.2197 11.2197 13.0303 13.0303 13.0645 13.0645 13.6631 13.6631 14.0346 14.0346 14.1334 14.1334 15.5976 15.5976 16.0314 16.0314 16.7711 16.7711 21.8316 21.8316 22.1126 22.1126 k = 0.3665 0.4245-0.0000 ( 869 PWs) bands (ev): 7.1498 7.1498 9.0583 9.0583 9.1130 9.1130 11.1386 11.1386 12.9498 12.9498 12.9840 12.9840 13.6095 13.6095 14.1886 14.1886 14.2253 14.2253 15.5483 15.5483 16.0357 16.0357 16.6952 16.6952 21.8346 21.8346 22.0230 22.0230 k = 0.3709 0.4296-0.0000 ( 869 PWs) bands (ev): 7.3676 7.3676 9.2688 9.2688 9.3270 9.3270 11.0600 11.0600 12.8719 12.8719 12.9061 12.9061 13.5472 13.5472 14.2793 14.2793 14.3736 14.3736 15.5084 15.5084 16.0522 16.0522 16.6218 16.6218 21.8417 21.8417 21.9363 21.9363 k = 0.3752 0.4347-0.0000 ( 869 PWs) bands (ev): 7.5868 7.5868 9.4801 9.4801 9.5422 9.5422 10.9841 10.9841 12.7966 12.7966 12.8307 12.8307 13.4843 13.4843 14.3380 14.3380 14.5339 14.5339 15.4824 15.4824 16.0809 16.0809 16.5509 16.5509 21.8523 21.8523 21.8536 21.8536 k = 0.3796 0.4397-0.0000 ( 869 PWs) bands (ev): 7.8073 7.8073 9.6919 9.6919 9.7586 9.7586 10.9108 10.9108 12.7238 12.7238 12.7579 12.7579 13.4232 13.4232 14.3826 14.3826 14.6782 14.6782 15.4782 15.4782 16.1214 16.1214 16.4826 16.4826 21.7713 21.7713 21.8706 21.8706 k = 0.3840 0.4448-0.0000 ( 873 PWs) bands (ev): 8.0288 8.0288 9.9039 9.9039 9.9760 9.9760 10.8401 10.8401 12.6537 12.6537 12.6878 12.6878 13.3649 13.3649 14.4150 14.4150 14.7931 14.7931 15.5075 15.5075 16.1724 16.1724 16.4172 16.4172 21.6932 21.6932 21.8933 21.8933 k = 0.3883 0.4498-0.0000 ( 873 PWs) bands (ev): 8.2512 8.2512 10.1158 10.1158 10.1941 10.1941 10.7720 10.7720 12.5861 12.5861 12.6202 12.6202 13.3102 13.3102 14.4366 14.4366 14.8678 14.8678 15.5801 15.5801 16.2312 16.2312 16.3556 16.3556 21.6179 21.6179 21.9222 21.9222 k = 0.3927 0.4549-0.0000 ( 873 PWs) bands (ev): 8.4742 8.4742 10.3272 10.3272 10.4127 10.4127 10.7067 10.7067 12.5211 12.5211 12.5552 12.5552 13.2594 13.2594 14.4492 14.4492 14.9035 14.9035 15.6946 15.6946 16.2737 16.2737 16.3204 16.3204 21.5455 21.5455 21.9576 21.9576 k = 0.3971 0.4599-0.0000 ( 869 PWs) bands (ev): 8.6976 8.6976 10.5371 10.5371 10.6308 10.6308 10.6451 10.6451 12.4588 12.4588 12.4928 12.4928 13.2132 13.2132 14.4545 14.4545 14.9120 14.9120 15.8385 15.8385 16.2285 16.2285 16.3810 16.3810 21.4759 21.4759 21.9999 21.9999 k = 0.4014 0.4650-0.0000 ( 869 PWs) bands (ev): 8.9209 8.9209 10.5829 10.5829 10.7466 10.7466 10.8505 10.8505 12.3990 12.3990 12.4330 12.4330 13.1720 13.1720 14.4543 14.4543 14.9056 14.9056 15.9983 15.9983 16.1751 16.1751 16.4570 16.4570 21.4092 21.4092 22.0493 22.0493 k = 0.4058 0.4700-0.0000 ( 869 PWs) bands (ev): 9.1437 9.1437 10.5255 10.5255 10.9523 10.9523 11.0688 11.0688 12.3418 12.3418 12.3758 12.3758 13.1365 13.1365 14.4504 14.4504 14.8925 14.8925 16.1113 16.1113 16.1784 16.1784 16.5362 16.5362 21.3455 21.3455 22.1057 22.1057 k = 0.4101 0.4751-0.0000 ( 869 PWs) bands (ev): 9.3654 9.3654 10.4706 10.4706 11.1547 11.1547 11.2862 11.2862 12.2872 12.2872 12.3212 12.3212 13.1077 13.1077 14.4441 14.4441 14.8775 14.8775 16.0662 16.0662 16.3449 16.3449 16.6164 16.6164 21.2845 21.2845 22.0858 22.0858 k = 0.4145 0.4801-0.0000 ( 873 PWs) bands (ev): 9.5854 9.5854 10.4182 10.4182 11.3522 11.3522 11.5019 11.5019 12.2352 12.2352 12.2693 12.2693 13.0867 13.0867 14.4369 14.4369 14.8636 14.8636 16.0180 16.0180 16.5159 16.5159 16.6964 16.6964 21.2265 21.2265 22.0133 22.0133 k = 0.4189 0.4852-0.0000 ( 873 PWs) bands (ev): 9.8028 9.8028 10.3685 10.3685 11.5433 11.5433 11.7152 11.7152 12.1858 12.1858 12.2200 12.2200 13.0747 13.0747 14.4300 14.4300 14.8530 14.8530 15.9718 15.9718 16.6829 16.6829 16.7765 16.7765 21.1713 21.1713 21.9340 21.9340 k = 0.4232 0.4902-0.0000 ( 871 PWs) bands (ev): 10.0164 10.0164 10.3214 10.3214 11.7260 11.7260 11.9248 11.9248 12.1391 12.1391 12.1736 12.1736 13.0738 13.0738 14.4248 14.4248 14.8473 14.8473 15.9278 15.9278 16.8296 16.8296 16.8691 16.8691 21.1191 21.1191 21.8415 21.8415 k = 0.4276 0.4953-0.0000 ( 871 PWs) bands (ev): 10.2235 10.2235 10.2786 10.2786 11.8979 11.8979 12.0929 12.0929 12.1166 12.1166 12.1456 12.1456 13.0857 13.0857 14.4227 14.4227 14.8479 14.8479 15.8862 15.8862 16.9168 16.9168 17.0105 17.0105 21.0697 21.0697 21.7230 21.7230 k = 0.4320 0.5004-0.0000 ( 875 PWs) bands (ev): 10.2339 10.2339 10.4282 10.4282 12.0470 12.0470 12.0603 12.0603 12.0890 12.0890 12.3327 12.3327 13.1129 13.1129 14.4250 14.4250 14.8562 14.8562 15.8470 15.8470 16.9890 16.9890 17.1531 17.1531 21.0232 21.0232 21.5652 21.5652 k = 0.4363 0.5054-0.0000 ( 879 PWs) bands (ev): 10.1948 10.1948 10.6211 10.6211 12.0133 12.0133 12.0464 12.0464 12.2039 12.2039 12.5243 12.5243 13.1567 13.1567 14.4334 14.4334 14.8737 14.8737 15.8103 15.8103 17.0568 17.0568 17.2831 17.2831 20.9795 20.9795 21.3735 21.3735 k = 0.4363 0.5054-0.0000 ( 879 PWs) bands (ev): 10.1948 10.1948 10.6211 10.6211 12.0133 12.0133 12.0464 12.0464 12.2039 12.2039 12.5243 12.5243 13.1567 13.1567 14.4334 14.4334 14.8737 14.8737 15.8103 15.8103 17.0568 17.0568 17.2831 17.2831 20.9795 20.9795 21.3735 21.3735 k = 0.4296 0.5054-0.0000 ( 873 PWs) bands (ev): 10.1844 10.1844 10.5204 10.5204 11.9810 11.9810 12.0432 12.0432 12.1618 12.1618 12.4167 12.4167 13.1359 13.1359 14.4388 14.4388 14.8712 14.8712 15.8282 15.8282 17.0088 17.0088 17.2008 17.2008 21.0059 21.0059 21.5050 21.5050 k = 0.4229 0.5054-0.0000 ( 871 PWs) bands (ev): 10.1005 10.1005 10.4666 10.4666 11.8732 11.8732 11.9797 11.9797 12.1761 12.1761 12.3437 12.3437 13.1444 13.1444 14.4714 14.4714 14.8944 14.8944 15.8353 15.8353 16.9527 16.9527 17.1151 17.1151 21.0251 21.0251 21.6335 21.6335 k = 0.4162 0.5054-0.0000 ( 869 PWs) bands (ev): 9.9726 9.9726 10.4305 10.4305 11.7496 11.7496 11.8708 11.8708 12.1855 12.1855 12.2908 12.2908 13.1837 13.1837 14.5303 14.5303 14.9435 14.9435 15.8316 15.8316 16.8904 16.8904 17.0273 17.0273 21.0307 21.0307 21.7585 21.7585 k = 0.4095 0.5054-0.0000 ( 869 PWs) bands (ev): 9.8282 9.8282 10.3866 10.3866 11.6223 11.6223 11.7402 11.7402 12.1769 12.1769 12.2371 12.2371 13.2542 13.2542 14.6122 14.6122 15.0172 15.0172 15.8174 15.8174 16.8242 16.8242 16.9385 16.9385 21.0181 21.0181 21.8822 21.8822 k = 0.4028 0.5054-0.0000 ( 867 PWs) bands (ev): 9.6782 9.6782 10.3273 10.3273 11.4933 11.4933 11.6007 11.6007 12.1488 12.1488 12.1732 12.1732 13.3540 13.3540 14.7122 14.7122 15.1127 15.1127 15.7933 15.7933 16.7565 16.7565 16.8503 16.8503 20.9851 20.9851 22.0074 22.0074 k = 0.3960 0.5054-0.0000 ( 868 PWs) bands (ev): 9.5269 9.5269 10.2530 10.2530 11.3635 11.3635 11.4580 11.4580 12.0974 12.0974 12.1027 12.1027 13.4800 13.4800 14.8245 14.8245 15.2259 15.2259 15.7598 15.7598 16.6903 16.6903 16.7643 16.7643 20.9329 20.9329 22.1369 22.1369 k = 0.3893 0.5054-0.0000 ( 870 PWs) bands (ev): 9.3759 9.3759 10.1658 10.1658 11.2330 11.2330 11.3144 11.3144 12.0118 12.0118 12.0405 12.0405 13.6283 13.6283 14.9427 14.9427 15.3517 15.3517 15.7179 15.7179 16.6291 16.6291 16.6832 16.6832 20.8645 20.8645 22.2725 22.2725 k = 0.3826 0.5054-0.0000 ( 866 PWs) bands (ev): 9.2261 9.2261 10.0688 10.0688 11.1023 11.1023 11.1712 11.1712 11.9177 11.9177 11.9658 11.9658 13.7949 13.7949 15.0590 15.0590 15.4823 15.4823 15.6701 15.6701 16.5769 16.5769 16.6118 16.6118 20.7836 20.7836 22.4151 22.4151 k = 0.3759 0.5054-0.0000 ( 862 PWs) bands (ev): 9.0778 9.0778 9.9643 9.9643 10.9717 10.9717 11.0290 11.0290 11.8172 11.8172 11.8812 11.8812 13.9765 13.9765 15.1650 15.1650 15.5767 15.5767 15.6492 15.6492 16.5351 16.5351 16.5621 16.5621 20.6936 20.6936 22.5650 22.5650 k = 0.3692 0.5054-0.0000 ( 866 PWs) bands (ev): 8.9315 8.9315 9.8544 9.8544 10.8415 10.8415 10.8883 10.8883 11.7119 11.7119 11.7889 11.7889 14.1702 14.1702 15.2507 15.2507 15.5335 15.5335 15.7437 15.7437 16.5092 16.5092 16.5489 16.5489 20.5975 20.5975 22.7222 22.7222 k = 0.3625 0.5054-0.0000 ( 868 PWs) bands (ev): 8.7872 8.7872 9.7408 9.7408 10.7120 10.7120 10.7492 10.7492 11.6033 11.6033 11.6910 11.6910 14.3736 14.3736 15.3067 15.3067 15.4660 15.4660 15.8209 15.8209 16.5248 16.5248 16.5735 16.5735 20.4978 20.4978 22.8864 22.8864 k = 0.3558 0.5054-0.0000 ( 868 PWs) bands (ev): 8.6450 8.6450 9.6247 9.6247 10.5835 10.5835 10.6120 10.6120 11.4924 11.4924 11.5889 11.5889 14.5846 14.5846 15.3257 15.3257 15.3951 15.3951 15.8476 15.8476 16.5997 16.5997 16.6364 16.6364 20.3964 20.3964 23.0572 23.0572 k = 0.3491 0.5054-0.0000 ( 867 PWs) bands (ev): 8.5051 8.5051 9.5071 9.5071 10.4560 10.4560 10.4768 10.4768 11.3801 11.3801 11.4838 11.4838 14.8006 14.8006 15.2942 15.2942 15.3385 15.3385 15.8290 15.8290 16.7275 16.7275 16.7346 16.7346 20.2951 20.2951 23.2338 23.2338 k = 0.3423 0.5054-0.0000 ( 867 PWs) bands (ev): 8.3675 8.3675 9.3889 9.3889 10.3299 10.3299 10.3436 10.3436 11.2670 11.2670 11.3767 11.3767 15.0143 15.0143 15.2258 15.2258 15.2947 15.2947 15.7836 15.7836 16.8597 16.8597 16.8909 16.8909 20.1951 20.1951 23.4156 23.4156 k = 0.3356 0.5054-0.0000 ( 867 PWs) bands (ev): 8.2322 8.2322 9.2706 9.2706 10.2052 10.2052 10.2127 10.2127 11.1537 11.1537 11.2684 11.2684 15.1087 15.1087 15.2323 15.2323 15.2706 15.2706 15.7301 15.7301 17.0047 17.0047 17.0742 17.0742 20.0982 20.0982 23.6016 23.6016 k = 0.3289 0.5054-0.0000 ( 865 PWs) bands (ev): 8.0994 8.0994 9.1526 9.1526 10.0815 10.0815 10.0845 10.0845 11.0406 11.0406 11.1595 11.1595 15.0324 15.0324 15.1669 15.1669 15.4423 15.4423 15.7042 15.7042 17.1615 17.1615 17.2698 17.2698 20.0058 20.0058 23.7902 23.7902 k = 0.3222 0.5054-0.0000 ( 863 PWs) bands (ev): 7.9690 7.9690 9.0354 9.0354 9.9565 9.9565 9.9617 9.9617 10.9281 10.9281 11.0505 11.0505 14.9439 14.9439 15.0893 15.0893 15.4870 15.4870 15.8189 15.8189 17.3240 17.3240 17.4733 17.4733 19.9197 19.9197 23.9797 23.9797 k = 0.3155 0.5054-0.0000 ( 863 PWs) bands (ev): 7.8410 7.8410 8.9193 8.9193 9.8323 9.8323 9.8421 9.8421 10.8165 10.8165 10.9418 10.9418 14.8527 14.8527 15.0058 15.0058 15.4321 15.4321 16.0359 16.0359 17.4869 17.4869 17.6818 17.6818 19.8423 19.8423 24.1671 24.1671 k = 0.3088 0.5054-0.0000 ( 863 PWs) bands (ev): 7.7155 7.7155 8.8044 8.8044 9.7103 9.7103 9.7247 9.7247 10.7060 10.7060 10.8338 10.8338 14.7604 14.7604 14.9186 14.9186 15.3572 15.3572 16.2756 16.2756 17.6449 17.6449 17.8936 17.8936 19.7767 19.7767 24.3479 24.3479 k = 0.3021 0.5054-0.0000 ( 867 PWs) bands (ev): 7.5925 7.5925 8.6910 8.6910 9.5907 9.5907 9.6092 9.6092 10.5968 10.5968 10.7266 10.7266 14.6676 14.6676 14.8291 14.8291 15.2769 15.2769 16.5235 16.5235 17.7925 17.7925 18.1074 18.1074 19.7266 19.7266 24.5151 24.5151 k = 0.2954 0.5054-0.0000 ( 867 PWs) bands (ev): 7.4720 7.4720 8.5792 8.5792 9.4734 9.4734 9.4959 9.4959 10.4891 10.4891 10.6206 10.6206 14.5748 14.5748 14.7383 14.7383 15.1944 15.1944 16.7763 16.7763 17.9237 17.9237 18.3222 18.3222 19.6970 19.6970 24.6603 24.6603 k = 0.2886 0.5054-0.0000 ( 867 PWs) bands (ev): 7.3540 7.3540 8.4693 8.4693 9.3584 9.3584 9.3846 9.3846 10.3831 10.3831 10.5160 10.5160 14.4823 14.4823 14.6470 14.6470 15.1112 15.1112 17.0328 17.0328 18.0320 18.0320 18.5371 18.5371 19.6933 19.6933 24.7769 24.7769 k = 0.2819 0.5054-0.0000 ( 865 PWs) bands (ev): 7.2386 7.2386 8.3612 8.3612 9.2459 9.2459 9.2756 9.2756 10.2788 10.2788 10.4128 10.4128 14.3905 14.3905 14.5558 14.5558 15.0279 15.0279 17.2924 17.2924 18.1120 18.1120 18.7511 18.7511 19.7200 19.7200 24.8646 24.8646 k = 0.2752 0.5054-0.0000 ( 867 PWs) bands (ev): 7.1258 7.1258 8.2552 8.2552 9.1359 9.1359 9.1688 9.1688 10.1763 10.1763 10.3113 10.3113 14.2996 14.2996 14.4650 14.4650 14.9449 14.9449 17.5544 17.5544 18.1607 18.1607 18.9636 18.9636 19.7790 19.7790 24.9290 24.9290 k = 0.2685 0.5054-0.0000 ( 863 PWs) bands (ev): 7.0155 7.0155 8.1512 8.1512 9.0283 9.0283 9.0643 9.0643 10.0757 10.0757 10.2115 10.2115 14.2097 14.2097 14.3751 14.3751 14.8625 14.8625 17.8187 17.8187 18.1793 18.1793 19.1737 19.1737 19.8686 19.8686 24.9777 24.9777 k = 0.2618 0.5054-0.0000 ( 863 PWs) bands (ev): 6.9078 6.9078 8.0493 8.0493 8.9232 8.9232 8.9622 8.9622 9.9772 9.9772 10.1136 10.1136 14.1211 14.1211 14.2862 14.2862 14.7810 14.7810 18.0848 18.0848 18.1722 18.1722 19.3807 19.3807 19.9834 19.9834 25.0174 25.0174 k = 0.2551 0.5054-0.0000 ( 861 PWs) bands (ev): 6.8028 6.8028 7.9497 7.9497 8.8205 8.8205 8.8623 8.8623 9.8808 9.8808 10.0176 10.0176 14.0339 14.0339 14.1986 14.1986 14.7004 14.7004 18.1449 18.1449 18.3526 18.3526 19.5837 19.5837 20.1171 20.1171 25.0533 25.0533 k = 0.2484 0.5054-0.0000 ( 861 PWs) bands (ev): 6.7003 6.7003 7.8523 7.8523 8.7204 8.7204 8.7648 8.7648 9.7864 9.7864 9.9237 9.9237 13.9483 13.9483 14.1124 14.1124 14.6209 14.6209 18.1029 18.1029 18.6214 18.6214 19.7820 19.7820 20.2631 20.2631 25.0892 25.0892 k = 0.2417 0.5054-0.0000 ( 853 PWs) bands (ev): 6.6005 6.6005 7.7572 7.7572 8.6228 8.6228 8.6698 8.6698 9.6943 9.6943 9.8319 9.8319 13.8642 13.8642 14.0278 14.0278 14.5426 14.5426 18.0508 18.0508 18.8908 18.8908 19.9749 19.9749 20.4162 20.4162 25.1281 25.1281 k = 0.2349 0.5054-0.0000 ( 852 PWs) bands (ev): 6.5032 6.5032 7.6645 7.6645 8.5278 8.5278 8.5771 8.5771 9.6044 9.6044 9.7422 9.7422 13.7819 13.7819 13.9450 13.9450 14.4658 14.4658 17.9917 17.9917 19.1602 19.1602 20.1620 20.1620 20.5720 20.5720 25.1724 25.1724 k = 0.2282 0.5054-0.0000 ( 854 PWs) bands (ev): 6.4087 6.4087 7.5741 7.5741 8.4353 8.4353 8.4869 8.4869 9.5168 9.5168 9.6547 9.6547 13.7014 13.7014 13.8639 13.8639 14.3903 14.3903 17.9281 17.9281 19.4284 19.4284 20.3431 20.3431 20.7271 20.7271 25.2235 25.2235 k = 0.2215 0.5054-0.0000 ( 851 PWs) bands (ev): 6.3167 6.3167 7.4862 7.4862 8.3454 8.3454 8.3992 8.3992 9.4315 9.4315 9.5694 9.5694 13.6228 13.6228 13.7847 13.7847 14.3164 14.3164 17.8617 17.8617 19.6941 19.6941 20.5186 20.5186 20.8789 20.8789 25.2827 25.2827 k = 0.2148 0.5054-0.0000 ( 852 PWs) bands (ev): 6.2275 6.2275 7.4007 7.4007 8.2580 8.2580 8.3139 8.3139 9.3485 9.3485 9.4864 9.4864 13.5461 13.5461 13.7075 13.7075 14.2441 14.2441 17.7938 17.7938 19.9548 19.9548 20.6900 20.6900 21.0251 21.0251 25.3501 25.3501 k = 0.2081 0.5054-0.0000 ( 852 PWs) bands (ev): 6.1409 6.1409 7.3177 7.3177 8.1732 8.1732 8.2311 8.2311 9.2679 9.2679 9.4058 9.4058 13.4714 13.4714 13.6322 13.6322 14.1735 14.1735 17.7253 17.7253 20.2062 20.2062 20.8604 20.8604 21.1640 21.1640 25.4247 25.4247 k = 0.2014 0.5054-0.0000 ( 852 PWs) bands (ev): 6.0570 6.0570 7.2371 7.2371 8.0910 8.0910 8.1509 8.1509 9.1897 9.1897 9.3275 9.3275 13.3988 13.3988 13.5591 13.5591 14.1047 14.1047 17.6569 17.6569 20.4418 20.4418 21.0359 21.0359 21.2942 21.2942 25.4961 25.4961 k = 0.1947 0.5054-0.0000 ( 852 PWs) bands (ev): 5.9757 5.9757 7.1591 7.1591 8.0115 8.0115 8.0732 8.0732 9.1139 9.1139 9.2516 9.2516 13.3283 13.3283 13.4881 13.4881 14.0376 14.0376 17.5890 17.5890 20.6526 20.6526 21.2249 21.2249 21.4147 21.4147 25.4720 25.4720 k = 0.1880 0.5054-0.0000 ( 852 PWs) bands (ev): 5.8972 5.8972 7.0835 7.0835 7.9345 7.9345 7.9980 7.9980 9.0406 9.0406 9.1781 9.1781 13.2599 13.2599 13.4193 13.4193 13.9725 13.9725 17.5221 17.5221 20.8309 20.8309 21.4348 21.4348 21.5249 21.5249 25.4346 25.4346 k = 0.1812 0.5054-0.0000 ( 852 PWs) bands (ev): 5.8213 5.8213 7.0105 7.0105 7.8602 7.8602 7.9254 7.9254 8.9697 8.9697 9.1070 9.1070 13.1937 13.1937 13.3526 13.3526 13.9092 13.9092 17.4565 17.4565 20.9754 20.9754 21.6239 21.6239 21.6672 21.6672 25.3898 25.3898 k = 0.1745 0.5054-0.0000 ( 852 PWs) bands (ev): 5.7482 5.7482 6.9401 6.9401 7.7885 7.7885 7.8553 7.8553 8.9012 8.9012 9.0384 9.0384 13.1298 13.1298 13.2882 13.2882 13.8479 13.8479 17.3923 17.3923 21.0910 21.0910 21.7128 21.7128 21.9163 21.9163 25.3411 25.3411 k = 0.1678 0.5054-0.0000 ( 854 PWs) bands (ev): 5.6777 5.6777 6.8723 6.8723 7.7194 7.7194 7.7878 7.7878 8.8353 8.8353 8.9722 8.9722 13.0680 13.0680 13.2261 13.2261 13.7886 13.7886 17.3299 17.3299 21.1840 21.1840 21.7910 21.7910 22.1767 22.1767 25.2905 25.2905 k = 0.1611 0.5054-0.0000 ( 856 PWs) bands (ev): 5.6100 5.6100 6.8070 6.8070 7.6530 7.6530 7.7229 7.7229 8.7719 8.7719 8.9086 8.9086 13.0085 13.0085 13.1662 13.1662 13.7314 13.7314 17.2693 17.2693 21.2595 21.2595 21.8591 21.8591 22.4434 22.4434 25.2395 25.2395 k = 0.1544 0.5054-0.0000 ( 856 PWs) bands (ev): 5.5450 5.5450 6.7443 6.7443 7.5893 7.5893 7.6606 7.6606 8.7109 8.7109 8.8474 8.8474 12.9514 12.9514 13.1087 13.1087 13.6762 13.6762 17.2107 17.2107 21.3209 21.3209 21.9178 21.9178 22.7128 22.7128 25.1887 25.1887 k = 0.1477 0.5054-0.0000 ( 856 PWs) bands (ev): 5.4827 5.4827 6.6842 6.6842 7.5282 7.5282 7.6009 7.6009 8.6526 8.6526 8.7888 8.7888 12.8965 12.8965 13.0535 13.0535 13.6232 13.6232 17.1542 17.1542 21.3709 21.3709 21.9678 21.9678 22.9821 22.9821 25.1389 25.1389 k = 0.1410 0.5054-0.0000 ( 860 PWs) bands (ev): 5.4232 5.4232 6.6268 6.6268 7.4698 7.4698 7.5438 7.5438 8.5967 8.5967 8.7327 8.7327 12.8440 12.8440 13.0007 13.0007 13.5723 13.5723 17.0998 17.0998 21.4115 21.4115 22.0099 22.0099 23.2488 23.2488 25.0904 25.0904 k = 0.1343 0.5054-0.0000 ( 861 PWs) bands (ev): 5.3663 5.3663 6.5719 6.5719 7.4141 7.4141 7.4894 7.4894 8.5434 8.5434 8.6792 8.6792 12.7938 12.7938 12.9502 12.9502 13.5237 13.5237 17.0477 17.0477 21.4441 21.4441 22.0451 22.0451 23.5097 23.5097 25.0435 25.0435 k = 0.1275 0.5054-0.0000 ( 863 PWs) bands (ev): 5.3123 5.3123 6.5197 6.5197 7.3610 7.3610 7.4375 7.4375 8.4926 8.4926 8.6282 8.6282 12.7460 12.7460 12.9021 12.9021 13.4772 13.4772 16.9979 16.9979 21.4700 21.4700 22.0740 22.0740 23.7612 23.7612 24.9983 24.9983 k = 0.1208 0.5054-0.0000 ( 867 PWs) bands (ev): 5.2609 5.2609 6.4701 6.4701 7.3106 7.3106 7.3883 7.3883 8.4444 8.4444 8.5797 8.5797 12.7005 12.7005 12.8564 12.8564 13.4330 13.4330 16.9504 16.9504 21.4902 21.4902 22.0975 22.0975 23.9981 23.9981 24.9551 24.9551 k = 0.1141 0.5054-0.0000 ( 867 PWs) bands (ev): 5.2124 5.2124 6.4232 6.4232 7.2630 7.2630 7.3417 7.3417 8.3988 8.3988 8.5339 8.5339 12.6575 12.6575 12.8131 12.8131 13.3910 13.3910 16.9053 16.9053 21.5059 21.5059 22.1164 22.1164 24.2138 24.2138 24.9138 24.9138 k = 0.1074 0.5054-0.0000 ( 867 PWs) bands (ev): 5.1666 5.1666 6.3789 6.3789 7.2180 7.2180 7.2977 7.2977 8.3558 8.3558 8.4906 8.4906 12.6169 12.6169 12.7723 12.7723 13.3513 13.3513 16.8626 16.8626 21.5176 21.5176 22.1313 22.1313 24.4006 24.4006 24.8747 24.8747 k = 0.1007 0.5054-0.0000 ( 865 PWs) bands (ev): 5.1235 5.1235 6.3373 6.3373 7.1757 7.1757 7.2564 7.2564 8.3153 8.3153 8.4499 8.4499 12.5786 12.5786 12.7339 12.7339 13.3140 13.3140 16.8224 16.8224 21.5260 21.5260 22.1428 22.1428 24.5519 24.5519 24.8377 24.8377 k = 0.0940 0.5054-0.0000 ( 869 PWs) bands (ev): 5.0832 5.0832 6.2984 6.2984 7.1362 7.1362 7.2177 7.2177 8.2774 8.2774 8.4118 8.4118 12.5428 12.5428 12.6979 12.6979 13.2789 13.2789 16.7846 16.7846 21.5319 21.5319 22.1514 22.1514 24.6655 24.6655 24.8031 24.8031 k = 0.0873 0.5054-0.0000 ( 869 PWs) bands (ev): 5.0457 5.0457 6.2621 6.2621 7.0993 7.0993 7.1817 7.1817 8.2421 8.2421 8.3763 8.3763 12.5095 12.5095 12.6643 12.6643 13.2462 13.2462 16.7494 16.7494 21.5356 21.5356 22.1577 22.1577 24.7443 24.7443 24.7714 24.7714 k = 0.0806 0.5054-0.0000 ( 870 PWs) bands (ev): 5.0109 5.0109 6.2285 6.2285 7.0652 7.0652 7.1483 7.1483 8.2095 8.2095 8.3435 8.3435 12.4786 12.4786 12.6333 12.6333 13.2159 13.2159 16.7168 16.7168 21.5377 21.5377 22.1621 22.1621 24.7398 24.7398 24.7983 24.7983 k = 0.0738 0.5054-0.0000 ( 872 