Program PWSCF v.5.4.0 starts on 12Feb2017 at 3:16: 2 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./KPH2SO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 52 30 8 2123 926 144 Max 53 31 9 2130 949 150 Sum 1905 1097 321 76601 33793 5309 bravais-lattice index = 14 lattice parameter (alat) = 8.5974 a.u. unit-cell volume = 777.3060 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 5 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.597417 celldm(2)= 1.000000 celldm(3)= 1.295511 celldm(4)= 0.235868 celldm(5)= 0.235868 celldm(6)= 0.036052 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.036052 0.999350 0.000000 ) a(3) = ( 0.305570 0.294745 1.223969 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.036076 -0.240967 ) b(2) = ( 0.000000 1.000651 -0.240967 ) b(3) = ( 0.000000 0.000000 0.817014 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 PseudoPot. # 4 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 5 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 S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) H 1.00 1.00790 H( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 331 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098395 0.0094910 -0.0045505), wk = 0.0030211 k( 3) = ( 0.0196791 0.0189820 -0.0091010), wk = 0.0030211 k( 4) = ( 0.0295186 0.0284729 -0.0136515), wk = 0.0030211 k( 5) = ( 0.0393582 0.0379639 -0.0182019), wk = 0.0030211 k( 6) = ( 0.0491977 0.0474549 -0.0227524), wk = 0.0030211 k( 7) = ( 0.0590373 0.0569458 -0.0273029), wk = 0.0030211 k( 8) = ( 0.0688768 0.0664368 -0.0318534), wk = 0.0030211 k( 9) = ( 0.0787163 0.0759278 -0.0364039), wk = 0.0030211 k( 10) = ( 0.0885559 0.0854188 -0.0409544), wk = 0.0030211 k( 11) = ( 0.0983954 0.0949097 -0.0455049), wk = 0.0030211 k( 12) = ( 0.1082350 0.1044007 -0.0500554), wk = 0.0030211 k( 13) = ( 0.1180745 0.1138917 -0.0546058), wk = 0.0030211 k( 14) = ( 0.1279141 0.1233827 -0.0591563), wk = 0.0030211 k( 15) = ( 0.1377536 0.1328736 -0.0637068), wk = 0.0030211 k( 16) = ( 0.1475931 0.1423646 -0.0682573), wk = 0.0030211 k( 17) = ( 0.1574327 0.1518556 -0.0728078), wk = 0.0030211 k( 18) = ( 0.1672722 0.1613466 -0.0773583), wk = 0.0030211 k( 19) = ( 0.1771118 0.1708375 -0.0819088), wk = 0.0030211 k( 20) = ( 0.1869513 0.1803285 -0.0864592), wk = 0.0030211 k( 21) = ( 0.1967908 0.1898195 -0.0910097), wk = 0.0030211 k( 22) = ( 0.2066304 0.1993105 -0.0955602), wk = 0.0030211 k( 23) = ( 0.2164699 0.2088014 -0.1001107), wk = 0.0030211 k( 24) = ( 0.2263095 0.2182924 -0.1046612), wk = 0.0030211 k( 25) = ( 0.2361490 0.2277834 -0.1092117), wk = 0.0030211 k( 26) = ( 0.2459886 0.2372744 -0.1137622), wk = 0.0030211 k( 27) = ( 0.2558281 0.2467653 -0.1183126), wk = 0.0030211 k( 28) = ( 0.2656676 0.2562563 -0.1228631), wk = 0.0030211 k( 29) = ( 0.2755072 0.2657473 -0.1274136), wk = 0.0030211 k( 30) = ( 0.2853467 0.2752383 -0.1319641), wk = 0.0030211 k( 31) = ( 0.2951863 0.2847292 -0.1365146), wk = 0.0030211 k( 32) = ( 0.3050258 0.2942202 -0.1410651), wk = 0.0030211 k( 33) = ( 0.3148654 0.3037112 -0.1456156), wk = 0.0030211 k( 34) = ( 0.3247049 0.3132022 -0.1501661), wk = 0.0030211 k( 35) = ( 0.3345444 0.3226931 -0.1547165), wk = 0.0030211 k( 36) = ( 0.3443840 0.3321841 -0.1592670), wk = 0.0030211 k( 37) = ( 0.3542235 0.3416751 -0.1638175), wk = 0.0030211 k( 38) = ( 0.3640631 