PWs) bands (ev): 4.9789 4.9789 6.1975 6.1975 7.0338 7.0338 7.1176 7.1176 8.1794 8.1794 8.3132 8.3132 12.4501 12.4501 12.6047 12.6047 13.1880 13.1880 16.6867 16.6867 21.5384 21.5384 22.1650 22.1650 24.7121 24.7121 24.8314 24.8314 k = 0.0671 0.5054-0.0000 ( 872 PWs) bands (ev): 4.9497 4.9497 6.1693 6.1693 7.0051 7.0051 7.0896 7.0896 8.1519 8.1519 8.2856 8.2856 12.4241 12.4241 12.5785 12.5785 13.1624 13.1624 16.6591 16.6591 21.5382 21.5382 22.1666 22.1666 24.6867 24.6867 24.8514 24.8514 k = 0.0604 0.5054-0.0000 ( 870 PWs) bands (ev): 4.9232 4.9232 6.1437 6.1437 6.9791 6.9791 7.0642 7.0642 8.1270 8.1270 8.2605 8.2605 12.4005 12.4005 12.5549 12.5549 13.1392 13.1392 16.6341 16.6341 21.5372 21.5372 22.1674 22.1674 24.6635 24.6635 24.8627 24.8627 k = 0.0537 0.5054-0.0000 ( 870 PWs) bands (ev): 4.8996 4.8996 6.1208 6.1208 6.9559 6.9559 7.0415 7.0415 8.1048 8.1048 8.2381 8.2381 12.3794 12.3794 12.5337 12.5337 13.1185 13.1185 16.6118 16.6118 21.5358 21.5358 22.1674 22.1674 24.6428 24.6428 24.8684 24.8684 k = 0.0470 0.5054-0.0000 ( 870 PWs) bands (ev): 4.8787 4.8787 6.1006 6.1006 6.9354 6.9354 7.0214 7.0214 8.0851 8.0851 8.2184 8.2184 12.3608 12.3608 12.5150 12.5150 13.1001 13.1001 16.5920 16.5920 21.5341 21.5341 22.1670 22.1670 24.6245 24.6245 24.8705 24.8705 k = 0.0403 0.5054-0.0000 ( 872 PWs) bands (ev): 4.8606 4.8606 6.0831 6.0831 6.9176 6.9176 7.0041 7.0041 8.0681 8.0681 8.2012 8.2012 12.3447 12.3447 12.4987 12.4987 13.0842 13.0842 16.5749 16.5749 21.5323 21.5323 22.1663 22.1663 24.6086 24.6086 24.8705 24.8705 k = 0.0336 0.5054-0.0000 ( 868 PWs) bands (ev): 4.8453 4.8453 6.0682 6.0682 6.9025 6.9025 6.9893 6.9893 8.0537 8.0537 8.1867 8.1867 12.3310 12.3310 12.4850 12.4850 13.0708 13.0708 16.5604 16.5604 21.5306 21.5306 22.1655 22.1655 24.5951 24.5951 24.8692 24.8692 k = 0.0269 0.5054-0.0000 ( 864 PWs) bands (ev): 4.8327 4.8327 6.0561 6.0561 6.8902 6.8902 6.9773 6.9773 8.0419 8.0419 8.1748 8.1748 12.3198 12.3198 12.4738 12.4738 13.0597 13.0597 16.5485 16.5485 21.5291 21.5291 22.1647 22.1647 24.5841 24.5841 24.8675 24.8675 k = 0.0201 0.5054-0.0000 ( 864 PWs) bands (ev): 4.8230 4.8230 6.0467 6.0467 6.8806 6.8806 6.9680 6.9680 8.0327 8.0327 8.1656 8.1656 12.3111 12.3111 12.4651 12.4651 13.0511 13.0511 16.5393 16.5393 21.5277 21.5277 22.1640 22.1640 24.5755 24.5755 24.8658 24.8658 k = 0.0134 0.5054-0.0000 ( 866 PWs) bands (ev): 4.8160 4.8160 6.0399 6.0399 6.8738 6.8738 6.9613 6.9613 8.0261 8.0261 8.1590 8.1590 12.3049 12.3049 12.4588 12.4588 13.0450 13.0450 16.5326 16.5326 21.5268 21.5268 22.1634 22.1634 24.5694 24.5694 24.8643 24.8643 k = 0.0067 0.5054-0.0000 ( 868 PWs) bands (ev): 4.8118 4.8118 6.0359 6.0359 6.8697 6.8697 6.9573 6.9573 8.0222 8.0222 8.1550 8.1550 12.3012 12.3012 12.4551 12.4551 13.0413 13.0413 16.5287 16.5287 21.5262 21.5262 22.1630 22.1630 24.5657 24.5657 24.8634 24.8634 k = 0.0000 0.5054-0.0000 ( 868 PWs) bands (ev): 4.8104 4.8104 6.0345 6.0345 6.8683 6.8683 6.9559 6.9559 8.0209 8.0209 8.1537 8.1537 12.2999 12.2999 12.4538 12.4538 13.0401 13.0401 16.5274 16.5274 21.5260 21.5260 22.1629 22.1629 24.5644 24.5644 24.8630 24.8630 k = 0.0000 0.5054-0.0000 ( 868 PWs) bands (ev): 4.8104 4.8104 6.0345 6.0345 6.8683 6.8683 6.9559 6.9559 8.0209 8.0209 8.1537 8.1537 12.2999 12.2999 12.4538 12.4538 13.0401 13.0401 16.5274 16.5274 21.5260 21.5260 22.1629 22.1629 24.5644 24.5644 24.8630 24.8630 k = 0.0000 0.5054 0.0064 ( 868 PWs) bands (ev): 4.8117 4.8117 6.0339 6.0339 6.8133 6.8133 7.0151 7.0151 7.9742 7.9742 8.2024 8.2024 12.2910 12.2910 12.4017 12.4017 13.0952 13.0952 16.5370 16.5370 21.4447 21.4447 22.2453 22.2453 24.3972 24.3972 25.0322 25.0322 k = 0.0000 0.5054 0.0128 ( 864 PWs) bands (ev): 4.8154 4.8154 6.0320 6.0320 6.7341 6.7341 7.1069 7.1069 7.8943 7.8943 8.2883 8.2883 12.2534 12.2534 12.2924 12.2924 13.2250 13.2250 16.5656 16.5656 21.2668 21.2668 22.4269 22.4269 24.1378 24.1378 25.2973 25.2973 k = 0.0000 0.5054 0.0192 ( 862 PWs) bands (ev): 4.8216 4.8216 6.0280 6.0280 6.6575 6.6575 7.2052 7.2052 7.8104 7.8104 8.3820 8.3820 12.1197 12.1197 12.2360 12.2360 13.3870 13.3870 16.6124 16.6124 21.0566 21.0566 22.6432 22.6432 23.8693 23.8693 25.5753 25.5753 k = 0.0000 0.5054 0.0256 ( 860 PWs) bands (ev): 4.8302 4.8302 6.0210 6.0210 6.5871 6.5871 7.3074 7.3074 7.7268 7.7268 8.4793 8.4793 11.9593 11.9593 12.1820 12.1820 13.5637 13.5637 16.6762 16.6762 20.8359 20.8359 22.8729 22.8729 23.6000 23.6000 25.8576 25.8576 k = 0.0000 0.5054 0.0320 ( 864 PWs) bands (ev): 4.8413 4.8413 6.0094 6.0094 6.5252 6.5252 7.4128 7.4128 7.6446 7.6446 8.5790 8.5790 11.7941 11.7941 12.1165 12.1165 13.7483 13.7483 16.7552 16.7552 20.6120 20.6120 23.1087 23.1087 23.3319 23.3319 26.1419 26.1419 k = 0.0000 0.5054 0.0385 ( 864 PWs) bands (ev): 4.8549 4.8549 5.9914 5.9914 6.4738 6.4738 7.5211 7.5211 7.5642 7.5642 8.6805 8.6805 11.6280 11.6280 12.0400 12.0400 13.9379 13.9379 16.8475 16.8475 20.3885 20.3885 23.0658 23.0658 23.3478 23.3478 26.4269 26.4269 k = 0.0000 0.5054 0.0449 ( 866 PWs) bands (ev): 4.8710 4.8710 5.9654 5.9654 6.4347 6.4347 7.4859 7.4859 7.6321 7.6321 8.7834 8.7834 11.4626 11.4626 11.9539 11.9539 14.1313 14.1313 16.9508 16.9508 20.1676 20.1676 22.8020 22.8020 23.5886 23.5886 26.7113 26.7113 k = 0.0000 0.5054 0.0513 ( 868 PWs) bands (ev): 4.8895 4.8895 5.9307 5.9307 6.4087 6.4087 7.4096 7.4096 7.7457 7.7457 8.8873 8.8873 11.2989 11.2989 11.8596 11.8596 14.3276 14.3276 17.0622 17.0622 19.9515 19.9515 22.5409 22.5409 23.8302 23.8302 26.9929 26.9929 k = 0.0000 0.5054 0.0577 ( 868 PWs) bands (ev): 4.9104 4.9104 5.8879 5.8879 6.3954 6.3954 7.3356 7.3356 7.8617 7.8617 8.9918 8.9918 11.1378 11.1378 11.7584 11.7584 14.5262 14.5262 17.1783 17.1783 19.7427 19.7427 22.2827 22.2827 24.0721 24.0721 27.2678 27.2678 k = 0.0000 0.5054 0.0641 ( 866 PWs) bands (ev): 4.9338 4.9338 5.8389 5.8389 6.3929 6.3929 7.2638 7.2638 7.9801 7.9801 9.0963 9.0963 10.9802 10.9802 11.6515 11.6515 14.7269 14.7269 17.2947 17.2947 19.5449 19.5449 22.0276 22.0276 24.3137 24.3137 27.5264 27.5264 k = 0.0000 0.5054 0.0705 ( 866 PWs) bands (ev): 4.9596 4.9596 5.7856 5.7856 6.3993 6.3993 7.1943 7.1943 8.1006 8.1006 9.1995 9.1995 10.8273 10.8273 11.5401 11.5401 14.9293 14.9293 17.4047 17.4047 19.3638 19.3638 21.7758 21.7758 24.5546 24.5546 27.7434 27.7434 k = 0.0000 0.5054 0.0769 ( 866 PWs) bands (ev): 4.9879 4.9879 5.7297 5.7297 6.4129 6.4129 7.1271 7.1271 8.2232 8.2232 9.2999 9.2999 10.6807 10.6807 11.4252 11.4252 15.1332 15.1332 17.4985 17.4985 19.2083 19.2083 21.5275 21.5275 24.7945 24.7945 27.8613 27.8613 k = 0.0000 0.5054 0.0833 ( 868 PWs) bands (ev): 5.0185 5.0185 5.6728 5.6728 6.4323 6.4323 7.0623 7.0623 8.3478 8.3478 9.3943 9.3943 10.5437 10.5437 11.3077 11.3077 15.3384 15.3384 17.5623 17.5623 19.0919 19.0919 21.2830 21.2830 25.0330 25.0330 27.8423 27.8423 k = 0.0000 0.5054 0.0897 ( 868 PWs) bands (ev): 5.0515 5.0515 5.6157 5.6157 6.4566 6.4566 6.9999 6.9999 8.4741 8.4741 9.4770 9.4770 10.4217 10.4217 11.1886 11.1886 15.5444 15.5444 17.5796 17.5796 19.0301 19.0301 21.0426 21.0426 25.2696 25.2696 27.7354 27.7354 k = 0.0000 0.5054 0.0961 ( 868 PWs) bands (ev): 5.0868 5.0868 5.5592 5.5592 6.4850 6.4850 6.9399 6.9399 8.6019 8.6019 9.5378 9.5378 10.3253 10.3253 11.0685 11.0685 15.7511 15.7511 17.5396 17.5396 19.0334 19.0334 20.8068 20.8068 25.5040 25.5040 27.5872 27.5872 k = 0.0000 0.5054 0.1025 ( 868 PWs) bands (ev): 5.1245 5.1245 5.5037 5.5037 6.5172 6.5172 6.8824 6.8824 8.7308 8.7308 9.5607 9.5607 10.2702 10.2702 10.9485 10.9485 15.9579 15.9579 17.4450 17.4450 19.0986 19.0986 20.5760 20.5760 25.7358 25.7358 27.4172 27.4172 k = 0.0000 0.5054 0.1089 ( 870 PWs) bands (ev): 5.1645 5.1645 5.4496 5.4496 6.5528 6.5528 6.8273 6.8273 8.8605 8.8605 9.5332 9.5332 10.2686 10.2686 10.8293 10.8293 16.1642 16.1642 17.3087 17.3087 19.2123 19.2123 20.3509 20.3509 25.9644 25.9644 27.2330 27.2330 k = 0.0000 0.5054 0.1154 ( 872 PWs) bands (ev): 5.2068 5.2068 5.3971 5.3971 6.5915 6.5915 6.7748 6.7748 8.9900 8.9900 9.4607 9.4607 10.3155 10.3155 10.7121 10.7121 16.3694 16.3694 17.1447 17.1447 19.3604 19.3604 20.1324 20.1324 26.1893 26.1893 27.0384 27.0384 k = 0.0000 0.5054 0.1218 ( 872 PWs) bands (ev): 5.2512 5.2512 5.3465 5.3465 6.6332 6.6332 6.7249 6.7249 9.1180 9.1180 9.3593 9.3593 10.3942 10.3942 10.5986 10.5986 16.5723 16.5723 16.9633 16.9633 19.5321 19.5321 19.9217 19.9217 26.4099 26.4099 26.8354 26.8354 k = 0.0000 0.5054 0.1282 ( 872 PWs) bands (ev): 5.2978 5.2978 5.2978 5.2978 6.6777 6.6777 6.6777 6.6777 9.2425 9.2425 9.2425 9.2425 10.4912 10.4912 10.4912 10.4912 16.7711 16.7711 16.7711 16.7711 19.7207 19.7207 19.7207 19.7207 26.6256 26.6256 26.6256 26.6256 k = 0.0000 0.5054 0.1282 ( 872 PWs) bands (ev): 5.2978 5.2978 5.2978 5.2978 6.6777 6.6777 6.6777 6.6777 9.2425 9.2425 9.2425 9.2425 10.4912 10.4912 10.4912 10.4912 16.7711 16.7711 16.7711 16.7711 19.7207 19.7207 19.7207 19.7207 26.6256 26.6256 26.6256 26.6256 k = 0.0067 0.5054 0.1282 ( 870 PWs) bands (ev): 5.2992 5.2992 5.2992 5.2992 6.6790 6.6790 6.6790 6.6790 9.2437 9.2437 9.2440 9.2440 10.4923 10.4923 10.4927 10.4927 16.7719 16.7719 16.7723 16.7723 19.7218 19.7218 19.7220 19.7220 26.6185 26.6185 26.6188 26.6188 k = 0.0134 0.5054 0.1282 ( 870 PWs) bands (ev): 5.3033 5.3033 5.3034 5.3034 6.6829 6.6829 6.6830 6.6830 9.2475 9.2475 9.2480 9.2480 10.4959 10.4959 10.4968 10.4968 16.7749 16.7749 16.7756 16.7756 19.7254 19.7254 19.7257 19.7257 26.5973 26.5973 26.5979 26.5979 k = 0.0201 0.5054 0.1282 ( 870 PWs) bands (ev): 5.3102 5.3102 5.3104 5.3104 6.6895 6.6895 6.6897 6.6897 9.2539 9.2539 9.2548 9.2548 10.5022 10.5022 10.5035 10.5035 16.7799 16.7799 16.7809 16.7809 19.7315 19.7315 19.7319 19.7319 26.5618 26.5618 26.5627 26.5627 k = 0.0269 0.5054 0.1282 ( 870 PWs) bands (ev): 5.3199 5.3199 5.3202 5.3202 6.6988 6.6988 6.6990 6.6990 9.2630 9.2630 9.2641 9.2641 10.5110 10.5110 10.5128 10.5128 16.7870 16.7870 16.7883 16.7883 19.7400 19.7400 19.7406 19.7406 26.5118 26.5118 26.5130 26.5130 k = 0.0336 0.5054 0.1282 ( 872 PWs) bands (ev): 5.3323 5.3323 5.3327 5.3327 6.7107 6.7107 6.7109 6.7109 9.2747 9.2747 9.2760 9.2760 10.5225 10.5225 10.5247 10.5247 16.7961 16.7961 16.7978 16.7978 19.7509 19.7509 19.7517 19.7517 26.4467 26.4467 26.4482 26.4482 k = 0.0403 0.5054 0.1282 ( 872 PWs) bands (ev): 5.3476 5.3476 5.3480 5.3480 6.7252 6.7252 6.7255 6.7255 9.2890 9.2890 9.2906 9.2906 10.5365 10.5365 10.5392 10.5392 16.8073 16.8073 16.8093 16.8093 19.7643 19.7643 19.7652 19.7652 26.3663 26.3663 26.3680 26.3680 k = 0.0470 0.5054 0.1282 ( 872 PWs) bands (ev): 5.3656 5.3656 5.3660 5.3660 6.7424 6.7424 6.7428 6.7428 9.3059 9.3059 9.3078 9.3078 10.5531 10.5531 10.5563 10.5563 16.8205 16.8205 16.8229 16.8229 19.7801 19.7801 19.7812 19.7812 26.2702 26.2702 26.2720 26.2720 k = 0.0537 0.5054 0.1282 ( 870 PWs) bands (ev): 5.3863 5.3863 5.3869 5.3869 6.7623 6.7623 6.7627 6.7627 9.3254 9.3254 9.3276 9.3276 10.5723 10.5723 10.5760 10.5760 16.8358 16.8358 16.8385 16.8385 19.7983 19.7983 19.7995 19.7995 26.1581 26.1581 26.1600 26.1600 k = 0.0604 0.5054 0.1282 ( 866 PWs) bands (ev): 5.4099 5.4099 5.4105 5.4105 6.7848 6.7848 6.7852 6.7852 9.3476 9.3476 9.3501 9.3501 10.5941 10.5941 10.5982 10.5982 16.8530 16.8530 16.8560 16.8560 19.8188 19.8188 19.8202 19.8202 26.0301 26.0301 26.0321 26.0321 k = 0.0671 0.5054 0.1282 ( 866 PWs) bands (ev): 5.4362 5.4362 5.4368 5.4368 6.8099 6.8099 6.8104 6.8104 9.3724 9.3724 9.3751 9.3751 10.6185 10.6185 10.6230 10.6230 16.8722 16.8722 16.8755 16.8755 19.8417 19.8417 19.8432 19.8432 25.8865 25.8865 25.8885 25.8885 k = 0.0738 0.5054 0.1282 ( 860 PWs) bands (ev): 5.4652 5.4652 5.4660 5.4660 6.8377 6.8377 6.8382 6.8382 9.3998 9.3998 9.4028 9.4028 10.6454 10.6454 10.6504 10.6504 16.8933 16.8933 16.8970 16.8970 19.8669 19.8669 19.8686 19.8686 25.7278 25.7278 25.7297 25.7297 k = 0.0806 0.5054 0.1282 ( 862 PWs) bands (ev): 5.4971 5.4971 5.4979 5.4979 6.8681 6.8681 6.8687 6.8687 9.4298 9.4298 9.4331 9.4331 10.6749 10.6749 10.6804 10.6804 16.9163 16.9163 16.9204 16.9204 19.8944 19.8944 19.8962 19.8962 25.5547 25.5547 25.5566 25.5566 k = 0.0873 0.5054 0.1282 ( 864 PWs) bands (ev): 5.5317 5.5317 5.5325 5.5325 6.9011 6.9011 6.9018 6.9018 9.4624 9.4624 9.4660 9.4660 10.7069 10.7069 10.7129 10.7129 16.9412 16.9412 16.9456 16.9456 19.9241 19.9241 19.9261 19.9261 25.3683 25.3683 25.3700 25.3700 k = 0.0940 0.5054 0.1282 ( 866 PWs) bands (ev): 5.5690 5.5690 5.5699 5.5699 6.9367 6.9367 6.9375 6.9375 9.4976 9.4976 9.5014 9.5014 10.7416 10.7416 10.7480 10.7480 16.9680 16.9680 16.9727 16.9727 19.9560 19.9560 19.9581 19.9581 25.1697 25.1697 25.1713 25.1713 k = 0.1007 0.5054 0.1282 ( 864 PWs) bands (ev): 5.6091 5.6091 5.6101 5.6101 6.9750 6.9750 6.9758 6.9758 9.5354 9.5354 9.5395 9.5395 10.7787 10.7787 10.7856 10.7856 16.9965 16.9965 17.0016 17.0016 19.9900 19.9900 19.9922 19.9922 24.9601 24.9601 24.9616 24.9616 k = 0.1074 0.5054 0.1282 ( 864 PWs) bands (ev): 5.6519 5.6519 5.6530 5.6530 7.0159 7.0159 7.0167 7.0167 9.5758 9.5758 9.5802 9.5802 10.8184 10.8184 10.8257 10.8257 17.0267 17.0267 17.0322 17.0322 20.0260 20.0260 20.0283 20.0283 24.7409 24.7409 24.7422 24.7422 k = 0.1141 0.5054 0.1282 ( 862 PWs) bands (ev): 5.6975 5.6975 5.6986 5.6986 7.0594 7.0594 7.0603 7.0603 9.6187 9.6187 9.6235 9.6235 10.8606 10.8606 10.8684 10.8684 17.0587 17.0587 17.0645 17.0645 20.0638 20.0638 20.0663 20.0663 24.5134 24.5134 24.5145 24.5145 k = 0.1208 0.5054 0.1282 ( 862 PWs) bands (ev): 5.7458 5.7458 5.7470 5.7470 7.1055 7.1055 7.1065 7.1065 9.6643 9.6643 9.6693 9.6693 10.9054 10.9054 10.9137 10.9137 17.0922 17.0922 17.0984 17.0984 20.1035 20.1035 20.1061 20.1061 24.2787 24.2787 24.2797 24.2797 k = 0.1275 0.5054 0.1282 ( 866 PWs) bands (ev): 5.7969 5.7969 5.7981 5.7981 7.1542 7.1542 7.1552 7.1552 9.7124 9.7124 9.7177 9.7177 10.9527 10.9527 10.9614 10.9614 17.1273 17.1273 17.1338 17.1338 20.1447 20.1447 20.1474 20.1474 24.0383 24.0383 24.0391 24.0391 k = 0.1343 0.5054 0.1282 ( 864 PWs) bands (ev): 5.8507 5.8507 5.8520 5.8520 7.2055 7.2055 7.2066 7.2066 9.7631 9.7631 9.7687 9.7687 11.0024 11.0024 11.0116 11.0116 17.1638 17.1638 17.1707 17.1707 20.1873 20.1873 20.1901 20.1901 23.7932 23.7932 23.7938 23.7938 k = 0.1410 0.5054 0.1282 ( 864 PWs) bands (ev): 5.9072 5.9072 5.9086 5.9086 7.2594 7.2594 7.2605 7.2605 9.8164 9.8164 9.8222 9.8222 11.0547 11.0547 11.0644 11.0644 17.2017 17.2017 17.2089 17.2089 20.2309 20.2309 20.2337 20.2337 23.5446 23.5446 23.5450 23.5450 k = 0.1477 0.5054 0.1282 ( 866 PWs) bands (ev): 5.9665 5.9665 5.9679 5.9679 7.3158 7.3158 7.3170 7.3170 9.8722 9.8722 9.8783 9.8783 11.1094 11.1094 11.1196 11.1196 17.2408 17.2408 17.2484 17.2484 20.2750 20.2750 20.2779 20.2779 23.2939 23.2939 23.2940 23.2940 k = 0.1544 0.5054 0.1282 ( 864 PWs) bands (ev): 6.0285 6.0285 6.0300 6.0300 7.3748 7.3748 7.3761 7.3761 9.9305 9.9305 9.9369 9.9369 11.1666 11.1666 11.1772 11.1772 17.2811 17.2811 17.2891 17.2891 20.3191 20.3191 20.3220 20.3220 23.0422 23.0422 23.0423 23.0423 k = 0.1611 0.5054 0.1282 ( 864 PWs) bands (ev): 6.0931 6.0931 6.0947 6.0947 7.4364 7.4364 7.4377 7.4377 9.9914 9.9914 9.9981 9.9981 11.2262 11.2262 11.2373 11.2373 17.3223 17.3223 17.3307 17.3307 20.3621 20.3621 20.3650 20.3650 22.7910 22.7910 22.7914 22.7914 k = 0.1678 0.5054 0.1282 ( 864 PWs) bands (ev): 6.1605 6.1605 6.1622 6.1622 7.5005 7.5005 7.5018 7.5018 10.0548 10.0548 10.0618 10.0618 11.2883 11.2883 11.2999 11.2999 17.3644 17.3644 17.3732 17.3732 20.4027 20.4027 20.4055 20.4055 22.5425 22.5425 22.5432 22.5432 k = 0.1745 0.5054 0.1282 ( 864 PWs) bands (ev): 6.2306 6.2306 6.2323 6.2323 7.5671 7.5671 7.5685 7.5685 10.1208 10.1208 10.1280 10.1280 11.3528 11.3528 11.3648 11.3648 17.4072 17.4072 17.4163 17.4163 20.4384 20.4384 20.4410 20.4410 22.2996 22.2996 22.3007 22.3007 k = 0.1812 0.5054 0.1282 ( 864 PWs) bands (ev): 6.3034 6.3034 6.3052 6.3052 7.6362 7.6362 7.6377 7.6377 10.1892 10.1892 10.1967 10.1967 11.4196 11.4196 11.4322 11.4322 17.4504 17.4504 17.4599 17.4599 20.4653 20.4653 20.4676 20.4676 22.0664 22.0664 22.0682 22.0682 k = 0.1880 0.5054 0.1282 ( 864 PWs) bands (ev): 6.3789 6.3789 6.3807 6.3807 7.7079 7.7079 7.7094 7.7094 10.2601 10.2601 10.2679 10.2679 11.4889 11.4889 11.5019 11.5019 17.4938 17.4938 17.5038 17.5038 20.4772 20.4772 20.4789 20.4789 21.8499 21.8499 21.8525 21.8525 k = 0.1947 0.5054 0.1282 ( 866 PWs) bands (ev): 6.4570 6.4570 6.4589 6.4589 7.7820 7.7820 7.7836 7.7836 10.3335 10.3335 10.3416 10.3416 11.5604 11.5604 11.5739 11.5739 17.5372 17.5372 17.5475 17.5475 20.4637 20.4637 20.4646 20.4646 21.6606 21.6606 21.6642 21.6642 k = 0.2014 0.5054 0.1282 ( 870 PWs) bands (ev): 6.5379 6.5379 6.5398 6.5398 7.8586 7.8586 7.8602 7.8602 10.4094 10.4094 10.4177 10.4177 11.6343 11.6343 11.6483 11.6483 17.5802 17.5802 17.5909 17.5909 20.4111 20.4111 20.4111 20.4111 21.5126 21.5126 21.5174 21.5174 k = 0.2081 0.5054 0.1282 ( 866 PWs) bands (ev): 6.6213 6.6213 6.6234 6.6234 7.9376 7.9376 7.9393 7.9393 10.4877 10.4877 10.4964 10.4964 11.7104 11.7104 11.7249 11.7249 17.6223 17.6223 17.6334 17.6334 20.3076 20.3076 20.3085 20.3085 21.4172 21.4172 21.4231 21.4231 k = 0.2148 0.5054 0.1282 ( 862 PWs) bands (ev): 6.7075 6.7075 6.7096 6.7096 8.0190 8.0190 8.0208 8.0208 10.5685 10.5685 10.5774 10.5774 11.7888 11.7888 11.8038 11.8038 17.6632 17.6632 17.6747 17.6747 20.1550 20.1550 20.1565 20.1565 21.3741 21.3741 21.3809 21.3809 k = 0.2215 0.5054 0.1282 ( 862 PWs) bands (ev): 6.7963 6.7963 6.7985 6.7985 8.1028 8.1028 8.1047 8.1047 10.6517 10.6517 10.6609 10.6609 11.8694 11.8694 11.8849 11.8849 17.7020 17.7020 17.7140 17.7140 19.9653 19.9653 19.9670 19.9670 21.3719 21.3719 21.3791 21.3791 k = 0.2282 0.5054 0.1282 ( 862 PWs) bands (ev): 6.8878 6.8878 6.8900 6.8900 8.1890 8.1890 8.1909 8.1909 10.7372 10.7372 10.7467 10.7467 11.9521 11.9521 11.9682 11.9682 17.7382 17.7382 17.7505 17.7505 19.7521 19.7521 19.7538 19.7538 21.3973 21.3973 21.4048 21.4048 k = 0.2349 0.5054 0.1282 ( 860 PWs) bands (ev): 6.9818 6.9818 6.9842 6.9842 8.2775 8.2775 8.2795 8.2795 10.8252 10.8252 10.8350 10.8350 12.0370 12.0370 12.0535 12.0535 17.7703 17.7703 17.7831 17.7831 19.5259 19.5259 19.5276 19.5276 21.4404 21.4404 21.4482 21.4482 k = 0.2417 0.5054 0.1282 ( 860 PWs) bands (ev): 7.0785 7.0785 7.0810 7.0810 8.3682 8.3682 8.3703 8.3703 10.9155 10.9155 10.9256 10.9256 12.1239 12.1239 12.1410 12.1410 17.7969 17.7969 17.8100 17.8100 19.2941 19.2941 19.2958 19.2958 21.4953 21.4953 21.5032 21.5032 k = 0.2484 0.5054 0.1282 ( 860 PWs) bands (ev): 7.1779 7.1779 7.1803 7.1803 8.4612 8.4612 8.4634 8.4634 11.0082 11.0082 11.0185 11.0185 12.2127 12.2127 12.2304 12.2304 17.8151 17.8151 17.8285 17.8285 19.0626 19.0626 19.0642 19.0642 21.5580 21.5580 21.5661 21.5661 k = 0.2551 0.5054 0.1282 ( 864 PWs) bands (ev): 7.2798 7.2798 7.2823 7.2823 8.5564 8.5564 8.5587 8.5587 11.1031 11.1031 11.1138 11.1138 12.3036 12.3036 12.3218 12.3218 17.8203 17.8203 17.8338 17.8338 18.8377 18.8377 18.8396 18.8396 21.6263 21.6263 21.6346 21.6346 k = 0.2618 0.5054 0.1282 ( 864 PWs) bands (ev): 7.3843 7.3843 7.3869 7.3869 8.6538 8.6538 8.6561 8.6561 11.2004 11.2004 11.2113 11.2113 12.3962 12.3962 12.4150 12.4150 17.8040 17.8040 17.8172 17.8172 18.6289 18.6289 18.6314 18.6314 21.6984 21.6984 21.7070 21.7070 k = 0.2685 0.5054 0.1282 ( 864 PWs) bands (ev): 7.4914 7.4914 7.4941 7.4941 8.7532 8.7532 8.7556 8.7556 11.2999 11.2999 11.3111 11.3111 12.4906 12.4906 12.5100 12.5100 17.7517 17.7517 17.7637 17.7637 18.4509 18.4509 18.4550 18.4550 21.7733 21.7733 21.7821 21.7821 k = 0.2752 0.5054 0.1282 ( 864 PWs) bands (ev): 7.6010 7.6010 7.6038 7.6038 8.8546 8.8546 8.8570 8.8570 11.4016 11.4016 11.4131 11.4131 12.5867 12.5867 12.6066 12.6066 17.6469 17.6469 17.6567 17.6567 18.3203 18.3203 18.3269 18.3269 21.8498 21.8498 21.8588 21.8588 k = 0.2819 0.5054 0.1282 ( 864 PWs) bands (ev): 7.7133 7.7133 7.7161 7.7161 8.9579 8.9579 8.9604 8.9604 11.5054 11.5054 11.5173 11.5173 12.6843 12.6843 12.7048 12.7048 17.4877 17.4877 17.4952 17.4952 18.2387 18.2387 18.2479 18.2479 21.9270 21.9270 21.9363 21.9363 k = 0.2886 0.5054 0.1282 ( 864 PWs) bands (ev): 7.8280 7.8280 7.8310 7.8310 9.0630 9.0630 9.0656 9.0656 11.6115 11.6115 11.6236 11.6236 12.7833 12.7833 12.8044 12.8044 17.2906 17.2906 17.2965 17.2965 18.1894 18.1894 18.2005 18.2005 22.0038 22.0038 22.0135 22.0135 k = 0.2954 0.5054 0.1282 ( 868 PWs) bands (ev): 7.9453 7.9453 7.9483 7.9483 9.1698 9.1698 9.1726 9.1726 11.7196 11.7196 11.7320 11.7320 12.8835 12.8835 12.9052 12.9052 17.0730 17.0730 17.0778 17.0778 18.1544 18.1544 18.1668 18.1668 22.0789 22.0789 22.0889 22.0889 k = 0.3021 0.5054 0.1282 ( 868 PWs) bands (ev): 8.0651 8.0651 8.0682 8.0682 9.2782 9.2782 9.2810 9.2810 11.8297 11.8297 11.8424 11.8424 12.9847 12.9847 13.0070 13.0070 16.8453 16.8453 16.8496 16.8496 18.1230 18.1230 18.1362 18.1362 22.1504 22.1504 22.1608 22.1608 k = 0.3088 0.5054 0.1282 ( 868 PWs) bands (ev): 8.1874 8.1874 8.1906 8.1906 9.3880 9.3880 9.3909 9.3909 11.9418 11.9418 11.9548 11.9548 13.0867 13.0867 13.1097 13.1097 16.6132 16.6132 16.6171 16.6171 18.0893 18.0893 18.1031 18.1031 22.2154 22.2154 22.2261 22.2261 k = 0.3155 0.5054 0.1282 ( 870 PWs) bands (ev): 8.3122 8.3122 8.3154 8.3154 9.4990 9.4990 9.5020 9.5020 12.0557 12.0557 12.0691 12.0691 13.1893 13.1893 13.2130 13.2130 16.3797 16.3797 16.3834 16.3834 18.0500 18.0500 18.0642 18.0642 22.2698 22.2698 22.2806 22.2806 k = 0.3222 0.5054 0.1282 ( 870 PWs) bands (ev): 8.4394 8.4394 8.4427 8.4427 9.6109 9.6109 9.6141 9.6141 12.1715 12.1715 12.1852 12.1852 13.2921 13.2921 13.3165 13.3165 16.1468 16.1468 16.1503 16.1503 18.0034 18.0034 18.0178 18.0178 22.3077 22.3077 22.3182 22.3182 k = 0.3289 0.5054 0.1282 ( 868 PWs) bands (ev): 8.5690 8.5690 8.5725 8.5725 9.7236 9.7236 9.7269 9.7269 12.2890 12.2890 12.3029 12.3029 13.3947 13.3947 13.4198 13.4198 15.9157 15.9157 15.9193 15.9193 17.9486 17.9486 17.9632 17.9632 22.3241 22.3241 22.3337 22.3337 k = 0.3356 0.5054 0.1282 ( 858 PWs) bands (ev): 8.7011 8.7011 8.7046 8.7046 9.8366 9.8366 9.8400 9.8400 12.4080 12.4080 12.4223 12.4223 13.4966 13.4966 13.5224 13.5224 15.6877 15.6877 15.6913 15.6913 17.8853 17.8853 17.9000 17.9000 22.3193 22.3193 22.3274 22.3274 k = 0.3423 0.5054 0.1282 ( 860 PWs) bands (ev): 8.8355 8.8355 8.8391 8.8391 9.9496 9.9496 9.9532 9.9532 12.5284 12.5284 12.5430 12.5430 13.5971 13.5971 13.6237 13.6237 15.4637 15.4637 15.4674 15.4674 17.8139 17.8139 17.8285 17.8285 22.2997 22.2997 22.3062 22.3062 k = 0.3491 0.5054 0.1282 ( 862 PWs) bands (ev): 8.9722 8.9722 8.9760 8.9760 10.0620 10.0620 10.0657 10.0657 12.6499 12.6499 12.6648 12.6648 13.6955 13.6955 13.7229 13.7229 15.2449 15.2449 15.2488 15.2488 17.7350 17.7350 17.7495 17.7495 22.2725 22.2725 22.2776 22.2776 k = 0.3558 0.5054 0.1282 ( 864 PWs) bands (ev): 9.1113 9.1113 9.1151 9.1151 10.1732 10.1732 10.1770 10.1770 12.7723 12.7723 12.7875 12.7875 13.7907 13.7907 13.8188 13.8188 15.0329 15.0329 15.0370 15.0370 17.6498 17.6498 17.6642 17.6642 22.2424 22.2424 22.2464 22.2464 k = 0.3625 0.5054 0.1282 ( 862 PWs) bands (ev): 9.2525 9.2525 9.2564 9.2564 10.2823 10.2823 10.2863 10.2863 12.8950 12.8950 12.9105 12.9105 13.8807 13.8807 13.9097 13.9097 14.8297 14.8297 14.8341 14.8341 17.5599 17.5599 17.5741 17.5741 22.2106 22.2106 22.2137 22.2137 k = 0.3692 0.5054 0.1282 ( 864 PWs) bands (ev): 9.3959 9.3959 9.3999 9.3999 10.3884 10.3884 10.3926 10.3926 13.0173 13.0173 13.0330 13.0330 13.9626 13.9626 13.9921 13.9921 14.6395 14.6395 14.6441 14.6441 17.4671 17.4671 17.4810 17.4810 22.1761 22.1761 22.1785 22.1785 k = 0.3759 0.5054 0.1282 ( 864 PWs) bands (ev): 9.5413 9.5413 9.5455 9.5455 10.4901 10.4901 10.4945 10.4945 13.1379 13.1379 13.1537 13.1537 14.0290 14.0290 14.0579 14.0579 14.4717 14.4717 14.4756 14.4756 17.3736 17.3736 17.3871 17.3871 22.1365 22.1365 22.1384 22.1384 k = 0.3826 0.5054 0.1282 ( 862 PWs) bands (ev): 9.6886 9.6886 9.6929 9.6929 10.5859 10.5859 10.5905 10.5905 13.2543 13.2543 13.2698 13.2698 14.0580 14.0580 14.0805 14.0805 14.3531 14.3531 14.3554 14.3554 17.2819 17.2819 17.2949 17.2949 22.0889 22.0889 22.0903 22.0903 k = 0.3893 0.5054 0.1282 ( 862 PWs) bands (ev): 9.8375 9.8375 9.8419 9.8419 10.6737 10.6737 10.6786 10.6786 13.3607 13.3607 13.3753 13.3753 14.0164 14.0164 14.0244 14.0244 14.3163 14.3163 14.3318 14.3318 17.1948 17.1948 17.2072 17.2072 22.0302 22.0302 22.0313 22.0313 k = 0.3960 0.5054 0.1282 ( 862 PWs) bands (ev): 9.9876 9.9876 9.9922 9.9922 10.7513 10.7513 10.7564 10.7564 13.4438 13.4438 13.4557 13.4557 13.9437 13.9437 13.9459 13.9459 14.3379 14.3379 14.3605 14.3605 17.1153 17.1153 17.1267 17.1267 21.9584 21.9584 21.9592 21.9592 k = 0.4028 0.5054 0.1282 ( 864 PWs) bands (ev): 10.1381 10.1381 10.1428 10.1428 10.8161 10.8161 10.8214 10.8214 13.4782 13.4782 13.4852 13.4852 13.9103 13.9103 13.9205 13.9205 14.3708 14.3708 14.3958 14.3958 17.0464 17.0464 17.0567 17.0567 21.8726 21.8726 21.8733 21.8733 k = 0.4095 0.5054 0.1282 ( 866 PWs) bands (ev): 10.2874 10.2874 10.2922 10.2922 10.8662 10.8662 10.8717 10.8717 13.4552 13.4552 13.4583 13.4583 13.9468 13.9468 13.9623 13.9623 14.3994 14.3994 14.4248 14.4248 16.9910 16.9910 16.9999 16.9999 21.7737 21.7737 21.7741 21.7741 k = 0.4162 0.5054 0.1282 ( 866 PWs) bands (ev): 10.4316 10.4316 10.4365 10.4365 10.9018 10.9018 10.9073 10.9073 13.4084 13.4084 13.4100 13.4100 14.0223 14.0223 14.0395 14.0395 14.4218 14.4218 14.4459 14.4459 16.9518 16.9518 16.9589 16.9589 21.6633 21.6633 21.6637 21.6637 k = 0.4229 0.5054 0.1282 ( 870 PWs) bands (ev): 10.5604 10.5604 10.5649 10.5649 10.9305 10.9305 10.9355 10.9355 13.3685 13.3685 13.3694 13.3694 14.1009 14.1009 14.1160 14.1160 14.4462 14.4462 14.4659 14.4659 16.9304 16.9304 16.9353 16.9353 21.5442 21.5442 21.5444 21.5444 k = 0.4296 0.5054 0.1282 ( 870 PWs) bands (ev): 10.6468 10.6468 10.6495 10.6495 10.9788 10.9788 10.9818 10.9818 13.3488 13.3488 13.3493 13.3493 14.1527 14.1527 14.1608 14.1608 14.4916 14.4916 14.5022 14.5022 16.9274 16.9274 16.9299 16.9299 21.4191 21.4191 21.4192 21.4192 k = 0.4363 0.5054 0.1282 ( 870 PWs) bands (ev): 10.6593 10.6593 10.6593 10.6593 11.0773 11.0773 11.0773 11.0773 13.3538 13.3538 13.3538 13.3538 14.1563 14.1563 14.1563 14.1563 14.5717 14.5717 14.5717 14.5717 16.9423 16.9423 16.9423 16.9423 21.2906 21.2906 21.2906 21.2906 k = 0.4363 0.5054 0.1282 ( 870 PWs) bands (ev): 10.6593 10.6593 10.6593 10.6593 11.0773 11.0773 11.0773 11.0773 13.3538 13.3538 13.3538 13.3538 14.1563 14.1563 14.1563 14.1563 14.5717 14.5717 14.5717 14.5717 16.9423 16.9423 16.9423 16.9423 21.2906 21.2906 21.2906 21.2906 k = 0.4320 0.5004 0.1282 ( 870 PWs) bands (ev): 10.6982 10.6982 10.6982 10.6982 10.8876 10.8876 10.8876 10.8876 13.3321 13.3321 13.3321 13.3321 14.1940 14.1940 14.1940 14.1940 14.4301 14.4301 14.4301 14.4301 16.9112 16.9112 16.9112 16.9112 21.4820 21.4820 21.4820 21.4820 k = 0.4276 0.4953 0.1282 ( 866 PWs) bands (ev): 10.6848 10.6848 10.6848 10.6848 10.7439 10.7439 10.7439 10.7439 13.3170 13.3170 13.3170 13.3170 14.2295 14.2295 14.2295 14.2295 14.2879 14.2879 14.2879 14.2879 16.8852 16.8852 16.8852 16.8852 21.6563 21.6563 21.6563 21.6563 k = 0.4232 0.4902 0.1282 ( 868 PWs) bands (ev): 10.4813 10.4813 10.4813 10.4813 10.7861 10.7861 10.7861 10.7861 13.3035 13.3035 13.3035 13.3035 14.1300 14.1300 14.1300 14.1300 14.2823 14.2823 14.2823 14.2823 16.8641 16.8641 16.8641 16.8641 21.8036 21.8036 21.8036 21.8036 k = 0.4189 0.4852 0.1282 ( 864 PWs) bands (ev): 10.2705 10.2705 10.2705 10.2705 10.8330 10.8330 10.8330 10.8330 13.2846 13.2846 13.2846 13.2846 13.9890 13.9890 13.9890 13.9890 14.3269 14.3269 14.3269 14.3269 16.8473 16.8473 16.8473 16.8473 21.9141 21.9141 21.9141 21.9141 k = 0.4145 0.4801 0.1282 ( 860 PWs) bands (ev): 10.0556 10.0556 10.0556 10.0556 10.8826 10.8826 10.8826 10.8826 13.2489 13.2489 13.2489 13.2489 13.8647 13.8647 13.8647 13.8647 14.3751 14.3751 14.3751 14.3751 16.8344 16.8344 16.8344 16.8344 21.9818 21.9818 21.9818 21.9818 k = 0.4101 0.4751 0.1282 ( 864 PWs) bands (ev): 9.8380 9.8380 9.8380 9.8380 10.9349 10.9349 10.9349 10.9349 13.1814 13.1814 13.1814 13.1814 13.7731 13.7731 13.7731 13.7731 14.4260 14.4260 14.4260 14.4260 16.8244 16.8244 16.8244 16.8244 22.0067 22.0067 22.0067 22.0067 k = 0.4058 0.4700 0.1282 ( 860 PWs) bands (ev): 9.6184 9.6184 9.6184 9.6184 10.9898 10.9898 10.9898 10.9898 13.0731 13.0731 13.0731 13.0731 13.7236 13.7236 13.7236 13.7236 14.4795 14.4795 14.4795 14.4795 16.8168 16.8168 16.8168 16.8168 21.9942 21.9942 21.9942 21.9942 k = 0.4014 0.4650 0.1282 ( 860 PWs) bands (ev): 9.3976 9.3976 9.3976 9.3976 11.0474 11.0474 11.0474 11.0474 12.9297 12.9297 12.9297 12.9297 13.7106 13.7106 13.7106 13.7106 14.5356 14.5356 14.5356 14.5356 16.8108 16.8108 16.8108 16.8108 21.9524 21.9524 21.9524 21.9524 k = 0.3971 0.4599 0.1282 ( 860 PWs) bands (ev): 9.1762 9.1762 9.1762 9.1762 11.1075 11.1075 11.1075 11.1075 12.7634 12.7634 12.7634 12.7634 13.7225 13.7225 13.7225 13.7225 14.5942 14.5942 14.5942 14.5942 16.8057 16.8057 16.8057 16.8057 21.8895 21.8895 21.8895 21.8895 k = 0.3927 0.4549 0.1282 ( 858 PWs) bands (ev): 8.9546 8.9546 8.9546 8.9546 11.1703 11.1703 11.1703 11.1703 12.5834 12.5834 12.5834 12.5834 13.7502 13.7502 13.7502 13.7502 14.6554 14.6554 14.6554 14.6554 16.8007 16.8007 16.8007 16.8007 21.8122 21.8122 21.8122 21.8122 k = 0.3883 0.4498 0.1282 ( 860 PWs) bands (ev): 8.7332 8.7332 8.7332 8.7332 11.2357 11.2357 11.2357 11.2357 12.3953 12.3953 12.3953 12.3953 13.7884 13.7884 13.7884 13.7884 14.7192 14.7192 14.7192 14.7192 16.7953 16.7953 16.7953 16.7953 21.7258 21.7258 21.7258 21.7258 k = 0.3840 0.4448 0.1282 ( 860 PWs) bands (ev): 8.5123 8.5123 8.5123 8.5123 11.3037 11.3037 11.3037 11.3037 12.2021 12.2021 12.2021 12.2021 13.8341 13.8341 13.8341 13.8341 14.7855 14.7855 14.7855 14.7855 16.7887 16.7887 16.7887 16.7887 21.6345 21.6345 21.6345 21.6345 k = 0.3796 0.4397 0.1282 ( 860 PWs) bands (ev): 8.2922 8.2922 8.2922 8.2922 11.3742 11.3742 11.3742 11.3742 12.0059 12.0059 12.0059 12.0059 13.8857 13.8857 13.8857 13.8857 14.8543 14.8543 14.8543 14.8543 16.7804 16.7804 16.7804 16.7804 21.5414 21.5414 21.5414 21.5414 k = 0.3752 0.4347 0.1282 ( 864 PWs) bands (ev): 8.0731 8.0731 8.0731 8.0731 11.4474 11.4474 11.4474 11.4474 11.8078 11.8078 11.8078 11.8078 13.9420 13.9420 13.9420 13.9420 14.9257 14.9257 14.9257 14.9257 16.7697 16.7697 16.7697 16.7697 21.4490 21.4490 21.4490 21.4490 k = 0.3709 0.4296 0.1282 ( 868 PWs) bands (ev): 7.8551 7.8551 7.8551 7.8551 11.5226 11.5226 11.5226 11.5226 11.6091 11.6091 11.6091 11.6091 14.0022 14.0022 14.0022 14.0022 14.9996 14.9996 14.9996 14.9996 16.7559 16.7559 16.7559 16.7559 21.3592 21.3592 21.3592 21.3592 k = 0.3665 0.4245 0.1282 ( 872 PWs) bands (ev): 7.6385 7.6385 7.6385 7.6385 11.4084 11.4084 11.4084 11.4084 11.6021 11.6021 11.6021 11.6021 14.0659 14.0659 14.0659 14.0659 15.0761 15.0761 15.0761 15.0761 16.7386 16.7386 16.7386 16.7386 21.2737 21.2737 21.2737 21.2737 k = 0.3621 0.4195 0.1282 ( 868 PWs) bands (ev): 7.4234 7.4234 7.4234 7.4234 11.2089 11.2089 11.2089 11.2089 11.6829 11.6829 11.6829 11.6829 14.1326 14.1326 14.1326 14.1326 15.1551 15.1551 15.1551 15.1551 16.7173 16.7173 16.7173 16.7173 21.1939 21.1939 21.1939 21.1939 k = 0.3578 0.4144 0.1282 ( 868 PWs) bands (ev): 7.2099 7.2099 7.2099 7.2099 11.0097 11.0097 11.0097 11.0097 11.7665 11.7665 11.7665 11.7665 14.2018 14.2018 14.2018 14.2018 15.2366 15.2366 15.2366 15.2366 16.6915 16.6915 16.6915 16.6915 21.1210 21.1210 21.1210 21.1210 k = 0.3534 0.4094 0.1282 ( 868 PWs) bands (ev): 6.9980 6.9980 6.9980 6.9980 10.8110 10.8110 10.8110 10.8110 11.8527 11.8527 11.8527 11.8527 14.2734 14.2734 14.2734 14.2734 15.3207 15.3207 15.3207 15.3207 16.6610 16.6610 16.6610 16.6610 21.0558 21.0558 21.0558 21.0558 k = 0.3491 0.4043 0.1282 ( 868 PWs) bands (ev): 6.7880 6.7880 6.7880 6.7880 10.6132 10.6132 10.6132 10.6132 11.9416 11.9416 11.9416 11.9416 14.3468 14.3468 14.3468 14.3468 15.4073 15.4073 15.4073 15.4073 16.6256 16.6256 16.6256 16.6256 20.9991 20.9991 20.9991 20.9991 k = 0.3447 0.3993 0.1282 ( 860 PWs) bands (ev): 6.5798 6.5798 6.5798 6.5798 10.4165 10.4165 10.4165 10.4165 12.0330 12.0330 12.0330 12.0330 14.4217 14.4217 14.4217 14.4217 15.4964 15.4964 15.4964 15.4964 16.5852 16.5852 16.5852 16.5852 20.9516 20.9516 20.9516 20.9516 k = 0.3403 0.3942 0.1282 ( 862 PWs) bands (ev): 6.3735 6.3735 6.3735 6.3735 10.2209 10.2209 10.2209 10.2209 12.1271 12.1271 12.1271 12.1271 14.4976 14.4976 14.4976 14.4976 15.5881 15.5881 15.5881 15.5881 16.5402 16.5402 16.5402 16.5402 20.9136 20.9136 20.9136 20.9136 k = 0.3360 0.3892 0.1282 ( 862 PWs) bands (ev): 6.1692 6.1692 6.1692 6.1692 10.0268 10.0268 10.0268 10.0268 12.2238 12.2238 12.2238 12.2238 14.5739 14.5739 14.5739 14.5739 15.6822 15.6822 15.6822 15.6822 16.4910 16.4910 16.4910 16.4910 20.8855 20.8855 20.8855 20.8855 k = 0.3316 0.3841 0.1282 ( 854 PWs) bands (ev): 5.9670 5.9670 5.9670 5.9670 9.8341 9.8341 9.8341 9.8341 12.3231 12.3231 12.3231 12.3231 14.6498 14.6498 14.6498 14.6498 15.7789 15.7789 15.7789 15.7789 16.4384 16.4384 16.4384 16.4384 20.8673 20.8673 20.8673 20.8673 k = 0.3272 0.3791 0.1282 ( 854 PWs) bands (ev): 5.7669 5.7669 5.7669 5.7669 9.6430 9.6430 9.6430 9.6430 12.4249 12.4249 12.4249 12.4249 14.7244 14.7244 14.7244 14.7244 15.8780 15.8780 15.8780 15.8780 16.3835 16.3835 16.3835 16.3835 20.8590 20.8590 20.8590 20.8590 k = 0.3229 0.3740 0.1282 ( 858 PWs) bands (ev): 5.5689 5.5689 5.5689 5.5689 9.4536 9.4536 9.4536 9.4536 12.5294 12.5294 12.5294 12.5294 14.7961 14.7961 14.7961 14.7961 15.9794 15.9794 15.9794 15.9794 16.3280 16.3280 16.3280 16.3280 20.8605 20.8605 20.8605 20.8605 k = 0.3185 0.3690 0.1282 ( 854 PWs) bands (ev): 5.3731 5.3731 5.3731 5.3731 9.2659 9.2659 9.2659 9.2659 12.6365 12.6365 12.6365 12.6365 14.8630 14.8630 14.8630 14.8630 16.0828 16.0828 16.0828 16.0828 16.2746 16.2746 16.2746 16.2746 20.8714 20.8714 20.8714 20.8714 k = 0.3142 0.3639 0.1282 ( 858 PWs) bands (ev): 5.1795 5.1795 5.1795 5.1795 9.0801 9.0801 9.0801 9.0801 12.7463 12.7463 12.7463 12.7463 14.9227 14.9227 14.9227 14.9227 16.1815 16.1815 16.1815 16.1815 16.2328 16.2328 16.2328 16.2328 20.8916 20.8916 20.8916 20.8916 k = 0.3098 0.3588 0.1282 ( 858 PWs) bands (ev): 4.9882 4.9882 4.9882 4.9882 8.8961 8.8961 8.8961 8.8961 12.8586 12.8586 12.8586 12.8586 14.9715 14.9715 14.9715 14.9715 16.1774 16.1774 16.1774 16.1774 16.3048 16.3048 16.3048 16.3048 20.9206 20.9206 20.9206 20.9206 k = 0.3054 0.3538 0.1282 ( 858 PWs) bands (ev): 4.7992 4.7992 4.7992 4.7992 8.7142 8.7142 8.7142 8.7142 12.9735 12.9735 12.9735 12.9735 15.0055 15.0055 15.0055 15.0055 16.1504 16.1504 16.1504 16.1504 16.4149 16.4149 16.4149 16.4149 20.9579 20.9579 20.9579 20.9579 k = 0.3011 0.3487 0.1282 ( 862 PWs) bands (ev): 4.6125 4.6125 4.6125 4.6125 8.5342 8.5342 8.5342 8.5342 13.0910 13.0910 13.0910 13.0910 15.0205 15.0205 15.0205 15.0205 16.1394 16.1394 16.1394 16.1394 16.5288 16.5288 16.5288 16.5288 21.0032 21.0032 21.0032 21.0032 k = 0.2967 0.3437 0.1282 ( 858 PWs) bands (ev): 4.4281 4.4281 4.4281 4.4281 8.3563 8.3563 8.3563 8.3563 13.2111 13.2111 13.2111 13.2111 15.0138 15.0138 15.0138 15.0138 16.1486 16.1486 16.1486 16.1486 16.6456 16.6456 16.6456 16.6456 21.0560 21.0560 21.0560 21.0560 k = 0.2923 0.3386 0.1282 ( 860 PWs) bands (ev): 4.2461 4.2461 4.2461 4.2461 8.1805 8.1805 8.1805 8.1805 13.3339 13.3339 13.3339 13.3339 14.9849 14.9849 14.9849 14.9849 16.1792 16.1792 16.1792 16.1792 16.7650 16.7650 16.7650 16.7650 21.1158 21.1158 21.1158 21.1158 k = 0.2880 0.3336 0.1282 ( 864 PWs) bands (ev): 4.0665 4.0665 4.0665 4.0665 8.0068 8.0068 8.0068 8.0068 13.4592 13.4592 13.4592 13.4592 14.9357 14.9357 14.9357 14.9357 16.2296 16.2296 16.2296 16.2296 16.8869 16.8869 16.8869 16.8869 21.1822 21.1822 21.1822 21.1822 k = 0.2836 0.3285 0.1282 ( 868 PWs) bands (ev): 3.8893 3.8893 3.8893 3.8893 7.8353 7.8353 7.8353 7.8353 13.5871 13.5871 13.5871 13.5871 14.8696 14.8696 14.8696 14.8696 16.2969 16.2969 16.2969 16.2969 17.0114 17.0114 17.0114 17.0114 21.2548 21.2548 21.2548 21.2548 k = 0.2792 0.3235 0.1282 ( 866 PWs) bands (ev): 3.7146 3.7146 3.7146 3.7146 7.6661 7.6661 7.6661 7.6661 13.7176 13.7176 13.7176 13.7176 14.7903 14.7903 14.7903 14.7903 16.3778 16.3778 16.3778 16.3778 17.1384 17.1384 17.1384 17.1384 21.3331 21.3331 21.3331 21.3331 k = 0.2749 0.3184 0.1282 ( 864 PWs) bands (ev): 3.5423 3.5423 3.5423 3.5423 7.4991 7.4991 7.4991 7.4991 13.8507 13.8507 13.8507 13.8507 14.7009 14.7009 14.7009 14.7009 16.4694 16.4694 16.4694 16.4694 17.2680 17.2680 17.2680 17.2680 21.4168 21.4168 21.4168 21.4168 k = 0.2705 0.3134 0.1282 ( 864 PWs) bands (ev): 3.3725 3.3725 3.3725 3.3725 7.3343 7.3343 7.3343 7.3343 13.9864 13.9864 13.9864 13.9864 14.6039 14.6039 14.6039 14.6039 16.5695 16.5695 16.5695 16.5695 17.4001 17.4001 17.4001 17.4001 21.5055 21.5055 21.5055 21.5055 k = 0.2662 0.3083 0.1282 ( 864 PWs) bands (ev): 3.2051 3.2051 3.2051 3.2051 7.1718 7.1718 7.1718 7.1718 14.1247 14.1247 14.1247 14.1247 14.5015 14.5015 14.5015 14.5015 16.6764 16.6764 16.6764 16.6764 17.5347 17.5347 17.5347 17.5347 21.5989 21.5989 21.5989 21.5989 k = 0.2618 0.3032 0.1282 ( 864 PWs) bands (ev): 3.0403 3.0403 3.0403 3.0403 7.0117 7.0117 7.0117 7.0117 14.2651 14.2651 14.2651 14.2651 14.3954 14.3954 14.3954 14.3954 16.7887 16.7887 16.7887 16.7887 17.6718 17.6718 17.6718 17.6718 21.6966 21.6966 21.6966 21.6966 k = 0.2574 0.2982 0.1282 ( 860 PWs) bands (ev): 2.8780 2.8780 2.8780 2.8780 6.8539 6.8539 6.8539 6.8539 14.2842 14.2842 14.2842 14.2842 14.4102 14.4102 14.4102 14.4102 16.9056 16.9056 16.9056 16.9056 17.8114 17.8114 17.8114 17.8114 21.7982 21.7982 21.7982 21.7982 k = 0.2531 0.2931 0.1282 ( 860 PWs) bands (ev): 2.7182 2.7182 2.7182 2.7182 6.6985 6.6985 6.6985 6.6985 14.1731 14.1731 14.1731 14.1731 14.5557 14.5557 14.5557 14.5557 17.0264 17.0264 17.0264 17.0264 17.9535 17.9535 17.9535 17.9535 21.9036 21.9036 21.9036 21.9036 k = 0.2487 0.2881 0.1282 ( 860 PWs) bands (ev): 2.5609 2.5609 2.5609 2.5609 6.5455 6.5455 6.5455 6.5455 14.0601 14.0601 14.0601 14.0601 14.7043 14.7043 14.7043 14.7043 17.1506 17.1506 17.1506 17.1506 18.0981 18.0981 18.0981 18.0981 22.0122 22.0122 22.0122 22.0122 k = 0.2443 0.2830 0.1282 ( 856 PWs) bands (ev): 2.4063 2.4063 2.4063 2.4063 6.3949 6.3949 6.3949 6.3949 13.9461 13.9461 13.9461 13.9461 14.8556 14.8556 14.8556 14.8556 17.2776 17.2776 17.2776 17.2776 18.2452 18.2452 18.2452 18.2452 22.1240 22.1240 22.1240 22.1240 k = 0.2400 0.2780 0.1282 ( 860 PWs) bands (ev): 2.2541 2.2541 2.2541 2.2541 6.2468 6.2468 6.2468 6.2468 13.8317 13.8317 13.8317 13.8317 15.0094 15.0094 15.0094 15.0094 17.4072 17.4072 17.4072 17.4072 18.3948 18.3948 18.3948 18.3948 22.2384 22.2384 22.2384 22.2384 k = 0.2356 0.2729 0.1282 ( 860 PWs) bands (ev): 2.1046 2.1046 2.1046 2.1046 6.1010 6.1010 6.1010 6.1010 13.7172 13.7172 13.7172 13.7172 15.1659 15.1659 15.1659 15.1659 17.5389 17.5389 17.5389 17.5389 18.5468 18.5468 18.5468 18.5468 22.3553 22.3553 22.3553 22.3553 k = 0.2312 0.2679 0.1282 ( 860 PWs) bands (ev): 1.9577 1.9577 1.9577 1.9577 5.9578 5.9578 5.9578 5.9578 13.6030 13.6030 13.6030 13.6030 15.3249 15.3249 15.3249 15.3249 17.6727 17.6727 17.6727 17.6727 18.7014 18.7014 18.7014 18.7014 22.4742 22.4742 22.4742 22.4742 k = 0.2269 0.2628 0.1282 ( 864 PWs) bands (ev): 1.8133 1.8133 1.8133 1.8133 5.8170 5.8170 5.8170 5.8170 13.4892 13.4892 13.4892 13.4892 15.4865 15.4865 15.4865 15.4865 17.8082 17.8082 17.8082 17.8082 18.8584 18.8584 18.8584 18.8584 22.5947 22.5947 22.5947 22.5947 k = 0.2225 0.2578 0.1282 ( 868 PWs) bands (ev): 1.6716 1.6716 1.6716 1.6716 5.6787 5.6787 5.6787 5.6787 13.3761 13.3761 13.3761 13.3761 15.6507 15.6507 15.6507 15.6507 17.9452 17.9452 17.9452 17.9452 19.0178 19.0178 19.0178 19.0178 22.7165 22.7165 22.7165 22.7165 k = 0.2182 0.2527 0.1282 ( 868 PWs) bands (ev): 1.5325 1.5325 1.5325 1.5325 5.5429 5.5429 5.5429 5.5429 13.2639 13.2639 13.2639 13.2639 15.8175 15.8175 15.8175 15.8175 18.0834 18.0834 18.0834 18.0834 19.1798 19.1798 19.1798 19.1798 22.8390 22.8390 22.8390 22.8390 k = 0.2138 0.2477 0.1282 ( 868 PWs) bands (ev): 1.3960 1.3960 1.3960 1.3960 5.4097 5.4097 5.4097 5.4097 13.1528 13.1528 13.1528 13.1528 15.9868 15.9868 15.9868 15.9868 18.2227 18.2227 18.2227 18.2227 19.3441 19.3441 19.3441 19.3441 22.9617 22.9617 22.9617 22.9617 k = 0.2094 0.2426 0.1282 ( 868 PWs) bands (ev): 1.2621 1.2621 1.2621 1.2621 5.2790 5.2790 5.2790 5.2790 13.0428 13.0428 13.0428 13.0428 16.1587 16.1587 16.1587 16.1587 18.3629 18.3629 18.3629 18.3629 19.5110 19.5110 19.5110 19.5110 23.0840 23.0840 23.0840 23.0840 k = 0.2051 0.2375 0.1282 ( 870 PWs) bands (ev): 1.1309 1.1309 1.1309 1.1309 5.1508 5.1508 5.1508 5.1508 12.9342 12.9342 12.9342 12.9342 16.3331 16.3331 16.3331 16.3331 18.5036 18.5036 18.5036 18.5036 19.6802 19.6802 19.6802 19.6802 23.2051 23.2051 23.2051 23.2051 k = 0.2007 0.2325 0.1282 ( 870 PWs) bands (ev): 1.0024 1.0024 1.0024 1.0024 5.0251 5.0251 5.0251 5.0251 12.8271 12.8271 12.8271 12.8271 16.5101 16.5101 16.5101 16.5101 18.6447 18.6447 18.6447 18.6447 19.8519 19.8519 19.8519 19.8519 23.3243 23.3243 23.3243 23.3243 k = 0.1963 0.2274 0.1282 ( 866 PWs) bands (ev): 0.8765 0.8765 0.8765 0.8765 4.9021 4.9021 4.9021 4.9021 12.7214 12.7214 12.7214 12.7214 16.6897 16.6897 16.6897 16.6897 18.7858 18.7858 18.7858 18.7858 20.0260 20.0260 20.0260 20.0260 23.4406 23.4406 23.4406 23.4406 k = 0.1920 0.2224 0.1282 ( 866 PWs) bands (ev): 0.7533 0.7533 0.7533 0.7533 4.7816 4.7816 4.7816 4.7816 12.6174 12.6174 12.6174 12.6174 16.8718 16.8718 16.8718 16.8718 18.9268 18.9268 18.9268 18.9268 20.2024 20.2024 20.2024 20.2024 23.5529 23.5529 23.5529 23.5529 k = 0.1876 0.2173 0.1282 ( 862 PWs) bands (ev): 0.6327 0.6327 0.6327 0.6327 4.6637 4.6637 4.6637 4.6637 12.5151 12.5151 12.5151 12.5151 17.0564 17.0564 17.0564 17.0564 19.0672 19.0672 19.0672 19.0672 20.3813 20.3813 20.3813 20.3813 23.6601 23.6601 23.6601 23.6601 k = 0.1833 0.2123 0.1282 ( 862 PWs) bands (ev): 0.5149 0.5149 0.5149 0.5149 4.5484 4.5484 4.5484 4.5484 12.4146 12.4146 12.4146 12.4146 17.2436 17.2436 17.2436 17.2436 19.2068 19.2068 19.2068 19.2068 20.5625 20.5625 20.5625 20.5625 23.7610 23.7610 23.7610 23.7610 k = 0.1789 0.2072 0.1282 ( 862 PWs) bands (ev): 0.3997 0.3997 0.3997 0.3997 4.4358 4.4358 4.4358 4.4358 12.3159 12.3159 12.3159 12.3159 17.4332 17.4332 17.4332 17.4332 19.3453 19.3453 19.3453 19.3453 20.7461 20.7461 20.7461 20.7461 23.8546 23.8546 23.8546 23.8546 k = 0.1745 0.2022 0.1282 ( 866 PWs) bands (ev): 0.2873 0.2873 0.2873 0.2873 4.3257 4.3257 4.3257 4.3257 12.2191 12.2191 12.2191 12.2191 17.6254 17.6254 17.6254 17.6254 19.4821 19.4821 19.4821 19.4821 20.9321 20.9321 20.9321 20.9321 23.9401 23.9401 23.9401 23.9401 k = 0.1702 0.1971 0.1282 ( 870 PWs) bands (ev): 0.1775 0.1775 0.1775 0.1775 4.2182 4.2182 4.2182 4.2182 12.1243 12.1243 12.1243 12.1243 17.8201 17.8201 17.8201 17.8201 19.6169 19.6169 19.6169 19.6169 21.1203 21.1203 21.1203 21.1203 24.0171 24.0171 24.0171 24.0171 k = 0.1658 0.1921 0.1282 ( 874 PWs) bands (ev): 0.0704 0.0704 0.0704 0.0704 4.1134 4.1134 4.1134 4.1134 12.0315 12.0315 12.0315 12.0315 18.0174 18.0174 18.0174 18.0174 19.7492 19.7492 19.7492 19.7492 21.3109 21.3109 21.3109 21.3109 24.0858 24.0858 24.0858 24.0858 k = 0.1614 0.1870 0.1282 ( 874 PWs) bands (ev): -0.0339 -0.0339 -0.0339 -0.0339 4.0112 4.0112 4.0112 4.0112 11.9407 11.9407 11.9407 11.9407 18.2171 18.2171 18.2171 18.2171 19.8785 19.8785 19.8785 19.8785 21.5037 21.5037 21.5037 21.5037 24.1471 24.1471 24.1471 24.1471 k = 0.1571 0.1819 0.1282 ( 874 PWs) bands (ev): -0.1355 -0.1355 -0.1355 -0.1355 3.9117 3.9117 3.9117 3.9117 11.8520 11.8520 11.8520 11.8520 18.4192 18.4192 18.4192 18.4192 20.0044 20.0044 20.0044 20.0044 21.6988 21.6988 21.6988 21.6988 24.2022 24.2022 24.2022 24.2022 k = 0.1527 0.1769 0.1282 ( 874 PWs) bands (ev): -0.2344 -0.2344 -0.2344 -0.2344 3.8148 3.8148 3.8148 3.8148 11.7655 11.7655 11.7655 11.7655 18.6239 18.6239 18.6239 18.6239 20.1262 20.1262 20.1262 20.1262 21.8962 21.8962 21.8962 21.8962 24.2529 24.2529 24.2529 24.2529 k = 0.1483 0.1718 0.1282 ( 870 PWs) bands (ev): -0.3306 -0.3306 -0.3306 -0.3306 3.7206 3.7206 3.7206 3.7206 11.6811 11.6811 11.6811 11.6811 18.8309 18.8309 18.8309 18.8309 20.2434 20.2434 20.2434 20.2434 22.0957 22.0957 22.0957 22.0957 24.3012 24.3012 24.3012 24.3012 k = 0.1440 0.1668 0.1282 ( 870 PWs) bands (ev): -0.4240 -0.4240 -0.4240 -0.4240 3.6290 3.6290 3.6290 3.6290 11.5989 11.5989 11.5989 11.5989 19.0405 19.0405 19.0405 19.0405 20.3554 20.3554 20.3554 20.3554 22.2974 22.2974 22.2974 22.2974 24.3491 24.3491 24.3491 24.3491 k = 0.1396 0.1617 0.1282 ( 866 PWs) bands (ev): -0.5147 -0.5147 -0.5147 -0.5147 3.5401 3.5401 3.5401 3.5401 11.5189 11.5189 11.5189 11.5189 19.2524 19.2524 19.2524 19.2524 20.4617 20.4617 20.4617 20.4617 22.5012 22.5012 22.5012 22.5012 24.3985 24.3985 24.3985 24.3985 k = 0.1353 0.1567 0.1282 ( 866 PWs) bands (ev): -0.6026 -0.6026 -0.6026 -0.6026 3.4539 3.4539 3.4539 3.4539 11.4412 11.4412 11.4412 11.4412 19.4668 19.4668 19.4668 19.4668 20.5618 20.5618 20.5618 20.5618 22.7071 22.7071 22.7071 22.7071 24.4510 24.4510 24.4510 24.4510 k = 0.1309 0.1516 0.1282 ( 866 PWs) bands (ev): -0.6878 -0.6878 -0.6878 -0.6878 3.3704 3.3704 3.3704 3.3704 11.3658 11.3658 11.3658 11.3658 19.6835 19.6835 19.6835 19.6835 20.6553 20.6553 20.6553 20.6553 22.9150 22.9150 22.9150 22.9150 24.5082 24.5082 24.5082 24.5082 k = 0.1265 0.1466 0.1282 ( 866 PWs) bands (ev): -0.7703 -0.7703 -0.7703 -0.7703 3.2896 3.2896 3.2896 3.2896 11.2927 11.2927 11.2927 11.2927 19.9026 19.9026 19.9026 19.9026 20.7418 20.7418 20.7418 20.7418 23.1249 23.1249 23.1249 23.1249 24.5712 24.5712 24.5712 24.5712 k = 0.1222 0.1415 0.1282 ( 864 PWs) bands (ev): -0.8500 -0.8500 -0.8500 -0.8500 3.2114 3.2114 3.2114 3.2114 11.2218 11.2218 11.2218 11.2218 20.1240 20.1240 20.1240 20.1240 20.8210 20.8210 20.8210 20.8210 23.3367 23.3367 23.3367 23.3367 24.6409 24.6409 24.6409 24.6409 k = 0.1178 0.1365 0.1282 ( 864 PWs) bands (ev): -0.9269 -0.9269 -0.9269 -0.9269 3.1360 3.1360 3.1360 3.1360 11.1534 11.1534 11.1534 11.1534 20.3477 20.3477 20.3477 20.3477 20.8928 20.8928 20.8928 20.8928 23.5503 23.5503 23.5503 23.5503 24.7181 24.7181 24.7181 24.7181 k = 0.1134 0.1314 0.1282 ( 862 PWs) bands (ev): -1.0010 -1.0010 -1.0010 -1.0010 3.0633 3.0633 3.0633 3.0633 11.0873 11.0873 11.0873 11.0873 20.5736 20.5736 20.5736 20.5736 20.9572 20.9572 20.9572 20.9572 23.7657 23.7657 23.7657 23.7657 24.8032 24.8032 24.8032 24.8032 k = 0.1091 0.1264 0.1282 ( 866 PWs) bands (ev): -1.0724 -1.0724 -1.0724 -1.0724 2.9932 2.9932 2.9932 2.9932 11.0235 11.0235 11.0235 11.0235 20.8014 20.8014 20.8014 20.8014 21.0147 21.0147 21.0147 21.0147 23.9827 23.9827 23.9827 23.9827 24.8963 24.8963 24.8963 24.8963 k = 0.1047 0.1213 0.1282 ( 866 PWs) bands (ev): -1.1411 -1.1411 -1.1411 -1.1411 2.9259 2.9259 2.9259 2.9259 10.9622 10.9622 10.9622 10.9622 21.0263 21.0263 21.0263 21.0263 21.0702 21.0702 21.0702 21.0702 24.2012 24.2012 24.2012 24.2012 24.9975 24.9975 24.9975 24.9975 k = 0.1004 0.1162 0.1282 ( 866 PWs) bands (ev): -1.2069 -1.2069 -1.2069 -1.2069 2.8613 2.8613 2.8613 2.8613 10.9032 10.9032 10.9032 10.9032 21.1050 21.1050 21.1050 21.1050 21.2674 21.2674 21.2674 21.2674 24.4211 24.4211 24.4211 24.4211 25.1065 25.1065 25.1065 25.1065 k = 0.0960 0.1112 0.1282 ( 866 PWs) bands (ev): -1.2700 -1.2700 -1.2700 -1.2700 2.7994 2.7994 2.7994 2.7994 10.8467 10.8467 10.8467 10.8467 21.1427 21.1427 21.1427 21.1427 21.5014 21.5014 21.5014 21.5014 24.6422 24.6422 24.6422 24.6422 25.2231 25.2231 25.2231 25.2231 k = 0.0916 0.1061 0.1282 ( 866 PWs) bands (ev): -1.3302 -1.3302 -1.3302 -1.3302 2.7403 2.7403 2.7403 2.7403 10.7927 10.7927 10.7927 10.7927 21.1740 21.1740 21.1740 21.1740 21.7382 21.7382 21.7382 21.7382 24.8643 24.8643 24.8643 24.8643 25.3466 25.3466 25.3466 25.3466 k = 0.0873 0.1011 0.1282 ( 862 PWs) bands (ev): -1.3877 -1.3877 -1.3877 -1.3877 2.6839 2.6839 2.6839 2.6839 10.7410 10.7410 10.7410 10.7410 21.1998 21.1998 21.1998 21.1998 21.9770 21.9770 21.9770 21.9770 25.0871 25.0871 25.0871 25.0871 25.4767 25.4767 25.4767 25.4767 k = 0.0829 0.0960 0.1282 ( 862 PWs) bands (ev): -1.4424 -1.4424 -1.4424 -1.4424 2.6302 2.6302 2.6302 2.6302 10.6918 10.6918 10.6918 10.6918 21.2209 21.2209 21.2209 21.2209 22.2179 22.2179 22.2179 22.2179 25.3104 25.3104 25.3104 25.3104 25.6127 25.6127 25.6127 25.6127 k = 0.0785 0.0910 0.1282 ( 858 PWs) bands (ev): -1.4943 -1.4943 -1.4943 -1.4943 2.5792 2.5792 2.5792 2.5792 10.6451 10.6451 10.6451 10.6451 21.2377 21.2377 21.2377 21.2377 22.4606 22.4606 22.4606 22.4606 25.5337 25.5337 25.5337 25.5337 25.7538 25.7538 25.7538 25.7538 k = 0.0742 0.0859 0.1282 ( 858 PWs) bands (ev): -1.5435 -1.5435 -1.5435 -1.5435 2.5310 2.5310 2.5310 2.5310 10.6009 10.6009 10.6009 10.6009 21.2509 21.2509 21.2509 21.2509 22.7052 22.7052 22.7052 22.7052 25.7566 25.7566 25.7566 25.7566 25.8995 25.8995 25.8995 25.8995 k = 0.0698 0.0809 0.1282 ( 858 PWs) bands (ev): -1.5898 -1.5898 -1.5898 -1.5898 2.4855 2.4855 2.4855 2.4855 10.5592 10.5592 10.5592 10.5592 21.2609 21.2609 21.2609 21.2609 22.9514 22.9514 22.9514 22.9514 25.9784 25.9784 25.9784 25.9784 26.0491 26.0491 26.0491 26.0491 k = 0.0654 0.0758 0.1282 ( 854 PWs) bands (ev): -1.6333 -1.6333 -1.6333 -1.6333 2.4428 2.4428 2.4428 2.4428 10.5199 10.5199 10.5199 10.5199 21.2683 21.2683 21.2683 21.2683 23.1991 23.1991 23.1991 23.1991 26.1966 26.1966 26.1966 26.1966 26.2034 26.2034 26.2034 26.2034 k = 0.0611 0.0708 0.1282 ( 854 PWs) bands (ev): -1.6741 -1.6741 -1.6741 -1.6741 2.4028 2.4028 2.4028 2.4028 10.4831 10.4831 10.4831 10.4831 21.2734 21.2734 21.2734 21.2734 23.4483 23.4483 23.4483 23.4483 26.3562 26.3562 26.3562 26.3562 26.4158 26.4158 26.4158 26.4158 k = 0.0567 0.0657 0.1282 ( 854 PWs) bands (ev): -1.7120 -1.7120 -1.7120 -1.7120 2.3655 2.3655 2.3655 2.3655 10.4489 10.4489 10.4489 10.4489 21.2766 21.2766 21.2766 21.2766 23.6985 23.6985 23.6985 23.6985 26.5126 26.5126 26.5126 26.5126 26.6285 26.6285 26.6285 26.6285 k = 0.0524 0.0606 0.1282 ( 854 PWs) bands (ev): -1.7471 -1.7471 -1.7471 -1.7471 2.3310 2.3310 2.3310 2.3310 10.4172 10.4172 10.4172 10.4172 21.2783 21.2783 21.2783 21.2783 23.9497 23.9497 23.9497 23.9497 26.6695 26.6695 26.6695 26.6695 26.8351 26.8351 26.8351 26.8351 k = 0.0480 0.0556 0.1282 ( 854 PWs) bands (ev): -1.7794 -1.7794 -1.7794 -1.7794 2.2993 2.2993 2.2993 2.2993 10.3879 10.3879 10.3879 10.3879 21.2789 21.2789 21.2789 21.2789 24.2015 24.2015 24.2015 24.2015 26.8261 26.8261 26.8261 26.8261 27.0329 27.0329 27.0329 27.0329 k = 0.0436 0.0505 0.1282 ( 854 PWs) bands (ev): -1.8090 -1.8090 -1.8090 -1.8090 2.2703 2.2703 2.2703 2.2703 10.3613 10.3613 10.3613 10.3613 21.2785 21.2785 21.2785 21.2785 24.4534 24.4534 24.4534 24.4534 26.9813 26.9813 26.9813 26.9813 27.2184 27.2184 27.2184 27.2184 k = 0.0393 0.0455 0.1282 ( 850 PWs) bands (ev): -1.8357 -1.8357 -1.8357 -1.8357 2.2441 2.2441 2.2441 2.2441 10.3371 10.3371 10.3371 10.3371 21.2775 21.2775 21.2775 21.2775 24.7050 24.7050 24.7050 24.7050 27.1339 27.1339 27.1339 27.1339 27.3867 27.3867 27.3867 27.3867 k = 0.0349 0.0404 0.1282 ( 846 PWs) bands (ev): -1.8596 -1.8596 -1.8596 -1.8596 2.2206 2.2206 2.2206 2.2206 10.3155 10.3155 10.3155 10.3155 21.2761 21.2761 21.2761 21.2761 24.9555 24.9555 24.9555 24.9555 27.2825 27.2825 27.2825 27.2825 27.5315 27.5315 27.5315 27.5315 k = 0.0305 0.0354 0.1282 ( 850 PWs) bands (ev): -1.8807 -1.8807 -1.8807 -1.8807 2.1999 2.1999 2.1999 2.1999 10.2964 10.2964 10.2964 10.2964 21.2744 21.2744 21.2744 21.2744 25.2039 25.2039 25.2039 25.2039 27.4254 27.4254 27.4254 27.4254 27.6446 27.6446 27.6446 27.6446 k = 0.0262 0.0303 0.1282 ( 848 PWs) bands (ev): -1.8990 -1.8990 -1.8990 -1.8990 2.1820 2.1820 2.1820 2.1820 10.2798 10.2798 10.2798 10.2798 21.2727 21.2727 21.2727 21.2727 25.4488 25.4488 25.4488 25.4488 27.5603 27.5603 27.5603 27.5603 27.7177 27.7177 27.7177 27.7177 k = 0.0218 0.0253 0.1282 ( 852 PWs) bands (ev): -1.9144 -1.9144 -1.9144 -1.9144 2.1668 2.1668 2.1668 2.1668 10.2658 10.2658 10.2658 10.2658 21.2710 21.2710 21.2710 21.2710 25.6879 25.6879 25.6879 25.6879 27.6844 27.6844 27.6844 27.6844 27.7442 27.7442 27.7442 27.7442 k = 0.0175 0.0202 0.1282 ( 852 PWs) bands (ev): -1.9271 -1.9271 -1.9271 -1.9271 2.1543 2.1543 2.1543 2.1543 10.2543 10.2543 10.2543 10.2543 21.2695 21.2695 21.2695 21.2695 25.9177 25.9177 25.9177 25.9177 27.7201 27.7201 27.7201 27.7201 27.7972 27.7972 27.7972 27.7972 k = 0.0131 0.0152 0.1282 ( 852 PWs) bands (ev): -1.9369 -1.9369 -1.9369 -1.9369 2.1446 2.1446 2.1446 2.1446 10.2454 10.2454 10.2454 10.2454 21.2682 21.2682 21.2682 21.2682 26.1319 26.1319 26.1319 26.1319 27.6576 27.6576 27.6576 27.6576 27.8902 27.8902 27.8902 27.8902 k = 0.0087 0.0101 0.1282 ( 852 PWs) bands (ev): -1.9440 -1.9440 -1.9440 -1.9440 2.1377 2.1377 2.1377 2.1377 10.2390 10.2390 10.2390 10.2390 21.2672 21.2672 21.2672 21.2672 26.3187 26.3187 26.3187 26.3187 27.5713 27.5713 27.5713 27.5713 27.9616 27.9616 27.9616 27.9616 k = 0.0044 0.0051 0.1282 ( 854 PWs) bands (ev): -1.9482 -1.9482 -1.9482 -1.9482 2.1336 2.1336 2.1336 2.1336 10.2352 10.2352 10.2352 10.2352 21.2666 21.2666 21.2666 21.2666 26.4559 26.4559 26.4559 26.4559 27.4910 27.4910 27.4910 27.4910 28.0068 28.0068 28.0068 28.0068 k = 0.0000 0.0000 0.1282 ( 854 PWs) bands (ev): -1.9496 -1.9496 -1.9496 -1.9496 2.1322 2.1322 2.1322 2.1322 10.2339 10.2339 10.2339 10.2339 21.2664 21.2664 21.2664 21.2664 26.5087 26.5087 26.5087 26.5087 27.4566 27.4566 27.4566 27.4566 28.0223 28.0223 28.0223 28.0223 k = 0.0000 0.0000 0.1282 ( 854 PWs) bands (ev): -1.9496 -1.9496 -1.9496 -1.9496 2.1322 2.1322 2.1322 2.1322 10.2339 10.2339 10.2339 10.2339 21.2664 21.2664 21.2664 21.2664 26.5087 26.5087 26.5087 26.5087 27.4566 27.4566 27.4566 27.4566 28.0223 28.0223 28.0223 28.0223 k = 0.0000 0.0000 0.1218 ( 854 PWs) bands (ev): -2.0002 -2.0002 -1.8965 -1.8965 1.9835 1.9835 2.2831 2.2831 9.9950 9.9950 10.4752 10.4752 20.9690 20.9690 21.5637 21.5637 26.4880 26.4880 26.5295 26.5295 27.4353 27.4353 27.4791 27.4791 27.9895 27.9895 28.0569 28.0569 k = 0.0000 0.0000 0.1154 ( 856 PWs) bands (ev): -2.0481 -2.0481 -1.8408 -1.8408 1.8369 1.8369 2.4360 2.4360 9.7585 9.7585 10.7188 10.7188 20.6715 20.6715 21.8605 21.8605 26.4677 26.4677 26.5502 26.5502 27.4152 27.4152 27.5026 27.5026 27.9585 27.9585 28.0933 28.0933 k = 0.0000 0.0000 0.1089 ( 854 PWs) bands (ev): -2.0935 -2.0935 -1.7825 -1.7825 1.6926 1.6926 2.5908 2.5908 9.5244 9.5244 10.9646 10.9646 20.3742 20.3742 22.1567 22.1567 26.4477 26.4477 26.5707 26.5707 27.3967 27.3967 27.5269 27.5269 27.9292 27.9292 28.1317 28.1317 k = 0.0000 0.0000 0.1025 ( 852 PWs) bands (ev): -2.1363 -2.1363 -1.7217 -1.7217 1.5505 1.5505 2.7477 2.7477 9.2929 9.2929 11.2126 11.2126 20.0771 20.0771 22.4519 22.4519 26.4283 26.4283 26.5908 26.5908 27.3798 27.3798 27.5519 27.5519 27.9017 27.9017 28.1720 28.1720 k = 0.0000 0.0000 0.0961 ( 860 PWs) bands (ev): -2.1765 -2.1765 -1.6583 -1.6583 1.4106 1.4106 2.9063 2.9063 9.0641 9.0641 11.4627 11.4627 19.7806 19.7806 22.7459 22.7459 26.4096 26.4096 26.6102 26.6102 27.3646 27.3646 27.5773 27.5773 27.8759 27.8759 28.2142 28.2142 k = 0.0000 0.0000 0.0897 ( 864 PWs) bands (ev): -2.2142 -2.2142 -1.5924 -1.5924 1.2730 1.2730 3.0666 3.0666 8.8381 8.8381 11.7149 11.7149 19.4845 19.4845 23.0381 23.0381 26.3917 26.3917 26.6289 26.6289 27.3512 27.3512 27.6029 27.6029 27.8518 27.8518 28.2583 28.2583 k = 0.0000 0.0000 0.0833 ( 864 PWs) bands (ev): -2.2492 -2.2492 -1.5239 -1.5239 1.1378 1.1378 3.2284 3.2284 8.6151 8.6151 11.9692 11.9692 19.1892 19.1892 23.3282 23.3282 26.3746 26.3746 26.6466 26.6466 27.3396 27.3396 27.6285 27.6285 27.8294 27.8294 28.3043 28.3043 k = 0.0000 0.0000 0.0769 ( 863 PWs) bands (ev): -2.2817 -2.2817 -1.4528 -1.4528 1.0049 1.0049 3.3916 3.3916 8.3952 8.3952 12.2255 12.2255 18.8946 18.8946 23.6155 23.6155 26.3585 26.3585 26.6631 26.6631 27.3299 27.3299 27.6539 27.6539 27.8087 27.8087 28.3520 28.3520 k = 0.0000 0.0000 0.0705 ( 859 PWs) bands (ev): -2.3115 -2.3115 -1.3792 -1.3792 0.8743 0.8743 3.5558 3.5558 8.1788 8.1788 12.4838 12.4838 18.6009 18.6009 23.8995 23.8995 26.3434 26.3434 26.6783 26.6783 27.3221 27.3221 27.6787 27.6787 27.7897 27.7897 28.4006 28.4006 k = 0.0000 0.0000 0.0641 ( 859 PWs) bands (ev): -2.3388 -2.3388 -1.3031 -1.3031 0.7462 0.7462 3.7207 3.7207 7.9663 7.9663 12.7441 12.7441 18.3082 18.3082 24.1791 24.1791 26.3295 26.3295 26.6921 26.6921 27.3161 27.3161 27.7028 27.7028 27.7723 27.7723 28.4484 28.4484 k = 0.0000 0.0000 0.0577 ( 857 PWs) bands (ev): -2.3635 -2.3635 -1.2244 -1.2244 0.6204 0.6204 3.8859 3.8859 7.7581 7.7581 13.0064 13.0064 18.0165 18.0165 24.4532 24.4532 26.3167 26.3167 26.7044 26.7044 27.3118 27.3118 27.7257 27.7257 27.7566 27.7566 28.4889 28.4889 k = 0.0000 0.0000 0.0513 ( 857 PWs) bands (ev): -2.3856 -2.3856 -1.1432 -1.1432 0.4970 0.4970 4.0505 4.0505 7.5548 7.5548 13.2705 13.2705 17.7259 17.7259 24.7205 24.7205 26.3051 26.3051 26.7151 26.7151 27.3089 27.3089 27.7421 27.7421 27.7477 27.7477 28.5002 28.5002 k = 0.0000 0.0000 0.0449 ( 857 PWs) bands (ev): -2.4051 -2.4051 -1.0594 -1.0594 0.3760 0.3760 4.2136 4.2136 7.3577 7.3577 13.5365 13.5365 17.4364 17.4364 24.9789 24.9789 26.2948 26.2948 26.7243 26.7243 27.3074 27.3074 27.7298 27.7298 27.7675 27.7675 28.4548 28.4548 k = 0.0000 0.0000 0.0385 ( 857 PWs) bands (ev): -2.4220 -2.4220 -0.9732 -0.9732 0.2575 0.2575 4.3737 4.3737 7.1681 7.1681 13.8043 13.8043 17.1482 17.1482 25.2259 25.2259 26.2858 26.2858 26.7321 26.7321 27.3068 27.3068 27.7189 27.7189 27.7855 27.7855 28.3730 28.3730 k = 0.0000 0.0000 0.0320 ( 861 PWs) bands (ev): -2.4363 -2.4363 -0.8844 -0.8844 0.1414 0.1414 4.5284 4.5284 6.9883 6.9883 14.0739 14.0739 16.8613 16.8613 25.4576 25.4576 26.2781 26.2781 26.7384 26.7384 27.3070 27.3070 27.7096 27.7096 27.8013 27.8013 28.2785 28.2785 k = 0.0000 0.0000 0.0256 ( 861 PWs) bands (ev): -2.4480 -2.4480 -0.7931 -0.7931 0.0277 0.0277 4.6743 4.6743 6.8219 6.8219 14.3453 14.3453 16.5757 16.5757 25.6691 25.6691 26.2718 26.2718 26.7434 26.7434 27.3076 27.3076 27.7018 27.7018 27.8147 27.8147 28.1808 28.1808 k = 0.0000 0.0000 0.0192 ( 861 PWs) bands (ev): -2.4571 -2.4571 -0.6993 -0.6993 -0.0835 -0.0835 4.8057 4.8057 6.6747 6.6747 14.6184 14.6184 16.2915 16.2915 25.8527 25.8527 26.2668 26.2668 26.7472 26.7472 27.3084 27.3084 27.6955 27.6955 27.8254 27.8254 28.0877 28.0877 k = 0.0000 0.0000 0.0128 ( 861 PWs) bands (ev): -2.4636 -2.4636 -0.6031 -0.6031 -0.1921 -0.1921 4.9140 4.9140 6.5551 6.5551 14.8932 14.8932 16.0088 16.0088 25.9984 25.9984 26.2633 26.2633 26.7498 26.7498 27.3092 27.3092 27.6906 27.6906 27.8331 27.8331 28.0081 28.0081 k = 0.0000 0.0000 0.0064 ( 861 PWs) bands (ev): -2.4675 -2.4675 -0.5046 -0.5046 -0.2980 -0.2980 4.9872 4.9872 6.4750 6.4750 15.1697 15.1697 15.7276 15.7276 26.0937 26.0937 26.2612 26.2612 26.7513 26.7513 27.3097 27.3097 27.6873 27.6873 27.8379 27.8379 27.9532 27.9532 k = 0.0000 0.0000 0.0000 ( 861 PWs) bands (ev): -2.4688 -2.4688 -0.4147 -0.4147 -0.3904 -0.3904 5.0135 5.0135 6.4465 6.4465 15.4417 15.4417 15.4541 15.4541 26.1271 26.1271 26.2605 26.2605 26.7518 26.7518 27.3099 27.3099 27.6861 27.6861 27.8395 27.8395 27.9335 27.9335 k = 0.0000 0.0000 0.0000 ( 861 PWs) bands (ev): -2.4688 -2.4688 -0.4147 -0.4147 -0.3904 -0.3904 5.0135 5.0135 6.4465 6.4465 15.4417 15.4417 15.4541 15.4541 26.1271 26.1271 26.2605 26.2605 26.7518 26.7518 27.3099 27.3099 27.6861 27.6861 27.8395 27.8395 27.9335 27.9335 k =-0.0051 0.0044-0.0000 ( 861 PWs) bands (ev): -2.4674 -2.4674 -0.4133 -0.4133 -0.3890 -0.3890 5.0148 5.0148 6.4478 6.4478 15.4428 15.4428 15.4553 15.4553 26.0942 26.0942 26.2195 26.2195 26.7690 26.7690 27.2626 27.2626 27.7268 27.7268 27.8214 27.8214 27.9652 27.9652 k =-0.0101 0.0087-0.0000 ( 861 PWs) bands (ev): -2.4631 -2.4631 -0.4091 -0.4091 -0.3848 -0.3848 5.0190 5.0190 6.4517 6.4517 15.4461 15.4461 15.4587 15.4587 26.0065 26.0065 26.1087 26.1087 26.8092 26.8092 27.1434 27.1434 27.7494 27.7494 27.8560 27.8560 28.0387 28.0387 k =-0.0152 0.0131-0.0000 ( 861 PWs) bands (ev): -2.4561 -2.4561 -0.4021 -0.4021 -0.3779 -0.3779 5.0259 5.0259 6.4583 6.4583 15.4517 15.4517 15.4644 15.4644 25.8832 25.8832 25.9517 25.9517 26.8523 26.8523 26.9853 26.9853 27.6594 27.6594 28.0171 28.0171 28.1248 28.1248 k =-0.0202 0.0174-0.0000 ( 861 PWs) bands (ev): -2.4462 -2.4462 -0.3924 -0.3924 -0.3681 -0.3681 5.0355 5.0355 6.4675 6.4675 15.4595 15.4595 15.4723 15.4723 25.7380 25.7380 25.7679 25.7679 26.8063 26.8063 26.8839 26.8839 27.5389 27.5389 28.1775 28.1775 28.2414 28.2414 k =-0.0253 0.0218 0.0000 ( 861 PWs) bands (ev): -2.4335 -2.4335 -0.3798 -0.3798 -0.3555 -0.3555 5.0479 5.0479 6.4793 6.4793 15.4695 15.4695 15.4826 15.4826 25.5681 25.5681 25.5793 25.5793 26.6156 26.6156 26.8960 26.8960 27.3970 27.3970 28.2577 28.2577 28.4487 28.4487 k =-0.0303 0.0262-0.0000 ( 861 PWs) bands (ev): -2.4180 -2.4180 -0.3644 -0.3644 -0.3401 -0.3401 5.0630 5.0630 6.4937 6.4937 15.4817 15.4817 15.4951 15.4951 25.3609 25.3609 25.4100 25.4100 26.4177 26.4177 26.8854 26.8854 27.2397 27.2397 28.3175 28.3175 28.6797 28.6797 k =-0.0354 0.0305-0.0000 ( 861 PWs) bands (ev): -2.3997 -2.3997 -0.3463 -0.3463 -0.3220 -0.3220 5.0809 5.0809 6.5108 6.5108 15.4962 15.4962 15.5099 15.5099 25.1487 25.1487 25.2343 25.2343 26.2155 26.2155 26.8518 26.8518 27.0711 27.0711 28.3680 28.3680 28.9207 28.9207 k =-0.0404 0.0349-0.0000 ( 853 PWs) bands (ev): -2.3785 -2.3785 -0.3253 -0.3253 -0.3010 -0.3010 5.1015 5.1015 6.5305 6.5305 15.5128 15.5128 15.5269 15.5269 24.9340 24.9340 25.0537 25.0537 26.0106 26.0106 26.7972 26.7972 26.8946 26.8946 28.4121 28.4121 29.1588 29.1588 k =-0.0455 0.0392 0.0000 ( 857 PWs) bands (ev): -2.3546 -2.3546 -0.3016 -0.3016 -0.2773 -0.2773 5.1249 5.1249 6.5528 6.5528 15.5316 15.5316 15.5462 15.5462 24.7184 24.7184 24.8696 24.8696 25.8043 25.8043 26.7126 26.7126 26.7244 26.7244 28.4519 28.4519 29.2518 29.2518 k =-0.0505 0.0436-0.0000 ( 857 PWs) bands (ev): -2.3278 -2.3278 -0.2751 -0.2751 -0.2508 -0.2508 5.1510 5.1510 6.5777 6.5777 15.5526 15.5526 15.5677 15.5677 24.5028 24.5028 24.6830 24.6830 25.5975 25.5975 26.5270 26.5270 26.6363 26.6363 28.4889 28.4889 29.3325 29.3325 k =-0.0556 0.0480 0.0000 ( 857 PWs) bands (ev): -2.2982 -2.2982 -0.2458 -0.2458 -0.2215 -0.2215 5.1798 5.1798 6.6052 6.6052 15.5757 15.5757 15.5914 15.5914 24.2879 24.2879 24.4946 24.4946 25.3908 25.3908 26.3390 26.3390 26.5361 26.5361 28.5242 28.5242 29.2656 29.2656 k =-0.0606 0.0523-0.0000 ( 857 PWs) bands (ev): -2.2658 -2.2658 -0.2137 -0.2137 -0.1894 -0.1894 5.2114 5.2114 6.6354 6.6354 15.6009 15.6009 15.6173 15.6173 24.0740 24.0740 24.3052 24.3052 25.1845 25.1845 26.1496 26.1496 26.4261 26.4261 28.5587 28.5587 29.1137 29.1137 k =-0.0657 0.0567-0.0000 ( 861 PWs) bands (ev): -2.2306 -2.2306 -0.1788 -0.1788 -0.1545 -0.1545 5.2458 5.2458 6.6681 6.6681 15.6283 15.6283 15.6454 15.6454 23.8614 23.8614 24.1151 24.1151 24.9792 24.9792 25.9597 25.9597 26.3084 26.3084 28.5930 28.5930 28.9577 28.9577 k =-0.0707 0.0610-0.0000 ( 869 PWs) bands (ev): -2.1926 -2.1926 -0.1412 -0.1412 -0.1168 -0.1168 5.2828 5.2828 6.7035 6.7035 15.6578 15.6578 15.6758 15.6758 23.6505 23.6505 23.9247 23.9247 24.7750 24.7750 25.7698 25.7698 26.1845 26.1845 28.6274 28.6274 28.7985 28.7985 k =-0.0758 0.0654-0.0000 ( 869 PWs) bands (ev): -2.1518 -2.1518 -0.1007 -0.1007 -0.0764 -0.0764 5.3226 5.3226 6.7415 6.7415 15.6893 15.6893 15.7082 15.7082 23.4414 23.4414 23.7346 23.7346 24.5722 24.5722 25.5804 25.5804 26.0556 26.0556 28.6369 28.6369 28.6625 28.6625 k =-0.0808 0.0698-0.0000 ( 869 PWs) bands (ev): -2.1081 -2.1081 -0.0575 -0.0575 -0.0332 -0.0332 5.3651 5.3651 6.7821 6.7821 15.7229 15.7229 15.7429 15.7429 23.2342 23.2342 23.5448 23.5448 24.3710 24.3710 25.3919 25.3919 25.9229 25.9229 28.4734 28.4734 28.6983 28.6983 k =-0.0859 0.0741-0.0000 ( 869 PWs) bands (ev): -2.0617 -2.0617 -0.0115 -0.0115 0.0128 0.0128 5.4103 5.4103 6.8253 6.8253 15.7585 15.7585 15.7796 15.7796 23.0290 23.0290 23.3557 23.3557 24.1714 24.1714 25.2047 25.2047 25.7870 25.7870 28.3085 28.3085 28.7350 28.7350 k =-0.0909 0.0785-0.0000 ( 867 PWs) bands (ev): -2.0124 -2.0124 0.0372 0.0372 0.0616 0.0616 5.4583 5.4583 6.8712 6.8712 15.7961 15.7961 15.8184 15.8184 22.8259 22.8259 23.1674 23.1674 23.9737 23.9737 25.0188 25.0188 25.6486 25.6486 28.1428 28.1428 28.7728 28.7728 k =-0.0960 0.0828-0.0000 ( 863 PWs) bands (ev): -1.9604 -1.9604 0.0888 0.0888 0.1132 0.1132 5.5089 5.5089 6.9196 6.9196 15.8356 15.8356 15.8594 15.8594 22.6250 22.6250 22.9802 22.9802 23.7779 23.7779 24.8347 24.8347 25.5082 25.5082 27.9765 27.9765 28.8117 28.8117 k =-0.1010 0.0872-0.0000 ( 863 PWs) bands (ev): -1.9056 -1.9056 0.1431 0.1431 0.1675 0.1675 5.5623 5.5623 6.9706 6.9706 15.8770 15.8770 15.9023 15.9023 22.4263 22.4263 22.7942 22.7942 23.5841 23.5841 24.6524 24.6524 25.3662 25.3662 27.8100 27.8100 28.8517 28.8517 k =-0.1061 0.0916-0.0000 ( 863 PWs) bands (ev): -1.8479 -1.8479 0.2001 0.2001 0.2246 0.2246 5.6183 5.6183 7.0242 7.0242 15.9202 15.9202 15.9473 15.9473 22.2298 22.2298 22.6095 22.6095 23.3923 23.3923 24.4722 24.4722 25.2229 25.2229 27.6437 27.6437 28.8927 28.8927 k =-0.1111 0.0959-0.0000 ( 865 PWs) bands (ev): -1.7875 -1.7875 0.2600 0.2600 0.2844 0.2844 5.6771 5.6771 7.0804 7.0804 15.9653 15.9653 15.9943 15.9943 22.0357 22.0357 22.4262 22.4262 23.2027 23.2027 24.2941 24.2941 25.0786 25.0786 27.4778 27.4778 28.9349 28.9349 k =-0.1162 0.1003-0.0000 ( 865 PWs) bands (ev): -1.7243 -1.7243 0.3225 0.3225 0.3470 0.3470 5.7385 5.7385 7.1393 7.1393 16.0121 16.0121 16.0432 16.0432 21.8439 21.8439 22.2444 22.2444 23.0152 23.0152 24.1184 24.1184 24.9336 24.9336 27.3125 27.3125 28.9779 28.9779 k =-0.1212 0.1046-0.0000 ( 861 PWs) bands (ev): -1.6583 -1.6583 0.3879 0.3879 0.4124 0.4124 5.8027 5.8027 7.2006 7.2006 16.0606 16.0606 16.0941 16.0941 21.6545 21.6545 22.0643 22.0643 22.8299 22.8299 23.9450 23.9450 24.7881 24.7881 27.1481 27.1481 29.0217 29.0217 k =-0.1263 0.1090 0.0000 ( 861 PWs) bands (ev): -1.5895 -1.5895 0.4560 0.4560 0.4805 0.4805 5.8695 5.8695 7.2646 7.2646 16.1107 16.1107 16.1468 16.1468 21.4675 21.4675 21.8859 21.8859 22.6469 22.6469 23.7742 23.7742 24.6423 24.6423 26.9847 26.9847 29.0661 29.0661 k =-0.1313 0.1134-0.0000 ( 861 PWs) bands (ev): -1.5180 -1.5180 0.5268 0.5268 0.5514 0.5514 5.9389 5.9389 7.3312 7.3312 16.1624 16.1624 16.2014 16.2014 21.2829 21.2829 21.7093 21.7093 22.4662 22.4662 23.6060 23.6060 24.4963 24.4963 26.8226 26.8226 29.1055 29.1055 k =-0.1364 0.1177 0.0000 ( 861 PWs) bands (ev): -1.4436 -1.4436 0.6004 0.6004 0.6250 0.6250 6.0111 6.0111 7.4003 7.4003 16.2155 16.2155 16.2577 16.2577 21.1007 21.1007 21.5345 21.5345 22.2877 22.2877 23.4406 23.4406 24.3502 24.3502 26.6619 26.6619 28.9717 28.9717 k =-0.1414 0.1221-0.0000 ( 859 PWs) bands (ev): -1.3665 -1.3665 0.6767 0.6767 0.7014 0.7014 6.0859 6.0859 7.4720 7.4720 16.2700 16.2700 16.3157 16.3157 20.9209 20.9209 21.3615 21.3615 22.1116 22.1116 23.2781 23.2781 24.2043 24.2043 26.5027 26.5027 28.8310 28.8310 k =-0.1465 0.1264 0.0000 ( 855 PWs) bands (ev): -1.2866 -1.2866 0.7558 0.7558 0.7805 0.7805 6.1633 6.1633 7.5462 7.5462 16.3258 16.3258 16.3755 16.3755 20.7436 20.7436 21.1905 21.1905 21.9378 21.9378 23.1185 23.1185 24.0586 24.0586 26.3452 26.3452 28.6906 28.6906 k =-0.1515 0.1308-0.0000 ( 856 PWs) bands (ev): -1.2040 -1.2040 0.8376 0.8376 0.8623 0.8623 6.2434 6.2434 7.6230 7.6230 16.3827 16.3827 16.4368 16.4368 20.5688 20.5688 21.0215 21.0215 21.7664 21.7664 22.9620 22.9620 23.9132 23.9132 26.1896 26.1896 28.5509 28.5509 k =-0.1566 0.1352 0.0000 ( 858 PWs) bands (ev): -1.1186 -1.1186 0.9221 0.9221 0.9469 0.9469 6.3261 6.3261 7.7024 7.7024 16.4406 16.4406 16.4996 16.4996 20.3964 20.3964 20.8545 20.8545 21.5974 21.5974 22.8088 22.8088 23.7683 23.7683 26.0360 26.0360 28.4118 28.4118 k =-0.1616 0.1395-0.0000 ( 858 PWs) bands (ev): -1.0304 -1.0304 1.0094 1.0094 1.0342 1.0342 6.4115 6.4115 7.7843 7.7843 16.4994 16.4994 16.5640 16.5640 20.2266 20.2266 20.6896 20.6896 21.4308 21.4308 22.6588 22.6588 23.6238 23.6238 25.8845 25.8845 28.2738 28.2738 k =-0.1667 0.1439 0.0000 ( 858 PWs) bands (ev): -0.9395 -0.9395 1.0994 1.0994 1.1242 1.1242 6.4994 6.4994 7.8688 7.8688 16.5590 16.5590 16.6297 16.6297 20.0592 20.0592 20.5267 20.5267 21.2666 21.2666 22.5123 22.5123 23.4800 23.4800 25.7352 25.7352 28.1368 28.1368 k =-0.1717 0.1482-0.0000 ( 854 PWs) bands (ev): -0.8458 -0.8458 1.1921 1.1921 1.2169 1.2169 6.5900 6.5900 7.9557 7.9557 16.6191 16.6191 16.6967 16.6967 19.8944 19.8944 20.3659 20.3659 21.1049 21.1049 22.3695 22.3695 23.3368 23.3368 25.5883 25.5883 28.0010 28.0010 k =-0.1768 0.1526 0.0000 ( 856 PWs) bands (ev): -0.7494 -0.7494 1.2875 1.2875 1.3124 1.3124 6.6831 6.6831 8.0453 8.0453 16.6795 16.6795 16.7648 16.7648 19.7322 19.7322 20.2073 20.2073 20.9456 20.9456 22.2304 22.2304 23.1944 23.1944 25.4439 25.4439 27.8665 27.8665 k =-0.1818 0.1570-0.0000 ( 856 PWs) bands (ev): -0.6503 -0.6503 1.3856 1.3856 1.4105 1.4105 6.7789 6.7789 8.1373 8.1373 16.7401 16.7401 16.8341 16.8341 19.5725 19.5725 20.0508 20.0508 20.7887 20.7887 22.0953 22.0953 23.0527 23.0527 25.3021 25.3021 27.7334 27.7334 k =-0.1869 0.1613 0.0000 ( 852 PWs) bands (ev): -0.5484 -0.5484 1.4864 1.4864 1.5114 1.5114 6.8772 6.8772 8.2318 8.2318 16.8006 16.8006 16.9043 16.9043 19.4153 19.4153 19.8965 19.8965 20.6343 20.6343 21.9644 21.9644 22.9120 22.9120 25.1631 25.1631 27.6019 27.6019 k =-0.1919 0.1657-0.0000 ( 852 PWs) bands (ev): -0.4438 -0.4438 1.5899 1.5899 1.6149 1.6149 6.9780 6.9780 8.3288 8.3288 16.8606 16.8606 16.9754 16.9754 19.2608 19.2608 19.7444 19.7444 20.4824 20.4824 21.8378 21.8378 22.7720 22.7720 25.0269 25.0269 27.4721 27.4721 k =-0.1970 0.1700 0.0000 ( 852 PWs) bands (ev): -0.3365 -0.3365 1.6961 1.6961 1.7212 1.7212 7.0814 7.0814 8.4283 8.4283 16.9199 16.9199 17.0472 17.0472 19.1089 19.1089 19.5945 19.5945 20.3329 20.3329 21.7159 21.7159 22.6331 22.6331 24.8938 24.8938 27.3440 27.3440 k =-0.2020 0.1744-0.0000 ( 852 PWs) bands (ev): -0.2264 -0.2264 1.8049 1.8049 1.8301 1.8301 7.1874 7.1874 8.5303 8.5303 16.9781 16.9781 17.1196 17.1196 18.9596 18.9596 19.4468 19.4468 20.1860 20.1860 21.5988 21.5988 22.4951 22.4951 24.7638 24.7638 27.2178 27.2178 k =-0.2071 0.1788 0.0000 ( 852 PWs) bands (ev): -0.1136 -0.1136 1.9165 1.9165 1.9417 1.9417 7.2959 7.2959 8.6348 8.6348 17.0348 17.0348 17.1923 17.1923 18.8131 18.8131 19.3013 19.3013 20.0415 20.0415 21.4869 21.4869 22.3580 22.3580 24.6371 24.6371 27.0935 27.0935 k =-0.2121 0.1831-0.0000 ( 854 PWs) bands (ev): 0.0018 0.0018 2.0307 2.0307 2.0560 2.0560 7.4069 7.4069 8.7417 8.7417 17.0896 17.0896 17.2652 17.2652 18.6694 18.6694 19.1581 19.1581 19.8996 19.8996 21.3805 21.3805 22.2220 22.2220 24.5138 24.5138 26.9713 26.9713 k =-0.2172 0.1875 0.0000 ( 854 PWs) bands (ev): 0.1200 0.1200 2.1475 2.1475 2.1729 2.1729 7.5203 7.5203 8.8511 8.8511 17.1419 17.1419 17.3382 17.3382 18.5285 18.5285 19.0171 19.0171 19.7602 19.7602 21.2799 21.2799 22.0871 22.0871 24.3942 24.3942 26.8513 26.8513 k =-0.2222 0.1918-0.0000 ( 854 PWs) bands (ev): 0.2408 0.2408 2.2670 2.2670 2.2925 2.2925 7.6363 7.6363 8.9629 8.9629 17.1910 17.1910 17.4109 17.4109 18.3908 18.3908 18.8784 18.8784 19.6233 19.6233 21.1855 21.1855 21.9532 21.9532 24.2783 24.2783 26.7335 26.7335 k =-0.2273 0.1962 0.0000 ( 850 PWs) bands (ev): 0.3644 0.3644 2.3892 2.3892 2.4148 2.4148 7.7547 7.7547 9.0771 9.0771 17.2363 17.2363 17.4832 17.4832 18.2563 18.2563 18.7420 18.7420 19.4889 19.4889 21.0977 21.0977 21.8203 21.8203 24.1663 24.1663 26.6181 26.6181 k =-0.2323 0.2006-0.0000 ( 846 PWs) bands (ev): 0.4906 0.4906 2.5140 2.5140 2.5396 2.5396 7.8756 7.8756 9.1937 9.1937 17.2768 17.2768 17.5548 17.5548 18.1255 18.1255 18.6078 18.6078 19.3571 19.3571 21.0168 21.0168 21.6885 21.6885 24.0585 24.0585 26.5052 26.5052 k =-0.2374 0.2049 0.0000 ( 846 PWs) bands (ev): 0.6195 0.6195 2.6414 2.6414 2.6672 2.6672 7.9989 7.9989 9.3127 9.3127 17.3112 17.3112 17.6253 17.6253 17.9992 17.9992 18.4759 18.4759 19.2278 19.2278 20.9433 20.9433 21.5576 21.5576 23.9550 23.9550 26.3949 26.3949 k =-0.2424 0.2093-0.0000 ( 844 PWs) bands (ev): 0.7511 0.7511 2.7715 2.7715 2.7973 2.7973 8.1246 8.1246 9.4340 9.4340 17.3375 17.3375 17.6946 17.6946 17.8788 17.8788 18.3463 18.3463 19.1011 19.1011 20.8775 20.8775 21.4278 21.4278 23.8559 23.8559 26.2873 26.2873 k =-0.2475 0.2136-0.0000 ( 844 PWs) bands (ev): 0.8853 0.8853 2.9041 2.9041 2.9301 2.9301 8.2527 8.2527 9.5577 9.5577 17.3522 17.3522 17.7609 17.7609 17.7687 17.7687 18.2191 18.2191 18.9769 18.9769 20.8198 20.8198 21.2989 21.2989 23.7615 23.7615 26.1825 26.1825 k =-0.2525 0.2180-0.0000 ( 848 PWs) bands (ev): 1.0222 1.0222 3.0394 3.0394 3.0655 3.0655 8.3831 8.3831 9.6837 9.6837 17.3483 17.3483 17.6714 17.6714 17.8277 17.8277 18.0944 18.0944 18.8554 18.8554 20.7703 20.7703 21.1710 21.1710 23.6719 23.6719 26.0807 26.0807 k =-0.2576 0.2224 0.0000 ( 848 PWs) bands (ev): 1.1617 1.1617 3.1773 3.1773 3.2035 3.2035 8.5159 8.5159 9.8120 9.8120 17.3152 17.3152 17.6009 17.6009 17.8888 17.8888 17.9740 17.9740 18.7364 18.7364 20.7293 20.7293 21.0439 21.0439 23.5874 23.5874 25.9820 25.9820 k =-0.2626 0.2267-0.0000 ( 848 PWs) bands (ev): 1.3039 1.3039 3.3177 3.3177 3.3440 3.3440 8.6511 8.6511 9.9426 9.9426 17.2490 17.2490 17.5598 17.5598 17.8472 17.8472 17.9558 17.9558 18.6201 18.6201 20.6969 20.6969 20.9175 20.9175 23.5081 23.5081 25.8865 25.8865 k =-0.2677 0.2311 0.0000 ( 848 PWs) bands (ev): 1.4486 1.4486 3.4607 3.4607 3.4872 3.4872 8.7885 8.7885 10.0754 10.0754 17.1601 17.1601 17.5370 17.5370 17.7306 17.7306 18.0118 18.0118 18.5064 18.5064 20.6728 20.6728 20.7919 20.7919 23.4342 23.4342 25.7945 25.7945 k =-0.2727 0.2354-0.0000 ( 848 PWs) bands (ev): 1.5960 1.5960 3.6063 3.6063 3.6329 3.6329 8.9282 8.9282 10.2104 10.2104 17.0609 17.0609 17.5199 17.5199 17.6155 17.6155 18.0654 18.0654 18.3954 18.3954 20.6551 20.6551 20.6686 20.6686 23.3657 23.3657 25.7062 25.7062 k =-0.2778 0.2398 0.0000 ( 852 PWs) bands (ev): 1.7460 1.7460 3.7544 3.7544 3.7812 3.7812 9.0702 9.0702 10.3476 10.3476 16.9578 16.9578 17.4909 17.4909 17.5138 17.5138 18.1150 18.1150 18.2874 18.2874 20.5417 20.5417 20.6492 20.6492 23.3028 23.3028 25.6216 25.6216 k =-0.2828 0.2442-0.0000 ( 852 PWs) bands (ev): 1.8986 1.8986 3.9050 3.9050 3.9320 3.9320 9.2144 9.2144 10.4870 10.4870 16.8540 16.8540 17.3872 17.3872 17.4857 17.4857 18.1543 18.1543 18.1880 18.1880 20.4173 20.4173 20.6480 20.6480 23.2454 23.2454 25.4577 25.4577 k =-0.2879 0.2485 0.0000 ( 848 PWs) bands (ev): 2.0538 2.0538 4.0582 4.0582 4.0854 4.0854 9.3607 9.3607 10.6284 10.6284 16.7509 16.7509 17.2781 17.2781 17.4607 17.4607 18.0756 18.0756 18.2044 18.2044 20.2929 20.2929 20.6531 20.6531 23.1934 23.1934 25.1447 25.1447 k =-0.2929 0.2529-0.0000 ( 846 PWs) bands (ev): 2.2115 2.2115 4.2139 4.2139 4.2412 4.2412 9.5093 9.5093 10.7720 10.7720 16.6490 16.6490 17.1708 17.1708 17.4313 17.4313 17.9758 17.9758 18.2393 18.2393 20.1684 20.1684 20.6634 20.6634 23.1466 23.1466 24.8328 24.8328 k =-0.2980 0.2572 0.0000 ( 846 PWs) bands (ev): 2.3718 2.3718 4.3721 4.3721 4.3996 4.3996 9.6599 9.6599 10.9175 10.9175 16.5490 16.5490 17.0654 17.0654 17.3973 17.3973 17.8783 17.8783 18.2689 18.2689 20.0434 20.0434 20.6778 20.6778 23.1047 23.1047 24.5234 24.5234 k =-0.3030 0.2616-0.0000 ( 842 PWs) bands (ev): 2.5347 2.5347 4.5327 4.5327 4.5605 4.5605 9.8126 9.8126 11.0650 11.0650 16.4509 16.4509 16.9621 16.9621 17.3589 17.3589 17.7833 17.7833 18.2925 18.2925 19.9177 19.9177 20.6949 20.6949 23.0668 23.0668 24.2172 24.2172 k =-0.3081 0.2660 0.0000 ( 842 PWs) bands (ev): 2.7001 2.7001 4.6959 4.6959 4.7239 4.7239 9.9673 9.9673 11.2144 11.2144 16.3549 16.3549 16.8607 16.8607 17.3162 17.3162 17.6911 17.6911 18.3096 18.3096 19.7908 19.7908 20.7131 20.7131 23.0321 23.0321 23.9152 23.9152 k =-0.3131 0.2703-0.0000 ( 842 PWs) bands (ev): 2.8680 2.8680 4.8614 4.8614 4.8897 4.8897 10.1240 10.1240 11.3657 11.3657 16.2612 16.2612 16.7612 16.7612 17.2698 17.2698 17.6016 17.6016 18.3199 18.3199 19.6625 19.6625 20.7310 20.7310 22.9992 22.9992 23.6183 23.6183 k =-0.3182 0.2747 0.0000 ( 846 PWs) bands (ev): 3.0384 3.0384 5.0294 5.0294 5.0580 5.0580 10.2827 10.2827 11.5187 11.5187 16.1698 16.1698 16.6636 16.6636 17.2200 17.2200 17.5150 17.5150 18.3229 18.3229 19.5322 19.5322 20.7466 20.7466 22.9660 22.9660 23.3271 23.3271 k =-0.3232 0.2790-0.0000 ( 852 PWs) bands (ev): 3.2113 3.2113 5.1998 5.1998 5.2286 5.2286 10.4433 10.4433 11.6734 11.6734 16.0808 16.0808 16.5678 16.5678 17.1671 17.1671 17.4312 17.4312 18.3183 18.3183 19.3994 19.3994 20.7580 20.7580 22.9301 22.9301 23.0426 23.0426 k =-0.3283 0.2834 0.0000 ( 850 PWs) bands (ev): 3.3867 3.3867 5.3727 5.3727 5.4018 5.4018 10.6057 10.6057 11.8297 11.8297 15.9941 15.9941 16.4736 16.4736 17.1115 17.1115 17.3504 17.3504 18.3059 18.3059 19.2637 19.2637 20.7631 20.7631 22.7655 22.7655 22.8878 22.8878 k =-0.3333 0.2878-0.0000 ( 846 PWs) bands (ev): 3.5645 3.5645 5.5478 5.5478 5.5772 5.5772 10.7698 10.7698 11.9875 11.9875 15.9098 15.9098 16.3811 16.3811 17.0535 17.0535 17.2726 17.2726 18.2855 18.2855 19.1244 19.1244 20.7595 20.7595 22.4967 22.4967 22.8351 22.8351 k =-0.3384 0.2921 0.0000 ( 846 PWs) bands (ev): 3.7448 3.7448 5.7253 5.7253 5.7551 5.7551 10.9357 10.9357 12.1467 12.1467 15.8280 15.8280 16.2899 16.2899 16.9933 16.9933 17.1978 17.1978 18.2567 18.2567 18.9809 18.9809 20.7450 20.7450 22.2372 22.2372 22.7671 22.7671 k =-0.3434 0.2965-0.0000 ( 852 PWs) bands (ev): 3.9274 3.9274 5.9052 5.9052 5.9353 5.9353 11.1031 11.1031 12.3071 12.3071 15.7485 15.7485 16.1999 16.1999 16.9312 16.9312 17.1261 17.1261 18.2193 18.2193 18.8326 18.8326 20.7172 20.7172 21.9877 21.9877 22.6796 22.6796 k =-0.3485 0.3008 0.0000 ( 848 PWs) bands (ev): 4.1125 4.1125 6.0873 6.0873 6.1178 6.1178 11.2721 11.2721 12.4685 12.4685 15.6716 15.6716 16.1109 16.1109 16.8671 16.8671 17.0577 17.0577 18.1731 18.1731 18.6792 18.6792 20.6737 20.6737 21.7491 21.7491 22.5702 22.5702 k =-0.3535 0.3052-0.0000 ( 856 PWs) bands (ev): 4.3000 4.3000 6.2716 6.2716 6.3026 6.3026 11.4426 11.4426 12.6309 12.6309 15.5970 15.5970 16.0227 16.0227 16.8013 16.8013 16.9927 16.9927 18.1177 18.1177 18.5201 18.5201 20.6127 20.6127 21.5222 21.5222 22.4392 22.4392 k =-0.3586 0.3096 0.0000 ( 858 PWs) bands (ev): 4.4897 4.4897 6.4582 6.4582 6.4897 6.4897 11.6144 11.6144 12.7939 12.7939 15.5249 15.5249 15.9349 15.9349 16.7337 16.7337 16.9311 16.9311 18.0530 18.0530 18.3552 18.3552 20.5329 20.5329 21.3076 21.3076 22.2897 22.2897 k =-0.3636 0.3139-0.0000 ( 858 PWs) bands (ev): 4.6818 4.6818 6.6470 6.6470 6.6790 6.6790 11.7874 11.7874 12.9574 12.9574 15.4552 15.4552 15.8470 15.8470 16.6642 16.6642 16.8732 16.8732 17.9787 17.9787 18.1847 18.1847 20.4338 20.4338 21.1059 21.1059 22.1266 22.1266 k =-0.3687 0.3183 0.0000 ( 858 PWs) bands (ev): 4.8762 4.8762 6.8380 6.8380 6.8704 6.8704 11.9615 11.9615 13.1209 13.1209 15.3880 15.3880 15.7585 15.7585 16.5928 16.5928 16.8192 16.8192 17.8942 17.8942 18.0089 18.0089 20.3159 20.3159 20.9171 20.9171 21.9550 21.9550 k =-0.3737 0.3226-0.0000 ( 858 PWs) bands (ev): 5.0728 5.0728 7.0310 7.0310 7.0640 7.0640 12.1366 12.1366 13.2843 13.2843 15.3232 15.3232 15.6688 15.6688 16.5192 16.5192 16.7693 16.7693 17.7981 17.7981 17.8298 17.8298 20.1806 20.1806 20.7415 20.7415 21.7797 21.7797 k =-0.3788 0.3270 0.0000 ( 862 PWs) bands (ev): 5.2717 5.2717 7.2261 7.2261 7.2597 7.2597 12.3125 12.3125 13.4470 13.4470 15.2608 15.2608 15.5770 15.5770 16.4431 16.4431 16.7239 16.7239 17.6422 17.6422 17.6966 17.6966 20.0302 20.0302 20.5786 20.5786 21.6047 21.6047 k =-0.3838 0.3314-0.0000 ( 862 PWs) bands (ev): 5.4727 5.4727 7.4232 7.4232 7.4575 7.4575 12.4890 12.4890 13.6086 13.6086 15.2008 15.2008 15.4821 15.4821 16.3643 16.3643 16.6834 16.6834 17.4567 17.4567 17.5803 17.5803 19.8675 19.8675 20.4283 20.4283 21.4330 21.4330 k =-0.3889 0.3357 0.0000 ( 866 PWs) bands (ev): 5.6758 5.6758 7.6223 7.6223 7.6573 7.6573 12.6660 12.6660 13.7684 13.7684 15.1432 15.1432 15.3829 15.3829 16.2821 16.2821 16.6482 16.6482 17.2705 17.2705 17.4538 17.4538 19.6957 19.6957 20.2898 20.2898 21.2671 21.2671 k =-0.3939 0.3401-0.0000 ( 864 PWs) bands (ev): 5.8809 5.8809 7.8232 7.8232 7.8589 7.8589 12.8431 12.8431 13.9257 13.9257 15.0878 15.0878 15.2778 15.2778 16.1963 16.1963 16.6189 16.6189 17.0865 17.0865 17.3167 17.3167 19.5178 19.5178 20.1626 20.1626 21.1086 21.1086 k =-0.3990 0.3444 0.0000 ( 868 PWs) bands (ev): 6.0880 6.0880 8.0259 8.0259 8.0625 8.0625 13.0202 13.0202 14.0797 14.0797 15.0346 15.0346 15.1654 15.1654 16.1061 16.1061 16.5962 16.5962 16.9071 16.9071 17.1691 17.1691 19.3367 19.3367 20.0458 20.0458 20.9588 20.9588 k =-0.4040 0.3488-0.0000 ( 872 PWs) bands (ev): 6.2971 6.2971 8.2303 8.2303 8.2677 8.2677 13.1969 13.1969 14.2292 14.2292 14.9829 14.9829 15.0443 15.0443 16.0110 16.0110 16.5809 16.5809 16.7351 16.7351 17.0114 17.0114 19.1554 19.1554 19.9388 19.9388 20.8184 20.8184 k =-0.4091 0.3532 0.0000 ( 872 PWs) bands (ev): 6.5080 6.5080 8.4364 8.4364 8.4747 8.4747 13.3729 13.3729 14.3730 14.3730 14.9057 14.9057 14.9398 14.9398 15.9103 15.9103 16.5724 16.5724 16.5745 16.5745 16.8443 16.8443 18.9762 18.9762 19.8408 19.8408 20.6880 20.6880 k =-0.4141 0.3575-0.0000 ( 876 PWs) bands (ev): 6.7206 6.7206 8.6439 8.6439 8.6832 8.6832 13.5478 13.5478 14.5097 14.5097 14.7628 14.7628 14.8905 14.8905 15.8035 15.8035 16.4228 16.4228 16.5752 16.5752 16.6696 16.6696 18.8016 18.8016 19.7511 19.7511 20.5676 20.5676 k =-0.4192 0.3619 0.0000 ( 872 PWs) bands (ev): 6.9347 6.9347 8.8528 8.8528 8.8931 8.8931 13.7211 13.7211 14.6044 14.6044 14.6378 14.6378 14.8454 14.8454 15.6901 15.6901 16.2863 16.2863 16.4800 16.4800 16.5941 16.5941 18.6336 18.6336 19.6691 19.6691 20.4571 20.4571 k =-0.4242 0.3662-0.0000 ( 872 PWs) bands (ev): 7.1504 7.1504 9.0629 9.0629 9.1043 9.1043 13.8924 13.8924 14.4327 14.4327 14.7555 14.7555 14.8020 14.8020 15.5698 15.5698 16.1640 16.1640 16.2897 16.2897 16.6187 16.6187 18.4738 18.4738 19.5942 19.5942 20.3563 20.3563 k =-0.4293 0.3706 0.0000 ( 876 PWs) bands (ev): 7.3673 7.3673 9.2739 9.2739 9.3165 9.3165 14.0610 14.0610 14.2485 14.2485 14.7594 14.7594 14.8618 14.8618 15.4427 15.4427 16.0538 16.0538 16.0939 16.0939 16.6576 16.6576 18.3238 18.3238 19.5258 19.5258 20.2647 20.2647 k =-0.4343 0.3750-0.0000 ( 876 PWs) bands (ev): 7.5852 7.5852 9.4857 9.4857 9.5295 9.5295 14.0533 14.0533 14.2263 14.2263 14.7169 14.7169 14.9552 14.9552 15.3098 15.3098 15.8855 15.8855 15.9643 15.9643 16.7104 16.7104 18.1845 18.1845 19.4637 19.4637 20.1820 20.1820 k =-0.4394 0.3793 0.0000 ( 872 PWs) bands (ev): 7.8038 7.8038 9.6980 9.6980 9.7429 9.7429 13.8493 13.8493 14.3874 14.3874 14.6722 14.6722 15.0352 15.0352 15.1732 15.1732 15.6786 15.6786 15.8812 15.8812 16.7768 16.7768 18.0568 18.0568 19.4073 19.4073 20.1076 20.1076 k =-0.4444 0.3837-0.0000 ( 872 PWs) bands (ev): 8.0228 8.0228 9.9103 9.9103 9.9564 9.9564 13.6382 13.6382 14.5430 14.5430 14.6217 14.6217 15.0374 15.0374 15.1021 15.1021 15.4679 15.4679 15.8098 15.8098 16.8558 16.8558 17.9411 17.9411 19.3563 19.3563 20.0411 20.0411 k =-0.4495 0.3880 0.0000 ( 876 PWs) bands (ev): 8.2417 8.2417 10.1221 10.1221 10.1694 10.1694 13.4222 13.4222 14.5553 14.5553 14.6938 14.6938 14.9115 14.9115 15.1559 15.1559 15.2560 15.2560 15.7483 15.7483 16.9458 16.9458 17.8375 17.8375 19.3105 19.3105 19.9819 19.9819 k =-0.4545 0.3924-0.0000 ( 876 PWs) bands (ev): 8.4598 8.4598 10.3329 10.3329 10.3813 10.3813 13.2033 13.2033 14.4633 14.4633 14.8069 14.8069 14.8377 14.8377 15.0405 15.0405 15.2019 15.2019 15.6954 15.6954 17.0443 17.0443 17.7458 17.7458 19.2696 19.2696 19.9296 19.9296 k =-0.4596 0.3968 0.0000 ( 880 PWs) bands (ev): 8.6761 8.6761 10.5416 10.5416 10.5909 10.5909 12.9837 12.9837 14.3386 14.3386 14.7356 14.7356 14.8285 14.8285 14.9704 14.9704 15.2360 15.2360 15.6501 15.6501 17.1481 17.1481 17.6657 17.6657 19.2333 19.2333 19.8839 19.8839 k =-0.4646 0.4011-0.0000 ( 884 PWs) bands (ev): 8.8893 8.8893 10.7471 10.7471 10.7969 10.7969 12.7657 12.7657 14.1894 14.1894 14.6189 14.6189 14.6875 14.6875 15.0938 15.0938 15.2629 15.2629 15.6117 15.6117 17.2539 17.2539 17.5969 17.5969 19.2016 19.2016 19.8444 19.8444 k =-0.4697 0.4055 0.0000 ( 880 PWs) bands (ev): 9.0975 9.0975 10.9476 10.9476 10.9973 10.9973 12.5520 12.5520 14.0276 14.0276 14.4147 14.4147 14.6542 14.6542 15.2043 15.2043 15.2849 15.2849 15.5796 15.5796 17.3576 17.3576 17.5393 17.5393 19.1744 19.1744 19.8107 19.8107 k =-0.4747 0.4098 0.0000 ( 880 PWs) bands (ev): 9.2977 9.2977 11.1402 11.1402 11.1892 11.1892 12.3462 12.3462 13.8624 13.8624 14.2190 14.2190 14.6301 14.6301 15.2837 15.2837 15.3195 15.3195 15.5531 15.5531 17.4501 17.4501 17.4975 17.4975 19.1514 19.1514 19.7826 19.7826 k =-0.4798 0.4142-0.0000 ( 880 PWs) bands (ev): 9.4854 9.4854 11.3207 11.3207 11.3678 11.3678 12.1533 12.1533 13.7015 13.7015 14.0368 14.0368 14.6123 14.6123 15.3036 15.3036 15.3943 15.3943 15.5321 15.5321 17.4468 17.4468 17.5515 17.5515 19.1326 19.1326 19.7599 19.7599 k =-0.4848 0.4186-0.0000 ( 880 PWs) bands (ev): 9.6535 9.6535 11.4826 11.4826 11.5265 11.5265 11.9808 11.9808 13.5535 13.5535 13.8751 13.8751 14.5993 14.5993 15.3127 15.3127 15.4597 15.4597 15.5168 15.5168 17.4186 17.4186 17.6258 17.6258 19.1181 19.1181 19.7425 19.7425 k =-0.4899 0.4229 0.0000 ( 876 PWs) bands (ev): 9.7913 9.7913 11.6155 11.6155 11.6552 11.6552 11.8398 11.8398 13.4297 13.4297 13.7441 13.7441 14.5904 14.5904 15.3182 15.3182 15.4974 15.4974 15.5166 15.5166 17.3980 17.3980 17.6833 17.6833 19.1077 19.1077 19.7301 19.7301 k =-0.4949 0.4273-0.0000 ( 878 PWs) bands (ev): 9.8841 9.8841 11.7050 11.7050 11.7410 11.7410 11.7454 11.7454 13.3450 13.3450 13.6569 13.6569 14.5852 14.5852 15.3213 15.3213 15.4952 15.4952 15.5419 15.5419 17.3857 17.3857 17.7196 17.7196 19.1015 19.1015 19.7227 19.7227 k =-0.5000 0.4316 0.0000 ( 878 PWs) bands (ev): 9.9173 9.9173 11.7102 11.7102 11.7385 11.7385 11.7715 11.7715 13.3145 13.3145 13.6260 13.6260 14.5835 14.5835 15.3223 15.3223 15.4933 15.4933 15.5516 15.5516 17.3816 17.3816 17.7320 17.7320 19.0994 19.0994 19.7202 19.7202 k =-0.5000 0.4316 0.0000 ( 878 PWs) bands (ev): 9.9173 9.9173 11.7102 11.7102 11.7385 11.7385 11.7715 11.7715 13.3145 13.3145 13.6260 13.6260 14.5835 14.5835 15.3223 15.3223 15.4933 15.4933 15.5516 15.5516 17.3816 17.3816 17.7320 17.7320 19.0994 19.0994 19.7202 19.7202 k =-0.4958 0.4366-0.0000 ( 878 PWs) bands (ev): 9.9185 9.9185 11.7082 11.7082 11.7397 11.7397 11.7727 11.7727 13.3096 13.3096 13.6241 13.6241 14.5578 14.5578 15.3112 15.3112 15.5001 15.5001 15.5527 15.5527 17.3811 17.3811 17.7249 17.7249 19.1215 19.1215 19.7412 19.7412 k =-0.4915 0.4415-0.0000 ( 882 PWs) bands (ev): 9.9222 9.9222 11.7018 11.7018 11.7432 11.7432 11.7764 11.7764 13.2946 13.2946 13.6180 13.6180 14.4871 14.4871 15.2785 15.2785 15.5140 15.5140 15.5561 15.5561 17.3823 17.3823 17.7045 17.7045 19.1853 19.1853 19.8027 19.8027 k =-0.4873 0.4464-0.0000 ( 882 PWs) bands (ev): 9.9284 9.9284 11.6905 11.6905 11.7492 11.7492 11.7825 11.7825 13.2688 13.2688 13.6073 13.6073 14.3853 14.3853 15.2259 15.2259 15.5216 15.5216 15.5618 15.5618 17.3907 17.3907 17.6734 17.6734 19.2845 19.2845 19.9009 19.9009 k =-0.4830 0.4513-0.0000 ( 882 PWs) bands (ev): 9.9370 9.9370 11.6734 11.6734 11.7577 11.7577 11.7911 11.7911 13.2310 13.2310 13.5910 13.5910 14.2660 14.2660 15.1561 15.1561 15.5117 15.5117 15.5697 15.5697 17.4113 17.4113 17.6350 17.6350 19.4112 19.4112 20.0306 20.0306 k =-0.4788 0.4562-0.0000 ( 878 PWs) bands (ev): 9.9481 9.9481 11.6492 11.6492 11.7686 11.7686 11.8021 11.8021 13.1804 13.1804 13.5677 13.5677 14.1399 14.1399 15.0729 15.0729 15.4794 15.4794 15.5799 15.5799 17.4449 17.4449 17.5925 17.5925 19.5576 19.5576 20.1866 20.1866 k =-0.4745 0.4612-0.0000 ( 878 PWs) bands (ev): 9.9617 9.9617 11.6162 11.6162 11.7821 11.7821 11.8156 11.8156 13.1161 13.1161 13.5354 13.5354 14.0143 14.0143 14.9808 14.9808 15.4259 15.4259 15.5925 15.5925 17.4850 17.4850 17.5505 17.5505 19.7170 19.7170 20.3639 20.3639 k =-0.4703 0.4661-0.0000 ( 882 PWs) bands (ev): 9.9777 9.9777 11.5723 11.5723 11.7980 11.7980 11.8315 11.8315 13.0390 13.0390 13.4916 13.4916 13.8936 13.8936 14.8849 14.8849 15.3565 15.3565 15.6074 15.6074 17.4871 17.4871 17.5473 17.5473 19.8843 19.8843 20.5585 20.5585 k =-0.4660 0.4710-0.0000 ( 878 PWs) bands (ev): 9.9963 9.9963 11.5150 11.5150 11.8163 11.8163 11.8499 11.8499 12.9511 12.9511 13.4336 13.4336 13.7792 13.7792 14.7905 14.7905 15.2780 15.2780 15.6246 15.6246 17.4431 17.4431 17.5831 17.5831 20.0560 20.0560 20.7670 20.7670 k =-0.4618 0.4759-0.0000 ( 878 PWs) bands (ev): 10.0172 10.0172 11.4417 11.4417 11.8371 11.8371 11.8707 11.8707 12.8558 12.8558 13.3586 13.3586 13.6709 13.6709 14.7026 14.7026 15.1971 15.1971 15.6442 15.6442 17.3942 17.3942 17.6088 17.6088 20.2305 20.2305 20.7825 20.7825 k =-0.4575 0.4808-0.0000 ( 875 PWs) bands (ev): 10.0407 10.0407 11.3504 11.3504 11.8604 11.8604 11.8940 11.8940 12.7567 12.7567 13.2645 13.2645 13.5675 13.5675 14.6255 14.6255 15.1192 15.1192 15.6661 15.6661 17.3434 17.3434 17.6146 17.6146 20.4079 20.4079 20.8085 20.8085 k =-0.4533 0.4857-0.0000 ( 877 PWs) bands (ev): 10.0666 10.0666 11.2398 11.2398 11.8861 11.8861 11.9197 11.9197 12.6559 12.6559 13.1505 13.1505 13.4685 13.4685 14.5615 14.5615 15.0487 15.0487 15.6903 15.6903 17.2908 17.2908 17.5964 17.5964 20.5898 20.5898 20.8372 20.8372 k =-0.4491 0.4907-0.0000 ( 877 PWs) bands (ev): 10.0950 10.0950 11.1099 11.1099 11.9143 11.9143 11.9478 11.9478 12.5532 12.5532 13.0172 13.0172 13.3750 13.3750 14.5114 14.5114 14.9880 14.9880 15.7168 15.7168 17.2361 17.2361 17.5526 17.5526 20.7779 20.7779 20.8687 20.8687 k =-0.4448 0.4956-0.0000 ( 877 PWs) bands (ev): 10.1258 10.1258 10.9619 10.9619 11.9449 11.9449 11.9784 11.9784 12.4461 12.4461 12.8666 12.8666 13.2896 13.2896 14.4746 14.4746 14.9387 14.9387 15.7457 15.7457 17.1791 17.1791 17.4842 17.4842 20.9029 20.9029 20.9730 20.9730 k =-0.4406 0.5005-0.0000 ( 877 PWs) bands (ev): 10.1591 10.1591 10.7981 10.7981 11.9779 11.9779 12.0113 12.0113 12.3307 12.3307 12.7014 12.7014 13.2158 13.2158 14.4492 14.4492 14.9007 14.9007 15.7768 15.7768 17.1194 17.1194 17.3933 17.3933 20.9399 20.9399 21.1734 21.1734 k =-0.4363 0.5054-0.0000 ( 879 PWs) bands (ev): 10.1948 10.1948 10.6211 10.6211 12.0133 12.0133 12.0464 12.0464 12.2039 12.2039 12.5243 12.5243 13.1567 13.1567 14.4334 14.4334 14.8737 14.8737 15.8103 15.8103 17.0568 17.0568 17.2831 17.2831 20.9795 20.9795 21.3735 21.3735 k =-0.4363 0.5054-0.0000 ( 879 PWs) bands (ev): 10.1948 10.1948 10.6211 10.6211 12.0133 12.0133 12.0464 12.0464 12.2039 12.2039 12.5243 12.5243 13.1567 13.1567 14.4334 14.4334 14.8737 14.8737 15.8103 15.8103 17.0568 17.0568 17.2831 17.2831 20.9795 20.9795 21.3735 21.3735 k =-0.4363 0.5054 0.0064 ( 879 PWs) bands (ev): 10.1960 10.1960 10.6222 10.6222 11.9396 11.9396 12.1219 12.1219 12.1874 12.1874 12.5400 12.5400 13.1606 13.1606 14.4214 14.4214 14.8852 14.8852 15.8039 15.8039 17.0368 17.0368 17.2983 17.2983 20.9884 20.9884 21.3688 21.3688 k =-0.4363 0.5054 0.0128 ( 877 PWs) bands (ev): 10.1995 10.1995 10.6257 10.6257 11.8536 11.8536 12.1439 12.1439 12.2148 12.2148 12.5794 12.5794 13.1726 13.1726 14.3887 14.3887 14.9162 14.9162 15.7850 15.7850 16.9883 16.9883 17.3327 17.3327 21.0147 21.0147 21.3553 21.3553 k =-0.4363 0.5054 0.0192 ( 875 PWs) bands (ev): 10.2053 10.2053 10.6314 10.6314 11.7691 11.7691 12.0876 12.0876 12.3090 12.3090 12.6302 12.6302 13.1929 13.1929 14.3421 14.3421 14.9597 14.9597 15.7539 15.7539 16.9263 16.9263 17.3717 17.3717 21.0581 21.0581 21.3346 21.3346 k =-0.4363 0.5054 0.0256 ( 875 PWs) bands (ev): 10.2135 10.2135 10.6395 10.6395 11.6865 11.6865 12.0245 12.0245 12.4054 12.4054 12.6845 12.6845 13.2221 13.2221 14.2874 14.2874 15.0092 15.0092 15.7113 15.7113 16.8586 16.8586 17.4079 17.4079 21.1180 21.1180 21.3086 21.3086 k =-0.4363 0.5054 0.0320 ( 873 PWs) bands (ev): 10.2240 10.2240 10.6499 10.6499 11.6060 11.6060 11.9584 11.9584 12.5037 12.5037 12.7380 12.7380 13.2608 13.2608 14.2282 14.2282 15.0600 15.0600 15.6578 15.6578 16.7897 16.7897 17.4382 17.4382 21.1936 21.1936 21.2800 21.2800 k =-0.4363 0.5054 0.0385 ( 871 PWs) bands (ev): 10.2368 10.2368 10.6625 10.6625 11.5276 11.5276 11.8912 11.8912 12.6038 12.6038 12.7887 12.7887 13.3089 13.3089 14.1669 14.1669 15.1085 15.1085 15.5945 15.5945 16.7227 16.7227 17.4608 17.4608 21.2509 21.2509 21.2840 21.2840 k =-0.4363 0.5054 0.0449 ( 869 PWs) bands (ev): 10.2519 10.2519 10.6775 10.6775 11.4513 11.4513 11.8239 11.8239 12.7056 12.7056 12.8359 12.8359 13.3662 13.3662 14.1049 14.1049 15.1515 15.1515 15.5224 15.5224 16.6606 16.6606 17.4747 17.4747 21.2234 21.2234 21.3883 21.3883 k =-0.4363 0.5054 0.0513 ( 869 PWs) bands (ev): 10.2694 10.2694 10.6947 10.6947 11.3771 11.3771 11.7571 11.7571 12.8085 12.8085 12.8800 12.8800 13.4315 13.4315 14.0433 14.0433 15.1859 15.1859 15.4424 15.4424 16.6063 16.6063 17.4794 17.4794 21.1990 21.1990 21.5054 21.5054 k =-0.4363 0.5054 0.0577 ( 869 PWs) bands (ev): 10.2892 10.2892 10.7143 10.7143 11.3051 11.3051 11.6914 11.6914 12.9064 12.9064 12.9279 12.9279 13.5033 13.5033 13.9832 13.9832 15.2082 15.2082 15.3558 15.3558 16.5632 16.5632 17.4748 17.4748 21.1790 21.1790 21.6343 21.6343 k =-0.4363 0.5054 0.0641 ( 873 PWs) bands (ev): 10.3113 10.3113 10.7361 10.7361 11.2353 11.2353 11.6268 11.6268 12.9554 12.9554 13.0242 13.0242 13.5787 13.5787 13.9264 13.9264 15.2139 15.2139 15.2652 15.2652 16.5339 16.5339 17.4608 17.4608 21.1640 21.1640 21.6668 21.6668 k =-0.4363 0.5054 0.0705 ( 877 PWs) bands (ev): 10.3357 10.3357 10.7601 10.7601 11.1677 11.1677 11.5637 11.5637 12.9934 12.9934 13.1317 13.1317 13.6517 13.6517 13.8784 13.8784 15.1594 15.1594 15.2132 15.2132 16.5207 16.5207 17.4378 17.4378 21.1544 21.1544 21.6320 21.6320 k =-0.4363 0.5054 0.0769 ( 876 PWs) bands (ev): 10.3624 10.3624 10.7864 10.7864 11.1023 11.1023 11.5022 11.5022 13.0303 13.0303 13.2413 13.2413 13.7004 13.7004 13.8600 13.8600 15.0590 15.0590 15.1857 15.1857 16.5243 16.5243 17.4062 17.4062 21.1504 21.1504 21.5946 21.5946 k =-0.4363 0.5054 0.0833 ( 876 PWs) bands (ev): 10.3915 10.3915 10.8150 10.8150 11.0392 11.0392 11.4424 11.4424 13.0671 13.0671 13.3523 13.3523 13.6910 13.6910 13.9045 13.9045 14.9533 14.9533 15.1434 15.1434 16.5440 16.5440 17.3668 17.3668 21.1519 21.1519 21.5557 21.5557 k =-0.4363 0.5054 0.0897 ( 871 PWs) bands (ev): 10.4228 10.4228 10.8457 10.8457 10.9783 10.9783 11.3844 11.3844 13.1045 13.1045 13.4646 13.4646 13.6492 13.6492 13.9854 13.9854 14.8444 14.8444 15.0867 15.0867 16.5777 16.5777 17.3202 17.3202 21.1586 21.1586 21.5158 21.5158 k =-0.4363 0.5054 0.0961 ( 871 PWs) bands (ev): 10.4565 10.4565 10.8782 10.8782 10.9201 10.9201 11.3282 11.3282 13.1428 13.1428 13.5773 13.5773 13.6004 13.6004 14.0775 14.0775 14.7331 14.7331 15.0181 15.0181 16.6231 16.6231 17.2673 17.2673 21.1704 21.1704 21.4758 21.4758 k =-0.4363 0.5054 0.1025 ( 871 PWs) bands (ev): 10.4925 10.4925 10.8621 10.8621 10.9149 10.9149 11.2740 11.2740 13.1821 13.1821 13.5486 13.5486 13.6926 13.6926 14.1740 14.1740 14.6199 14.6199 14.9400 14.9400 16.6776 16.6776 17.2090 17.2090 21.1868 21.1868 21.4361 21.4361 k =-0.4363 0.5054 0.1089 ( 873 PWs) bands (ev): 10.5308 10.5308 10.8083 10.8083 10.9520 10.9520 11.2218 11.2218 13.2228 13.2228 13.4981 13.4981 13.8078 13.8078 14.2724 14.2724 14.5055 14.5055 14.8546 14.8546 16.7386 16.7386 17.1464 17.1464 21.2075 21.2075 21.3972 21.3972 k =-0.4363 0.5054 0.1154 ( 873 PWs) bands (ev): 10.5713 10.5713 10.7564 10.7564 10.9916 10.9916 11.1715 11.1715 13.2649 13.2649 13.4486 13.4486 13.9236 13.9236 14.3675 14.3675 14.3944 14.3944 14.7637 14.7637 16.8042 16.8042 17.0803 17.0803 21.2319 21.2319 21.3598 21.3598 k =-0.4363 0.5054 0.1218 ( 870 PWs) bands (ev): 10.6142 10.6142 10.7067 10.7067 11.0334 11.0334 11.1234 11.1234 13.3086 13.3086 13.4005 13.4005 14.0399 14.0399 14.2726 14.2726 14.4729 14.4729 14.6690 14.6690 16.8726 16.8726 17.0119 17.0119 21.2598 21.2598 21.3241 21.3241 k =-0.4363 0.5054 0.1282 ( 870 PWs) bands (ev): 10.6593 10.6593 10.6593 10.6593 11.0773 11.0773 11.0773 11.0773 13.3538 13.3538 13.3538 13.3538 14.1563 14.1563 14.1563 14.1563 14.5717 14.5717 14.5717 14.5717 16.9423 16.9423 16.9423 16.9423 21.2906 21.2906 21.2906 21.2906 k =-0.4363 0.5054 0.1282 ( 870 PWs) bands (ev): 10.6593 10.6593 10.6593 10.6593 11.0773 11.0773 11.0773 11.0773 13.3538 13.3538 13.3538 13.3538 14.1563 14.1563 14.1563 14.1563 14.5717 14.5717 14.5717 14.5717 16.9423 16.9423 16.9423 16.9423 21.2906 21.2906 21.2906 21.2906 k =-0.4406 0.5005 0.1282 ( 870 PWs) bands (ev): 10.6237 10.6237 10.6237 10.6237 11.2515 11.2515 11.2515 11.2515 13.3844 13.3844 13.3844 13.3844 14.1217 14.1217 14.1217 14.1217 14.7019 14.7019 14.7019 14.7019 16.9773 16.9773 16.9773 16.9773 21.0967 21.0967 21.0967 21.0967 k =-0.4448 0.4956 0.1282 ( 866 PWs) bands (ev): 10.5905 10.5905 10.5905 10.5905 11.4127 11.4127 11.4127 11.4127 13.4274 13.4274 13.4274 13.4274 14.0894 14.0894 14.0894 14.0894 14.8224 14.8224 14.8224 14.8224 17.0163 17.0163 17.0163 17.0163 20.9020 20.9020 20.9020 20.9020 k =-0.4491 0.4907 0.1282 ( 864 PWs) bands (ev): 10.5597 10.5597 10.5597 10.5597 11.5587 11.5587 11.5587 11.5587 13.4849 13.4849 13.4849 13.4849 14.0594 14.0594 14.0594 14.0594 14.9317 14.9317 14.9317 14.9317 17.0579 17.0579 17.0579 17.0579 20.7130 20.7130 20.7130 20.7130 k =-0.4533 0.4857 0.1282 ( 864 PWs) bands (ev): 10.5313 10.5313 10.5313 10.5313 11.6875 11.6875 11.6875 11.6875 13.5586 13.5586 13.5586 13.5586 14.0318 14.0318 14.0318 14.0318 15.0291 15.0291 15.0291 15.0291 17.0996 17.0996 17.0996 17.0996 20.5351 20.5351 20.5351 20.5351 k =-0.4575 0.4808 0.1282 ( 864 PWs) bands (ev): 10.5055 10.5055 10.5055 10.5055 11.7980 11.7980 11.7980 11.7980 13.6487 13.6487 13.6487 13.6487 14.0066 14.0066 14.0066 14.0066 15.1142 15.1142 15.1142 15.1142 17.1382 17.1382 17.1382 17.1382 20.3740 20.3740 20.3740 20.3740 k =-0.4618 0.4759 0.1282 ( 858 PWs) bands (ev): 10.4821 10.4821 10.4821 10.4821 11.8900 11.8900 11.8900 11.8900 13.7545 13.7545 13.7545 13.7545 13.9840 13.9840 13.9840 13.9840 15.1871 15.1871 15.1871 15.1871 17.1696 17.1696 17.1696 17.1696 20.2354 20.2354 20.2354 20.2354 k =-0.4660 0.4710 0.1282 ( 858 PWs) bands (ev): 10.4611 10.4611 10.4611 10.4611 11.9646 11.9646 11.9646 11.9646 13.8728 13.8728 13.8728 13.8728 13.9642 13.9642 13.9642 13.9642 15.2483 15.2483 15.2483 15.2483 17.1896 17.1896 17.1896 17.1896 20.1244 20.1244 20.1244 20.1244 k =-0.4703 0.4661 0.1282 ( 860 PWs) bands (ev): 10.4426 10.4426 10.4426 10.4426 12.0236 12.0236 12.0236 12.0236 13.9434 13.9434 13.9434 13.9434 14.0040 14.0040 14.0040 14.0040 15.2985 15.2985 15.2985 15.2985 17.1945 17.1945 17.1945 17.1945 20.0454 20.0454 20.0454 20.0454 k =-0.4745 0.4612 0.1282 ( 864 PWs) bands (ev): 10.4266 10.4266 10.4266 10.4266 12.0694 12.0694 12.0694 12.0694 13.9290 13.9290 13.9290 13.9290 14.1358 14.1358 14.1358 14.1358 15.3385 15.3385 15.3385 15.3385 17.1825 17.1825 17.1825 17.1825 20.0007 20.0007 20.0007 20.0007 k =-0.4788 0.4562 0.1282 ( 864 PWs) bands (ev): 10.4130 10.4130 10.4130 10.4130 12.1042 12.1042 12.1042 12.1042 13.9159 13.9159 13.9159 13.9159 14.2677 14.2677 14.2677 14.2677 15.3693 15.3693 15.3693 15.3693 17.1546 17.1546 17.1546 17.1546 19.9899 19.9899 19.9899 19.9899 k =-0.4830 0.4513 0.1282 ( 864 PWs) bands (ev): 10.4019 10.4019 10.4019 10.4019 12.1299 12.1299 12.1299 12.1299 13.9052 13.9052 13.9052 13.9052 14.3922 14.3922 14.3922 14.3922 15.3917 15.3917 15.3917 15.3917 17.1149 17.1149 17.1149 17.1149 20.0089 20.0089 20.0089 20.0089 k =-0.4873 0.4464 0.1282 ( 864 PWs) bands (ev): 10.3933 10.3933 10.3933 10.3933 12.1483 12.1483 12.1483 12.1483 13.8968 13.8968 13.8968 13.8968 14.5020 14.5020 14.5020 14.5020 15.4068 15.4068 15.4068 15.4068 17.0705 17.0705 17.0705 17.0705 20.0497 20.0497 20.0497 20.0497 k =-0.4915 0.4415 0.1282 ( 864 PWs) bands (ev): 10.3871 10.3871 10.3871 10.3871 12.1606 12.1606 12.1606 12.1606 13.8908 13.8908 13.8908 13.8908 14.5892 14.5892 14.5892 14.5892 15.4156 15.4156 15.4156 15.4156 17.0297 17.0297 17.0297 17.0297 20.1003 20.1003 20.1003 20.1003 k =-0.4958 0.4366 0.1282 ( 860 PWs) bands (ev): 10.3835 10.3835 10.3835 10.3835 12.1676 12.1676 12.1676 12.1676 13.8872 13.8872 13.8872 13.8872 14.6459 14.6459 14.6459 14.6459 15.4199 15.4199 15.4199 15.4199 17.0011 17.0011 17.0011 17.0011 20.1435 20.1435 20.1435 20.1435 k =-0.5000 0.4316 0.1282 ( 860 PWs) bands (ev): 10.3822 10.3822 10.3822 10.3822 12.1699 12.1699 12.1699 12.1699 13.8860 13.8860 13.8860 13.8860 14.6656 14.6656 14.6656 14.6656 15.4211 15.4211 15.4211 15.4211 16.9908 16.9908 16.9908 16.9908 20.1610 20.1610 20.1610 20.1610 k =-0.5000 0.4316 0.1282 ( 860 PWs) bands (ev): 10.3822 10.3822 10.3822 10.3822 12.1699 12.1699 12.1699 12.1699 13.8860 13.8860 13.8860 13.8860 14.6656 14.6656 14.6656 14.6656 15.4211 15.4211 15.4211 15.4211 16.9908 16.9908 16.9908 16.9908 20.1610 20.1610 20.1610 20.1610 k =-0.5000 0.4316 0.1218 ( 862 PWs) bands (ev): 10.3370 10.3370 10.4297 10.4297 12.1257 12.1257 12.2162 12.2162 13.7690 13.7690 14.0030 14.0030 14.6293 14.6293 14.7017 14.7017 15.3601 15.3601 15.4770 15.4770 16.9922 16.9922 16.9959 16.9959 20.0967 20.0967 20.2149 20.2149 k =-0.5000 0.4316 0.1154 ( 864 PWs) bands (ev): 10.2941 10.2941 10.4795 10.4795 12.0837 12.0837 12.2646 12.2646 13.6523 13.6523 14.1197 14.1197 14.5927 14.5927 14.7378 14.7378 15.2952 15.2952 15.5268 15.5268 17.0002 17.0002 17.0074 17.0074 20.0259 20.0259 20.2542 20.2542 k =-0.5000 0.4316 0.1089 ( 872 PWs) bands (ev): 10.2535 10.2535 10.5315 10.5315 12.0438 12.0438 12.3150 12.3150 13.5360 13.5360 14.2358 14.2358 14.5554 14.5554 14.7741 14.7741 15.2276 15.2276 15.5696 15.5696 17.0145 17.0145 17.0253 17.0253 19.9515 19.9515 20.2749 20.2749 k =-0.5000 0.4316 0.1025 ( 876 PWs) bands (ev): 10.2152 10.2152 10.5858 10.5858 12.0061 12.0061 12.3675 12.3675 13.4204 13.4204 14.3509 14.3509 14.5172 14.5172 14.8105 14.8105 15.1587 15.1587 15.6048 15.6048 17.0337 17.0337 17.0502 17.0502 19.8757 19.8757 20.2758 20.2758 k =-0.5000 0.4316 0.0961 ( 878 PWs) bands (ev): 10.1792 10.1792 10.6424 10.6424 11.9707 11.9707 12.4219 12.4219 13.3056 13.3056 14.4622 14.4622 14.4798 14.4798 14.8471 14.8471 15.0898 15.0898 15.6322 15.6322 17.0565 17.0565 17.0827 17.0827 19.7999 19.7999 20.2587 20.2587 k =-0.5000 0.4316 0.0897 ( 876 PWs) bands (ev): 10.1455 10.1455 10.7012 10.7012 11.9374 11.9374 12.4782 12.4782 13.1918 13.1918 14.4345 14.4345 14.5774 14.5774 14.8840 14.8840 15.0223 15.0223 15.6518 15.6518 17.0819 17.0819 17.1224 17.1224 19.7253 19.7253 20.2275 20.2275 k =-0.5000 0.4316 0.0833 ( 872 PWs) bands (ev): 10.1141 10.1141 10.7622 10.7622 11.9064 11.9064 12.5365 12.5365 13.0791 13.0791 14.3897 14.3897 14.6868 14.6868 14.9210 14.9210 14.9575 14.9575 15.6641 15.6641 17.1093 17.1093 17.1685 17.1685 19.6525 19.6525 20.1863 20.1863 k =-0.5000 0.4316 0.0769 ( 872 PWs) bands (ev): 10.0850 10.0850 10.8255 10.8255 11.8776 11.8776 12.5965 12.5965 12.9676 12.9676 14.3412 14.3412 14.7933 14.7933 14.8967 14.8967 14.9583 14.9583 15.6695 15.6695 17.1379 17.1379 17.2199 17.2199 19.5822 19.5822 20.1389 20.1389 k =-0.5000 0.4316 0.0705 ( 872 PWs) bands (ev): 10.0582 10.0582 10.8910 10.8910 11.8511 11.8511 12.6583 12.6583 12.8575 12.8575 14.2886 14.2886 14.8403 14.8403 14.8966 14.8966 14.9958 14.9958 15.6688 15.6688 17.1673 17.1673 17.2753 17.2753 19.5150 19.5150 20.0882 20.0882 k =-0.5000 0.4316 0.0641 ( 872 PWs) bands (ev): 10.0338 10.0338 10.9587 10.9587 11.8269 11.8269 12.7216 12.7216 12.7488 12.7488 14.2317 14.2317 14.7904 14.7904 14.9933 14.9933 15.0349 15.0349 15.6629 15.6629 17.1969 17.1969 17.3331 17.3331 19.4512 19.4512 20.0364 20.0364 k =-0.5000 0.4316 0.0577 ( 868 PWs) bands (ev): 10.0116 10.0116 11.0286 11.0286 11.8049 11.8049 12.6415 12.6415 12.7867 12.7867 14.1704 14.1704 14.7465 14.7465 15.0636 15.0636 15.0953 15.0953 15.6524 15.6524 17.2261 17.2261 17.3920 17.3920 19.3913 19.3913 19.9851 19.9851 k =-0.5000 0.4316 0.0513 ( 868 PWs) bands (ev): 9.9918 9.9918 11.1007 11.1007 11.7852 11.7852 12.5359 12.5359 12.8529 12.8529 14.1052 14.1052 14.7088 14.7088 15.1032 15.1032 15.1800 15.1800 15.6382 15.6382 17.2543 17.2543 17.4505 17.4505 19.3355 19.3355 19.9358 19.9358 k =-0.5000 0.4316 0.0449 ( 868 PWs) bands (ev): 9.9744 9.9744 11.1750 11.1750 11.7679 11.7679 12.4320 12.4320 12.9203 12.9203 14.0369 14.0369 14.6769 14.6769 15.1398 15.1398 15.2603 15.2603 15.6209 15.6209 17.2809 17.2809 17.5071 17.5071 19.2844 19.2844 19.8896 19.8896 k =-0.5000 0.4316 0.0385 ( 876 PWs) bands (ev): 9.9592 9.9592 11.2514 11.2514 11.7528 11.7528 12.3298 12.3298 12.9885 12.9885 13.9663 13.9663 14.6505 14.6505 15.1753 15.1753 15.3329 15.3329 15.6011 15.6011 17.3055 17.3055 17.5603 17.5603 19.2384 19.2384 19.8475 19.8475 k =-0.5000 0.4316 0.0320 ( 876 PWs) bands (ev): 9.9464 9.9464 11.3299 11.3299 11.7400 11.7400 12.2293 12.2293 13.0569 13.0569 13.8947 13.8947 14.6291 14.6291 15.2095 15.2095 15.3967 15.3967 15.5797 15.5797 17.3274 17.3274 17.6087 17.6087 19.1980 19.1980 19.8103 19.8103 k =-0.5000 0.4316 0.0256 ( 876 PWs) bands (ev): 9.9359 9.9359 11.4105 11.4105 11.7296 11.7296 12.1307 12.1307 13.1247 13.1247 13.8235 13.8235 14.6122 14.6122 15.2420 15.2420 15.4504 15.4504 15.5575 15.5575 17.3462 17.3462 17.6508 17.6508 19.1637 19.1637 19.7788 19.7788 k =-0.5000 0.4316 0.0192 ( 876 PWs) bands (ev): 9.9278 9.9278 11.4932 11.4932 11.7215 11.7215 12.0340 12.0340 13.1902 13.1902 13.7549 13.7549 14.5994 14.5994 15.2718 15.2718 15.4929 15.4929 15.5359 15.5359 17.3613 17.3613 17.6853 17.6853 19.1361 19.1361 19.7536 19.7536 k =-0.5000 0.4316 0.0128 ( 878 PWs) bands (ev): 9.9219 9.9219 11.5778 11.5778 11.7157 11.7157 11.9394 11.9394 13.2498 13.2498 13.6928 13.6928 14.5905 14.5905 15.2973 15.2973 15.5116 15.5116 15.5285 15.5285 17.3725 17.3725 17.7109 17.7109 19.1159 19.1159 19.7352 19.7352 k =-0.5000 0.4316 0.0064 ( 878 PWs) bands (ev): 9.9184 9.9184 11.6638 11.6638 11.7124 11.7124 11.8472 11.8472 13.2960 13.2960 13.6451 13.6451 14.5852 14.5852 15.3155 15.3155 15.4988 15.4988 15.5454 15.5454 17.3793 17.3793 17.7267 17.7267 19.1035 19.1035 19.7240 19.7240 k =-0.5000 0.4316 0.0000 ( 878 PWs) bands (ev): 9.9173 9.9173 11.7102 11.7102 11.7385 11.7385 11.7715 11.7715 13.3145 13.3145 13.6260 13.6260 14.5835 14.5835 15.3223 15.3223 15.4933 15.4933 15.5516 15.5516 17.3816 17.3816 17.7320 17.7320 19.0994 19.0994 19.7202 19.7202 k = 0.0000 0.0000 0.1282 ( 854 PWs) bands (ev): -1.9496 -1.9496 -1.9496 -1.9496 2.1322 2.1322 2.1322 2.1322 10.2339 10.2339 10.2339 10.2339 21.2664 21.2664 21.2664 21.2664 26.5087 26.5087 26.5087 26.5087 27.4566 27.4566 27.4566 27.4566 28.0223 28.0223 28.0223 28.0223 k =-0.0051 0.0044 0.1282 ( 854 PWs) bands (ev): -1.9482 -1.9482 -1.9482 -1.9482 2.1336 2.1336 2.1336 2.1336 10.2352 10.2352 10.2352 10.2352 21.2667 21.2667 21.2668 21.2668 26.4705 26.4705 26.4711 26.4711 27.4310 27.4310 27.4333 27.4333 28.0627 28.0627 28.0643 28.0643 k =-0.0101 0.0087 0.1282 ( 856 PWs) bands (ev): -1.9440 -1.9440 -1.9440 -1.9440 2.1377 2.1377 2.1377 2.1377 10.2390 10.2390 10.2391 10.2391 21.2677 21.2677 21.2679 21.2679 26.3667 26.3667 26.3676 26.3676 27.3618 27.3618 27.3647 27.3647 28.1750 28.1750 28.1768 28.1768 k =-0.0152 0.0131 0.1282 ( 860 PWs) bands (ev): -1.9370 -1.9370 -1.9369 -1.9369 2.1446 2.1446 2.1446 2.1446 10.2454 10.2454 10.2455 10.2455 21.2693 21.2693 21.2696 21.2696 26.2176 26.2176 26.2184 26.2184 27.2575 27.2575 27.2599 27.2599 28.3371 28.3371 28.3379 28.3379 k =-0.0202 0.0174 0.1282 ( 856 PWs) bands (ev): -1.9271 -1.9271 -1.9271 -1.9271 2.1543 2.1543 2.1543 2.1543 10.2544 10.2544 10.2545 10.2545 21.2716 21.2716 21.2720 21.2720 26.0408 26.0408 26.0414 26.0414 27.1267 27.1267 27.1285 27.1285 28.5297 28.5297 28.5306 28.5306 k =-0.0253 0.0218 0.1282 ( 856 PWs) bands (ev): -1.9144 -1.9144 -1.9144 -1.9144 2.1667 2.1667 2.1667 2.1667 10.2659 10.2659 10.2660 10.2660 21.2744 21.2744 21.2750 21.2750 25.8478 25.8478 25.8481 25.8481 26.9769 26.9769 26.9780 26.9780 28.7401 28.7401 28.7435 28.7435 k =-0.0303 0.0262 0.1282 ( 856 PWs) bands (ev): -1.8990 -1.8990 -1.8990 -1.8990 2.1819 2.1819 2.1819 2.1819 10.2800 10.2800 10.2801 10.2801 21.2778 21.2778 21.2784 21.2784 25.6454 25.6454 25.6455 25.6455 26.8139 26.8139 26.8146 26.8146 28.9610 28.9610 28.9680 28.9680 k =-0.0354 0.0305 0.1282 ( 856 PWs) bands (ev): -1.8807 -1.8807 -1.8807 -1.8807 2.1998 2.1998 2.1999 2.1999 10.2966 10.2966 10.2967 10.2967 21.2815 21.2815 21.2823 21.2823 25.4374 25.4374 25.4378 25.4378 26.6421 26.6421 26.6423 26.6423 29.1834 29.1834 29.1972 29.1972 k =-0.0404 0.0349 0.1282 ( 856 PWs) bands (ev): -1.8596 -1.8596 -1.8596 -1.8596 2.2205 2.2205 2.2206 2.2206 10.3158 10.3158 10.3159 10.3159 21.2855 21.2855 21.2865 21.2865 25.2265 25.2265 25.2273 25.2273 26.4644 26.4644 26.4644 26.4644 29.3846 29.3846 29.4137 29.4137 k =-0.0455 0.0392 0.1282 ( 852 PWs) bands (ev): -1.8357 -1.8357 -1.8357 -1.8357 2.2439 2.2439 2.2440 2.2440 10.3375 10.3375 10.3376 10.3376 21.2897 21.2897 21.2908 21.2908 25.0145 25.0145 25.0156 25.0156 26.2830 26.2830 26.2832 26.2832 29.4790 29.4790 29.5177 29.5177 k =-0.0505 0.0436 0.1282 ( 852 PWs) bands (ev): -1.8090 -1.8090 -1.8090 -1.8090 2.2702 2.2702 2.2702 2.2702 10.3618 10.3618 10.3619 10.3619 21.2939 21.2939 21.2952 21.2952 24.8022 24.8022 24.8037 24.8037 26.0998 26.0998 26.1000 26.1000 29.4245 29.4245 29.4460 29.4460 k =-0.0556 0.0480 0.1282 ( 856 PWs) bands (ev): -1.7795 -1.7795 -1.7794 -1.7794 2.2991 2.2991 2.2992 2.2992 10.3886 10.3886 10.3888 10.3888 21.2980 21.2980 21.2995 21.2995 24.5905 24.5905 24.5923 24.5923 25.9159 25.9159 25.9162 25.9162 29.3177 29.3177 29.3304 29.3304 k =-0.0606 0.0523 0.1282 ( 856 PWs) bands (ev): -1.7472 -1.7472 -1.7471 -1.7471 2.3308 2.3308 2.3309 2.3309 10.4179 10.4179 10.4181 10.4181 21.3016 21.3016 21.3033 21.3033 24.3798 24.3798 24.3820 24.3820 25.7323 25.7323 25.7327 25.7327 29.1948 29.1948 29.2030 29.2030 k =-0.0657 0.0567 0.1282 ( 856 PWs) bands (ev): -1.7120 -1.7120 -1.7120 -1.7120 2.3653 2.3653 2.3654 2.3654 10.4498 10.4498 10.4501 10.4501 21.3046 21.3046 21.3066 21.3066 24.1706 24.1706 24.1732 24.1732 25.5499 25.5499 25.5503 25.5503 29.0645 29.0645 29.0700 29.0700 k =-0.0707 0.0610 0.1282 ( 856 PWs) bands (ev): -1.6741 -1.6741 -1.6741 -1.6741 2.4025 2.4025 2.4026 2.4026 10.4842 10.4842 10.4845 10.4845 21.3067 21.3067 21.3090 21.3090 23.9631 23.9631 23.9661 23.9661 25.3692 25.3692 25.3695 25.3695 28.9301 28.9301 28.9337 28.9337 k =-0.0758 0.0654 0.1282 ( 856 PWs) bands (ev): -1.6334 -1.6334 -1.6333 -1.6333 2.4424 2.4424 2.4426 2.4426 10.5212 10.5212 10.5215 10.5215 21.3075 21.3075 21.3101 21.3101 23.7576 23.7576 23.7610 23.7610 25.1908 25.1908 25.1911 25.1911 28.7933 28.7933 28.7957 28.7957 k =-0.0808 0.0698 0.1282 ( 848 PWs) bands (ev): -1.5898 -1.5898 -1.5898 -1.5898 2.4851 2.4851 2.4853 2.4853 10.5606 10.5606 10.5609 10.5609 21.3066 21.3066 21.3097 21.3097 23.5543 23.5543 23.5582 23.5582 25.0152 25.0152 25.0155 25.0155 28.6553 28.6553 28.6567 28.6567 k =-0.0859 0.0741 0.1282 ( 848 PWs) bands (ev): -1.5435 -1.5435 -1.5434 -1.5434 2.5305 2.5305 2.5307 2.5307 10.6026 10.6026 10.6029 10.6029 21.3036 21.3036 21.3071 21.3071 23.3534 23.3534 23.3578 23.3578 24.8429 24.8429 24.8431 24.8431 28.5169 28.5169 28.5175 28.5175 k =-0.0909 0.0785 0.1282 ( 848 PWs) bands (ev): -1.4944 -1.4944 -1.4943 -1.4943 2.5787 2.5787 2.5789 2.5789 10.6471 10.6471 10.6475 10.6475 21.2979 21.2979 21.3020 21.3020 23.1551 23.1551 23.1601 23.1601 24.6744 24.6744 24.6745 24.6745 28.3787 28.3787 28.3787 28.3787 k =-0.0960 0.0828 0.1282 ( 848 PWs) bands (ev): -1.4425 -1.4425 -1.4424 -1.4424 2.6296 2.6296 2.6298 2.6298 10.6941 10.6941 10.6945 10.6945 21.2888 21.2888 21.2936 21.2936 22.9597 22.9597 22.9654 22.9654 24.5102 24.5102 24.5102 24.5102 28.2407 28.2407 28.2413 28.2413 k =-0.1010 0.0872 0.1282 ( 848 PWs) bands (ev): -1.3878 -1.3878 -1.3877 -1.3877 2.6833 2.6833 2.6834 2.6834 10.7436 10.7436 10.7440 10.7440 21.2756 21.2756 21.2812 21.2812 22.7673 22.7673 22.7738 22.7738 24.3506 24.3506 24.3508 24.3508 28.1042 28.1042 28.1052 28.1052 k =-0.1061 0.0916 0.1282 ( 848 PWs) bands (ev): -1.3303 -1.3303 -1.3302 -1.3302 2.7396 2.7396 2.7398 2.7398 10.7955 10.7955 10.7959 10.7959 21.2575 21.2575 21.2640 21.2640 22.5784 22.5784 22.5858 22.5858 24.1963 24.1963 24.1966 24.1966 27.9694 27.9694 27.9708 27.9708 k =-0.1111 0.0959 0.1282 ( 848 PWs) bands (ev): -1.2700 -1.2700 -1.2699 -1.2699 2.7987 2.7987 2.7989 2.7989 10.8499 10.8499 10.8504 10.8504 21.2333 21.2333 21.2410 21.2410 22.3933 22.3933 22.4018 22.4018 24.0477 24.0477 24.0482 24.0482 27.8367 27.8367 27.8385 27.8385 k =-0.1162 0.1003 0.1282 ( 848 PWs) bands (ev): -1.2069 -1.2069 -1.2069 -1.2069 2.8605 2.8605 2.8607 2.8607 10.9068 10.9068 10.9073 10.9073 21.2018 21.2018 21.2109 21.2109 22.2127 22.2127 22.2225 22.2225 23.9054 23.9054 23.9061 23.9061 27.7066 27.7066 27.7087 27.7087 k =-0.1212 0.1046 0.1282 ( 856 PWs) bands (ev): -1.1411 -1.1411 -1.1410 -1.1410 2.9250 2.9250 2.9253 2.9253 10.9662 10.9662 10.9667 10.9667 21.1616 21.1616 21.1723 21.1723 22.0373 22.0373 22.0486 22.0486 23.7699 23.7699 23.7709 23.7709 27.5794 27.5794 27.5818 27.5818 k =-0.1263 0.1090 0.1282 ( 854 PWs) bands (ev): -1.0725 -1.0725 -1.0724 -1.0724 2.9923 2.9923 2.9925 2.9925 11.0280 11.0280 11.0285 11.0285 21.1109 21.1109 21.1234 21.1234 21.8683 21.8683 21.8813 21.8813 23.6416 23.6416 23.6429 23.6429 27.4555 27.4555 27.4581 27.4581 k =-0.1313 0.1134 0.1282 ( 854 PWs) bands (ev): -1.0011 -1.0011 -1.0010 -1.0010 3.0622 3.0622 3.0625 3.0625 11.0922 11.0922 11.0928 11.0928 21.0477 21.0477 21.0622 21.0622 21.7072 21.7072 21.7220 21.7220 23.5210 23.5210 23.5226 23.5226 27.3351 27.3351 27.3379 27.3379 k =-0.1364 0.1177 0.1282 ( 854 PWs) bands (ev): -0.9270 -0.9270 -0.9269 -0.9269 3.1349 3.1349 3.1352 3.1352 11.1588 11.1588 11.1595 11.1595 20.9701 20.9701 20.9865 20.9865 21.5556 21.5556 21.5720 21.5720 23.4083 23.4083 23.4102 23.4102 27.2187 27.2187 27.2217 27.2217 k =-0.1414 0.1221 0.1282 ( 854 PWs) bands (ev): -0.8500 -0.8500 -0.8499 -0.8499 3.2102 3.2102 3.2105 3.2105 11.2279 11.2279 11.2286 11.2286 20.8768 20.8768 20.8945 20.8945 21.4148 21.4148 21.4324 21.4324 23.3036 23.3036 23.3058 23.3058 27.1064 27.1064 27.1096 27.1096 k =-0.1465 0.1264 0.1282 ( 858 PWs) bands (ev): -0.7704 -0.7704 -0.7703 -0.7703 3.2883 3.2883 3.2886 3.2886 11.2993 11.2993 11.3000 11.3000 20.7680 20.7680 20.7862 20.7862 21.2850 21.2850 21.3028 21.3028 23.2067 23.2067 23.2092 23.2092 26.9987 26.9987 27.0020 27.0020 k =-0.1515 0.1308 0.1282 ( 856 PWs) bands (ev): -0.6879 -0.6879 -0.6878 -0.6878 3.3690 3.3690 3.3694 3.3694 11.3731 11.3731 11.3739 11.3739 20.6453 20.6453 20.6631 20.6631 21.1644 21.1644 21.1816 21.1816 23.1172 23.1172 23.1202 23.1202 26.8956 26.8956 26.8991 26.8991 k =-0.1566 0.1352 0.1282 ( 856 PWs) bands (ev): -0.6027 -0.6027 -0.6026 -0.6026 3.4525 3.4525 3.4528 3.4528 11.4493 11.4493 11.4501 11.4501 20.5119 20.5119 20.5288 20.5288 21.0500 21.0500 21.0661 21.0661 23.0347 23.0347 23.0379 23.0379 26.7974 26.7974 26.8011 26.8011 k =-0.1616 0.1395 0.1282 ( 856 PWs) bands (ev): -0.5148 -0.5148 -0.5147 -0.5147 3.5386 3.5386 3.5389 3.5389 11.5278 11.5278 11.5287 11.5287 20.3709 20.3709 20.3866 20.3866 20.9387 20.9387 20.9533 20.9533 22.9582 22.9582 22.9618 22.9618 26.7042 26.7042 26.7080 26.7080 k =-0.1667 0.1439 0.1282 ( 858 PWs) bands (ev): -0.4241 -0.4241 -0.4240 -0.4240 3.6274 3.6274 3.6277 3.6277 11.6086 11.6086 11.6095 11.6095 20.2253 20.2253 20.2397 20.2397 20.8280 20.8280 20.8412 20.8412 22.8870 22.8870 22.8908 22.8908 26.6158 26.6158 26.6198 26.6198 k =-0.1717 0.1482 0.1282 ( 858 PWs) bands (ev): -0.3307 -0.3307 -0.3305 -0.3305 3.7188 3.7188 3.7192 3.7192 11.6917 11.6917 11.6927 11.6927 20.0769 20.0769 20.0902 20.0902 20.7165 20.7165 20.7284 20.7284 22.8198 22.8198 22.8239 22.8239 26.5320 26.5320 26.5362 26.5362 k =-0.1768 0.1526 0.1282 ( 852 PWs) bands (ev): -0.2345 -0.2345 -0.2344 -0.2344 3.8129 3.8129 3.8133 3.8133 11.7771 11.7771 11.7782 11.7782 19.9275 19.9275 19.9398 19.9398 20.6034 20.6034 20.6141 20.6141 22.7557 22.7557 22.7599 22.7599 26.4522 26.4522 26.4565 26.4565 k =-0.1818 0.1570 0.1282 ( 852 PWs) bands (ev): -0.1356 -0.1356 -0.1355 -0.1355 3.9097 3.9097 3.9101 3.9101 11.8648 11.8648 11.8659 11.8659 19.7778 19.7778 19.7893 19.7893 20.4885 20.4885 20.4983 20.4983 22.6936 22.6936 22.6980 22.6980 26.3754 26.3754 26.3798 26.3798 k =-0.1869 0.1613 0.1282 ( 852 PWs) bands (ev): -0.0340 -0.0340 -0.0338 -0.0338 4.0091 4.0091 4.0096 4.0096 11.9547 11.9547 11.9558 11.9558 19.6288 19.6288 19.6395 19.6395 20.3719 20.3719 20.3809 20.3809 22.6325 22.6325 22.6371 22.6371 26.3000 26.3000 26.3045 26.3045 k =-0.1919 0.1657 0.1282 ( 854 PWs) bands (ev): 0.0703 0.0703 0.0705 0.0705 4.1112 4.1112 4.1117 4.1117 12.0467 12.0467 12.0480 12.0480 19.4807 19.4807 19.4908 19.4908 20.2538 20.2538 20.2621 20.2621 22.5716 22.5716 22.5762 22.5762 26.2238 26.2238 26.2284 26.2284 k =-0.1970 0.1700 0.1282 ( 854 PWs) bands (ev): 0.1774 0.1774 0.1776 0.1776 4.2159 4.2159 4.2164 4.2164 12.1409 12.1409 12.1423 12.1423 19.3341 19.3341 19.3437 19.3437 20.1346 20.1346 20.1423 20.1423 22.5101 22.5101 22.5148 22.5148 26.1441 26.1441 26.1486 26.1486 k =-0.2020 0.1744 0.1282 ( 858 PWs) bands (ev): 0.2871 0.2871 0.2873 0.2873 4.3232 4.3232 4.3237 4.3237 12.2373 12.2373 12.2387 12.2387 19.1891 19.1891 19.1982 19.1982 20.0145 20.0145 20.0218 20.0218 22.4474 22.4474 22.4522 22.4522 26.0582 26.0582 26.0627 26.0627 k =-0.2071 0.1788 0.1282 ( 858 PWs) bands (ev): 0.3996 0.3996 0.3998 0.3998 4.4332 4.4332 4.4337 4.4337 12.3358 12.3358 12.3373 12.3373 19.0459 19.0459 19.0547 19.0547 19.8939 19.8939 19.9008 19.9008 22.3830 22.3830 22.3878 22.3878 25.9644 25.9644 25.9686 25.9686 k =-0.2121 0.1831 0.1282 ( 854 PWs) bands (ev): 0.5148 0.5148 0.5150 0.5150 4.5457 4.5457 4.5463 4.5463 12.4363 12.4363 12.4379 12.4379 18.9047 18.9047 18.9131 18.9131 19.7732 19.7732 19.7798 19.7798 22.3166 22.3166 22.3214 22.3214 25.8624 25.8624 25.8664 25.8664 k =-0.2172 0.1875 0.1282 ( 854 PWs) bands (ev): 0.6326 0.6326 0.6328 0.6328 4.6609 4.6609 4.6615 4.6615 12.5388 12.5388 12.5405 12.5405 18.7656 18.7656 18.7737 18.7737 19.6525 19.6525 19.6589 19.6589 22.2479 22.2479 22.2526 22.2526 25.7533 25.7533 25.7570 25.7570 k =-0.2222 0.1918 0.1282 ( 854 PWs) bands (ev): 0.7532 0.7532 0.7534 0.7534 4.7786 4.7786 4.7792 4.7792 12.6433 12.6433 12.6451 12.6451 18.6286 18.6286 18.6365 18.6365 19.5323 19.5323 19.5384 19.5384 22.1768 22.1768 22.1814 22.1814 25.6390 25.6390 25.6424 25.6424 k =-0.2273 0.1962 0.1282 ( 856 PWs) bands (ev): 0.8764 0.8764 0.8766 0.8766 4.8990 4.8990 4.8996 4.8996 12.7497 12.7497 12.7516 12.7516 18.4939 18.4939 18.5016 18.5016 19.4126 19.4126 19.4186 19.4186 22.1031 22.1031 22.1077 22.1077 25.5212 25.5212 25.5244 25.5244 k =-0.2323 0.2006 0.1282 ( 854 PWs) bands (ev): 1.0023 1.0023 1.0025 1.0025 5.0219 5.0219 5.0225 5.0225 12.8579 12.8579 12.8600 12.8600 18.3614 18.3614 18.3690 18.3690 19.2938 19.2938 19.2997 19.2997 22.0270 22.0270 22.0315 22.0315 25.4013 25.4013 25.4044 25.4044 k =-0.2374 0.2049 0.1282 ( 854 PWs) bands (ev): 1.1308 1.1308 1.1310 1.1310 5.1474 5.1474 5.1481 5.1481 12.9679 12.9679 12.9702 12.9702 18.2313 18.2313 18.2387 18.2387 19.1759 19.1759 19.1817 19.1817 21.9484 21.9484 21.9528 21.9528 25.2806 25.2806 25.2835 25.2835 k =-0.2424 0.2093 0.1282 ( 858 PWs) bands (ev): 1.2620 1.2620 1.2623 1.2623 5.2754 5.2754 5.2761 5.2761 13.0797 13.0797 13.0821 13.0821 18.1035 18.1035 18.1109 18.1109 19.0591 19.0591 19.0650 19.0650 21.8674 21.8674 21.8718 21.8718 25.1598 25.1598 25.1626 25.1626 k =-0.2475 0.2136 0.1282 ( 858 PWs) bands (ev): 1.3959 1.3959 1.3961 1.3961 5.4060 5.4060 5.4067 5.4067 13.1931 13.1931 13.1957 13.1957 17.9782 17.9782 17.9854 17.9854 18.9436 18.9436 18.9495 18.9495 21.7842 21.7842 21.7885 21.7885 25.0395 25.0395 25.0422 25.0422 k =-0.2525 0.2180 0.1282 ( 858 PWs) bands (ev): 1.5324 1.5324 1.5326 1.5326 5.5391 5.5391 5.5399 5.5399 13.3080 13.3080 13.3109 13.3109 17.8552 17.8552 17.8624 17.8624 18.8295 18.8295 18.8355 18.8355 21.6989 21.6989 21.7031 21.7031 24.9202 24.9202 24.9228 24.9228 k =-0.2576 0.2224 0.1282 ( 858 PWs) bands (ev): 1.6715 1.6715 1.6718 1.6718 5.6747 5.6747 5.6755 5.6755 13.4244 13.4244 13.4275 13.4275 17.7347 17.7347 17.7419 17.7419 18.7169 18.7169 18.7229 18.7229 21.6115 21.6115 21.6157 21.6157 24.8021 24.8021 24.8047 24.8047 k =-0.2626 0.2267 0.1282 ( 862 PWs) bands (ev): 1.8132 1.8132 1.8135 1.8135 5.8128 5.8128 5.8137 5.8137 13.5422 13.5422 13.5455 13.5455 17.6168 17.6168 17.6239 17.6239 18.6059 18.6059 18.6121 18.6121 21.5223 21.5223 21.5264 21.5264 24.6856 24.6856 24.6881 24.6881 k =-0.2677 0.2311 0.1282 ( 862 PWs) bands (ev): 1.9576 1.9576 1.9579 1.9579 5.9534 5.9534 5.9543 5.9543 13.6612 13.6612 13.6647 13.6647 17.5013 17.5013 17.5084 17.5084 18.4965 18.4965 18.5029 18.5029 21.4312 21.4312 21.4353 21.4353 24.5708 24.5708 24.5733 24.5733 k =-0.2727 0.2354 0.1282 ( 858 PWs) bands (ev): 2.1046 2.1046 2.1049 2.1049 6.0965 6.0965 6.0975 6.0975 13.7812 13.7812 13.7850 13.7850 17.3883 17.3883 17.3955 17.3955 18.3889 18.3889 18.3955 18.3955 21.3384 21.3384 21.3424 21.3424 24.4578 24.4578 24.4603 24.4603 k =-0.2778 0.2398 0.1282 ( 854 PWs) bands (ev): 2.2541 2.2541 2.2544 2.2544 6.2421 6.2421 6.2431 6.2431 13.9022 13.9022 13.9063 13.9063 17.2779 17.2779 17.2852 17.2852 18.2831 18.2831 18.2899 18.2899 21.2438 21.2438 21.2479 21.2479 24.3467 24.3467 24.3493 24.3493 k =-0.2828 0.2442 0.1282 ( 850 PWs) bands (ev): 2.4063 2.4063 2.4066 2.4066 6.3901 6.3901 6.3911 6.3911 14.0239 14.0239 14.0284 14.0284 17.1701 17.1701 17.1775 17.1775 18.1791 18.1791 18.1863 18.1863 21.1475 21.1475 21.1516 21.1516 24.2377 24.2377 24.2402 24.2402 k =-0.2879 0.2485 0.1282 ( 852 PWs) bands (ev): 2.5610 2.5610 2.5613 2.5613 6.5405 6.5405 6.5416 6.5416 14.1461 14.1461 14.1509 14.1509 17.0649 17.0649 17.0724 17.0724 18.0771 18.0771 18.0846 18.0846 21.0495 21.0495 21.0535 21.0535 24.1307 24.1307 24.1333 24.1333 k =-0.2929 0.2529 0.1282 ( 848 PWs) bands (ev): 2.7182 2.7182 2.7186 2.7186 6.6934 6.6934 6.6945 6.6945 14.2686 14.2686 14.2738 14.2738 16.9624 16.9624 16.9701 16.9701 17.9771 17.9771 17.9850 17.9850 20.9495 20.9495 20.9536 20.9536 24.0256 24.0256 24.0283 24.0283 k =-0.2980 0.2572 0.1282 ( 852 PWs) bands (ev): 2.8781 2.8781 2.8784 2.8784 6.8486 6.8486 6.8498 6.8498 14.3911 14.3911 14.3967 14.3967 16.8627 16.8627 16.8705 16.8705 17.8791 17.8791 17.8875 17.8875 20.8476 20.8476 20.8517 20.8517 23.9224 23.9224 23.9253 23.9253 k =-0.3030 0.2616 0.1282 ( 852 PWs) bands (ev): 3.0404 3.0404 3.0408 3.0408 7.0062 7.0062 7.0075 7.0075 14.5131 14.5131 14.5193 14.5193 16.7657 16.7657 16.7738 16.7738 17.7833 17.7833 17.7923 17.7923 20.7434 20.7434 20.7475 20.7475 23.8208 23.8208 23.8238 23.8238 k =-0.3081 0.2660 0.1282 ( 852 PWs) bands (ev): 3.2053 3.2053 3.2057 3.2057 7.1662 7.1662 7.1675 7.1675 14.6343 14.6343 14.6411 14.6411 16.6716 16.6716 16.6801 16.6801 17.6896 17.6896 17.6993 17.6993 20.6367 20.6367 20.6409 20.6409 23.7200 23.7200 23.7234 23.7234 k =-0.3131 0.2703 0.1282 ( 852 PWs) bands (ev): 3.3726 3.3726 3.3730 3.3730 7.3285 7.3285 7.3298 7.3298 14.7541 14.7541 14.7615 14.7615 16.5806 16.5806 16.5894 16.5894 17.5983 17.5983 17.6088 17.6088 20.5272 20.5272 20.5316 20.5316 23.6187 23.6187 23.6226 23.6226 k =-0.3182 0.2747 0.1282 ( 852 PWs) bands (ev): 3.5425 3.5425 3.5429 3.5429 7.4930 7.4930 7.4945 7.4945 14.8719 14.8719 14.8799 14.8799 16.4927 16.4927 16.5020 16.5020 17.5095 17.5095 17.5208 17.5208 20.4145 20.4145 20.4190 20.4190 23.5128 23.5128 23.5174 23.5174 k =-0.3232 0.2790 0.1282 ( 852 PWs) bands (ev): 3.7148 3.7148 3.7153 3.7153 7.6599 7.6599 7.6614 7.6614 14.9868 14.9868 14.9955 14.9955 16.4083 16.4083 16.4182 16.4182 17.4232 17.4232 17.4356 17.4356 20.2982 20.2982 20.3029 20.3029 23.3910 23.3910 23.3964 23.3964 k =-0.3283 0.2834 0.1282 ( 850 PWs) bands (ev): 3.8896 3.8896 3.8901 3.8901 7.8290 7.8290 7.8306 7.8306 15.0976 15.0976 15.1070 15.1070 16.3278 16.3278 16.3384 16.3384 17.3399 17.3399 17.3535 17.3535 20.1778 20.1778 20.1826 20.1826 23.2302 23.2302 23.2346 23.2346 k =-0.3333 0.2878 0.1282 ( 850 PWs) bands (ev): 4.0669 4.0669 4.0674 4.0674 8.0003 8.0003 8.0020 8.0020 15.2028 15.2028 15.2129 15.2129 16.2516 16.2516 16.2633 16.2633 17.2598 17.2598 17.2748 17.2748 20.0528 20.0528 20.0579 20.0579 23.0264 23.0264 23.0286 23.0286 k =-0.3384 0.2921 0.1282 ( 850 PWs) bands (ev): 4.2465 4.2465 4.2470 4.2470 8.1739 8.1739 8.1756 8.1756 15.3003 15.3003 15.3110 15.3110 16.1807 16.1807 16.1939 16.1939 17.1834 17.1834 17.2000 17.2000 19.9228 19.9228 19.9281 19.9281 22.8063 22.8063 22.8071 22.8071 k =-0.3434 0.2965 0.1282 ( 850 PWs) bands (ev): 4.4286 4.4286 4.4291 4.4291 8.3495 8.3495 8.3514 8.3514 15.3873 15.3873 15.3982 15.3982 16.1166 16.1166 16.1317 16.1317 17.1115 17.1115 17.1298 17.1298 19.7874 19.7874 19.7931 19.7931 22.5871 22.5871 22.5871 22.5871 k =-0.3485 0.3008 0.1282 ( 854 PWs) bands (ev): 4.6130 4.6130 4.6135 4.6135 8.5273 8.5273 8.5293 8.5293 15.4595 15.4595 15.4702 15.4702 16.0613 16.0613 16.0791 16.0791 17.0450 17.0450 17.0653 17.0653 19.6465 19.6465 19.6526 19.6526 22.3751 22.3751 22.3756 22.3756 k =-0.3535 0.3052 0.1282 ( 854 PWs) bands (ev): 4.7997 4.7997 4.8003 4.8003 8.7071 8.7071 8.7092 8.7092 15.5120 15.5120 15.5218 15.5218 16.0176 16.0176 16.0388 16.0388 16.9853 16.9853 17.0076 17.0076 19.5002 19.5002 19.5068 19.5068 22.1741 22.1741 22.1749 22.1749 k =-0.3586 0.3096 0.1282 ( 856 PWs) bands (ev): 4.9888 4.9888 4.9894 4.9894 8.8890 8.8890 8.8912 8.8912 15.5398 15.5398 15.5481 15.5481 15.9874 15.9874 16.0125 16.0125 16.9341 16.9341 16.9582 16.9582 19.3491 19.3491 19.3561 19.3561 21.9856 21.9856 21.9867 21.9867 k =-0.3636 0.3139 0.1282 ( 856 PWs) bands (ev): 5.1802 5.1802 5.1808 5.1808 9.0729 9.0729 9.0752 9.0752 15.5417 15.5417 15.5488 15.5488 15.9685 15.9685 15.9970 15.9970 16.8934 16.8934 16.9187 16.9187 19.1940 19.1940 19.2017 19.2017 21.8105 21.8105 21.8117 21.8117 k =-0.3687 0.3183 0.1282 ( 860 PWs) bands (ev): 5.3738 5.3738 5.3745 5.3745 9.2586 9.2586 9.2610 9.2610 15.5222 15.5222 15.5286 15.5286 15.9536 15.9536 15.9840 15.9840 16.8645 16.8645 16.8901 16.8901 19.0365 19.0365 19.0449 19.0449 21.6489 21.6489 21.6503 21.6503 k =-0.3737 0.3226 0.1282 ( 860 PWs) bands (ev): 5.5697 5.5697 5.5703 5.5703 9.4462 9.4462 9.4488 9.4488 15.4881 15.4881 15.4946 15.4946 15.9335 15.9335 15.9638 15.9638 16.8477 16.8477 16.8721 16.8721 18.8786 18.8786 18.8881 18.8881 21.5009 21.5009 21.5025 21.5025 k =-0.3788 0.3270 0.1282 ( 856 PWs) bands (ev): 5.7677 5.7677 5.7684 5.7684 9.6356 9.6356 9.6383 9.6383 15.4455 15.4455 15.4526 15.4526 15.9012 15.9012 15.9298 15.9298 16.8407 16.8407 16.8625 16.8625 18.7232 18.7232 18.7338 18.7338 21.3660 21.3660 21.3680 21.3680 k =-0.3838 0.3314 0.1282 ( 856 PWs) bands (ev): 5.9678 5.9678 5.9686 5.9686 9.8267 9.8267 9.8296 9.8296 15.3982 15.3982 15.4062 15.4062 15.8538 15.8538 15.8792 15.8792 16.8391 16.8391 16.8571 16.8571 18.5734 18.5734 18.5854 18.5854 21.2438 21.2438 21.2460 21.2460 k =-0.3889 0.3357 0.1282 ( 856 PWs) bands (ev): 6.1701 6.1701 6.1708 6.1708 10.0195 10.0195 10.0225 10.0225 15.3483 15.3483 15.3577 15.3577 15.7906 15.7906 15.8119 15.8119 16.8373 16.8373 16.8505 16.8505 18.4327 18.4327 18.4464 18.4464 21.1334 21.1334 21.1360 21.1360 k =-0.3939 0.3401 0.1282 ( 856 PWs) bands (ev): 6.3743 6.3743 6.3751 6.3751 10.2137 10.2137 10.2170 10.2170 15.2968 15.2968 15.3079 15.3079 15.7124 15.7124 15.7290 15.7290 16.8294 16.8294 16.8373 16.8373 18.3047 18.3047 18.3203 18.3203 21.0340 21.0340 21.0371 21.0371 k =-0.3990 0.3444 0.1282 ( 860 PWs) bands (ev): 6.5805 6.5805 6.5814 6.5814 10.4094 10.4094 10.4129 10.4129 15.2434 15.2434 15.2570 15.2570 15.6207 15.6207 15.6319 15.6319 16.8107 16.8107 16.8132 16.8132 18.1919 18.1919 18.2095 18.2095 20.9448 20.9448 20.9483 20.9483 k =-0.4040 0.3488 0.1282 ( 860 PWs) bands (ev): 6.7886 6.7886 6.7895 6.7895 10.6064 10.6064 10.6101 10.6101 15.1869 15.1869 15.2040 15.2040 15.5177 15.5177 15.5225 15.5225 16.7758 16.7758 16.7786 16.7786 18.0955 18.0955 18.1151 18.1151 20.8648 20.8648 20.8688 20.8688 k =-0.4091 0.3532 0.1282 ( 860 PWs) bands (ev): 6.9984 6.9984 6.9994 6.9994 10.8046 10.8046 10.8085 10.8085 15.1232 15.1232 15.1455 15.1455 15.4050 15.4050 15.4080 15.4080 16.7252 16.7252 16.7328 16.7328 18.0144 18.0144 18.0357 18.0357 20.7930 20.7930 20.7975 20.7975 k =-0.4141 0.3575 0.1282 ( 864 PWs) bands (ev): 7.2100 7.2100 7.2110 7.2110 11.0037 11.0037 11.0079 11.0079 15.0439 15.0439 15.0722 15.0722 15.2894 15.2894 15.3007 15.3007 16.6634 16.6634 16.6751 16.6751 17.9454 17.9454 17.9681 17.9681 20.7283 20.7283 20.7334 20.7334 k =-0.4192 0.3619 0.1282 ( 868 PWs) bands (ev): 7.4230 7.4230 7.4241 7.4241 11.2037 11.2037 11.2081 11.2081 14.9368 14.9368 14.9672 14.9672 15.1933 15.1933 15.2089 15.2089 16.5935 16.5935 16.6087 16.6087 17.8842 17.8842 17.9076 17.9076 20.6696 20.6696 20.6752 20.6752 k =-0.4242 0.3662 0.1282 ( 868 PWs) bands (ev): 7.6375 7.6375 7.6386 7.6386 11.4043 11.4043 11.4090 11.4090 14.7972 14.7972 14.8241 14.8241 15.1244 15.1244 15.1383 15.1383 16.5186 16.5186 16.5365 16.5365 17.8260 17.8260 17.8499 17.8499 20.6157 20.6157 20.6218 20.6218 k =-0.4293 0.3706 0.1282 ( 868 PWs) bands (ev): 7.8532 7.8532 7.8543 7.8543 11.6051 11.6051 11.6102 11.6102 14.6320 14.6320 14.6542 14.6542 15.0730 15.0730 15.0836 15.0836 16.4411 16.4411 16.4612 16.4612 17.7670 17.7670 17.7911 17.7911 20.5654 20.5654 20.5719 20.5719 k =-0.4343 0.3750 0.1282 ( 868 PWs) bands (ev): 8.0698 8.0698 8.0710 8.0710 11.8060 11.8060 11.8115 11.8115 14.4493 14.4493 14.4675 14.4675 15.0305 15.0305 15.0383 15.0383 16.3625 16.3625 16.3843 16.3843 17.7045 17.7045 17.7285 17.7285 20.5177 20.5177 20.5245 20.5245 k =-0.4394 0.3793 0.1282 ( 868 PWs) bands (ev): 8.2871 8.2871 8.2884 8.2884 12.0066 12.0066 12.0125 12.0125 14.2544 14.2544 14.2695 14.2695 14.9932 14.9932 14.9989 14.9989 16.2833 16.2833 16.3064 16.3064 17.6372 17.6372 17.6610 17.6610 20.4719 20.4719 20.4787 20.4787 k =-0.4444 0.3837 0.1282 ( 874 PWs) bands (ev): 8.5047 8.5047 8.5060 8.5060 12.2063 12.2063 12.2126 12.2126 14.0509 14.0509 14.0637 14.0637 14.9594 14.9594 14.9635 14.9635 16.2036 16.2036 16.2274 16.2274 17.5650 17.5650 17.5885 17.5885 20.4277 20.4277 20.4344 20.4344 k =-0.4495 0.3880 0.1282 ( 874 PWs) bands (ev): 8.7221 8.7221 8.7235 8.7235 12.4046 12.4046 12.4114 12.4114 13.8416 13.8416 13.8526 13.8526 14.9283 14.9283 14.9310 14.9310 16.1227 16.1227 16.1470 16.1470 17.4891 17.4891 17.5120 17.5120 20.3853 20.3853 20.3916 20.3916 k =-0.4545 0.3924 0.1282 ( 868 PWs) bands (ev): 8.9386 8.9386 8.9400 8.9400 12.6007 12.6007 12.6081 12.6081 13.6289 13.6289 13.6385 13.6385 14.8992 14.8992 14.9008 14.9008 16.0402 16.0402 16.0644 16.0644 17.4113 17.4113 17.4334 17.4334 20.3452 20.3452 20.3510 20.3510 k =-0.4596 0.3968 0.1282 ( 866 PWs) bands (ev): 9.1533 9.1533 9.1547 9.1547 12.7933 12.7933 12.8015 12.8015 13.4152 13.4152 13.4240 13.4240 14.8717 14.8717 14.8722 14.8722 15.9555 15.9555 15.9792 15.9792 17.3340 17.3340 17.3549 17.3549 20.3079 20.3079 20.3131 20.3131 k =-0.4646 0.4011 0.1282 ( 862 PWs) bands (ev): 9.3648 9.3648 9.3663 9.3663 12.9791 12.9791 12.9892 12.9892 13.2042 13.2042 13.2134 13.2134 14.8447 14.8447 14.8451 14.8451 15.8685 15.8685 15.8911 15.8911 17.2598 17.2598 17.2793 17.2793 20.2741 20.2741 20.2787 20.2787 k =-0.4697 0.4055 0.1282 ( 862 PWs) bands (ev): 9.5711 9.5711 9.5727 9.5727 12.9891 12.9891 12.9913 12.9913 13.1745 13.1745 13.1789 13.1789 14.8174 14.8174 14.8187 14.8187 15.7800 15.7800 15.8008 15.8008 17.1914 17.1914 17.2089 17.2089 20.2443 20.2443 20.2482 20.2482 k =-0.4747 0.4098 0.1282 ( 862 PWs) bands (ev): 9.7695 9.7695 9.7710 9.7710 12.7898 12.7898 12.7937 12.7937 13.3448 13.3448 13.3518 13.3518 14.7894 14.7894 14.7916 14.7916 15.6918 15.6918 15.7103 15.7103 17.1309 17.1309 17.1461 17.1461 20.2187 20.2187 20.2220 20.2220 k =-0.4798 0.4142 0.1282 ( 858 PWs) bands (ev): 9.9553 9.9553 9.9568 9.9568 12.6014 12.6014 12.6049 12.6049 13.5069 13.5069 13.5145 13.5145 14.7600 14.7600 14.7630 14.7630 15.6073 15.6073 15.6229 15.6229 17.0801 17.0801 17.0926 17.0926 20.1978 20.1978 20.2003 20.2003 k =-0.4848 0.4186 0.1282 ( 862 PWs) bands (ev): 10.1215 10.1215 10.1229 10.1229 12.4327 12.4327 12.4356 12.4356 13.6524 13.6524 13.6596 13.6596 14.7290 14.7290 14.7326 14.7326 15.5318 15.5318 15.5439 15.5439 17.0401 17.0401 17.0497 17.0497 20.1815 20.1815 20.1834 20.1834 k =-0.4899 0.4229 0.1282 ( 866 PWs) bands (ev): 10.2576 10.2576 10.2586 10.2586 12.2949 12.2949 12.2970 12.2970 13.7724 13.7724 13.7784 13.7784 14.6984 14.6984 14.7019 14.7019 15.4716 15.4716 15.4799 15.4799 17.0117 17.0117 17.0182 17.0182 20.1699 20.1699 20.1711 20.1711 k =-0.4949 0.4273 0.1282 ( 862 PWs) bands (ev): 10.3493 10.3493 10.3499 10.3499 12.2025 12.2025 12.2036 12.2036 13.8549 13.8549 13.8585 13.8585 14.6743 14.6743 14.6766 14.6766 15.4331 15.4331 15.4373 15.4373 16.9952 16.9952 16.9985 16.9985 20.1630 20.1630 20.1637 20.1637 k =-0.5000 0.4316 0.1282 ( 860 PWs) bands (ev): 10.3822 10.3822 10.3822 10.3822 12.1699 12.1699 12.1699 12.1699 13.8860 13.8860 13.8860 13.8860 14.6656 14.6656 14.6656 14.6656 15.4211 15.4211 15.4211 15.4211 16.9908 16.9908 16.9908 16.9908 20.1610 20.1610 20.1610 20.1610 Writing output data file P.save init_run : 0.14s CPU 0.28s WALL ( 1 calls) electrons : 73.00s CPU 75.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 72.98s CPU 75.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 650 calls) cegterg : 66.92s CPU 68.47s WALL ( 708 calls) Called by sum_band: Called by *egterg: h_psi : 25.52s CPU 26.74s WALL ( 11904 calls) s_psi : 3.47s CPU 3.46s WALL ( 11904 calls) g_psi : 0.08s CPU 0.07s WALL ( 10546 calls) cdiaghg : 35.47s CPU 36.07s WALL ( 11196 calls) cegterg:over : 2.14s CPU 2.13s WALL ( 10546 calls) cegterg:upda : 1.63s CPU 1.53s WALL ( 10546 calls) cegterg:last : 0.79s CPU 0.83s WALL ( 2104 calls) cdiaghg:chol : 1.72s CPU 1.79s WALL ( 11196 calls) cdiaghg:inve : 0.68s CPU 0.69s WALL ( 11196 calls) cdiaghg:para : 1.97s CPU 2.22s WALL ( 22392 calls) Called by h_psi: h_psi:vloc : 18.42s CPU 19.16s WALL ( 11904 calls) h_psi:vnl : 7.06s CPU 7.54s WALL ( 11904 calls) add_vuspsi : 3.98s CPU 4.32s WALL ( 11904 calls) General routines calbec : 3.05s CPU 3.19s WALL ( 11904 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.44s CPU 18.16s WALL ( 774164 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.20s WALL ( 1300 calls) Parallel routines fft_scatter : 12.58s CPU 13.09s WALL ( 774187 calls) PWSCF : 1m23.78s CPU 1m45.73s WALL This run was terminated on: 21: 4: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=