0.3511661 -0.1683680), wk = 0.0030211 k( 39) = ( 0.3739026 0.3606570 -0.1729185), wk = 0.0030211 k( 40) = ( 0.3837422 0.3701480 -0.1774690), wk = 0.0030211 k( 41) = ( 0.3935817 0.3796390 -0.1820195), wk = 0.0030211 k( 42) = ( 0.4034213 0.3891299 -0.1865700), wk = 0.0030211 k( 43) = ( 0.4132608 0.3986209 -0.1911204), wk = 0.0030211 k( 44) = ( 0.4231003 0.4081119 -0.1956709), wk = 0.0030211 k( 45) = ( 0.4329399 0.4176029 -0.2002214), wk = 0.0030211 k( 46) = ( 0.4427794 0.4270938 -0.2047719), wk = 0.0030211 k( 47) = ( 0.4526190 0.4365848 -0.2093224), wk = 0.0030211 k( 48) = ( 0.4624585 0.4460758 -0.2138729), wk = 0.0030211 k( 49) = ( 0.4722981 0.4555668 -0.2184234), wk = 0.0030211 k( 50) = ( 0.4821376 0.4650577 -0.2229738), wk = 0.0030211 k( 51) = ( 0.4919771 0.4745487 -0.2275243), wk = 0.0030211 k( 52) = ( 0.4919771 0.4745487 -0.2275243), wk = 0.0030211 k( 53) = ( 0.4952045 0.4776618 -0.2145970), wk = 0.0030211 k( 54) = ( 0.4984319 0.4807748 -0.2016697), wk = 0.0030211 k( 55) = ( 0.5016592 0.4838878 -0.1887423), wk = 0.0030211 k( 56) = ( 0.5048866 0.4870009 -0.1758150), wk = 0.0030211 k( 57) = ( 0.5081140 0.4901139 -0.1628877), wk = 0.0030211 k( 58) = ( 0.5113413 0.4932269 -0.1499603), wk = 0.0030211 k( 59) = ( 0.5145687 0.4963400 -0.1370330), wk = 0.0030211 k( 60) = ( 0.5177961 0.4994530 -0.1241057), wk = 0.0030211 k( 61) = ( 0.5210235 0.5025661 -0.1111783), wk = 0.0030211 k( 62) = ( 0.5242508 0.5056791 -0.0982510), wk = 0.0030211 k( 63) = ( 0.5274782 0.5087921 -0.0853237), wk = 0.0030211 k( 64) = ( 0.5307055 0.5119052 -0.0723963), wk = 0.0030211 k( 65) = ( 0.5339329 0.5150182 -0.0594690), wk = 0.0030211 k( 66) = ( 0.5371603 0.5181312 -0.0465417), wk = 0.0030211 k( 67) = ( 0.5371603 0.5181312 -0.0465417), wk = 0.0030211 k( 68) = ( 0.5348378 0.5158910 -0.0331616), wk = 0.0030211 k( 69) = ( 0.5325152 0.5136508 -0.0197815), wk = 0.0030211 k( 70) = ( 0.5301927 0.5114105 -0.0064014), wk = 0.0030211 k( 71) = ( 0.5278702 0.5091703 0.0069787), wk = 0.0030211 k( 72) = ( 0.5255477 0.5069300 0.0203588), wk = 0.0030211 k( 73) = ( 0.5232252 0.5046898 0.0337389), wk = 0.0030211 k( 74) = ( 0.5209027 0.5024496 0.0471190), wk = 0.0030211 k( 75) = ( 0.5185801 0.5002093 0.0604991), wk = 0.0030211 k( 76) = ( 0.5162576 0.4979691 0.0738792), wk = 0.0030211 k( 77) = ( 0.5139351 0.4957288 0.0872593), wk = 0.0030211 k( 78) = ( 0.5116126 0.4934886 0.1006394), wk = 0.0030211 k( 79) = ( 0.5092901 0.4912483 0.1140195), wk = 0.0030211 k( 80) = ( 0.5069676 0.4890081 0.1273996), wk = 0.0030211 k( 81) = ( 0.5046450 0.4867679 0.1407797), wk = 0.0030211 k( 82) = ( 0.5023225 0.4845276 0.1541598), wk = 0.0030211 k( 83) = ( 0.5000000 0.4822874 0.1675399), wk = 0.0030211 k( 84) = ( 0.5000000 0.4822874 0.1675399), wk = 0.0030211 k( 85) = ( 0.5093668 0.4725766 0.1675399), wk = 0.0030211 k( 86) = ( 0.5187335 0.4628658 0.1675399), wk = 0.0030211 k( 87) = ( 0.5281003 0.4531551 0.1675399), wk = 0.0030211 k( 88) = ( 0.5374671 0.4434443 0.1675399), wk = 0.0030211 k( 89) = ( 0.5468338 0.4337335 0.1675399), wk = 0.0030211 k( 90) = ( 0.5562006 0.4240227 0.1675399), wk = 0.0030211 k( 91) = ( 0.5655674 0.4143120 0.1675399), wk = 0.0030211 k( 92) = ( 0.5749341 0.4046012 0.1675399), wk = 0.0030211 k( 93) = ( 0.5843009 0.3948904 0.1675399), wk = 0.0030211 k( 94) = ( 0.4156991 -0.4309662 0.4085070), wk = 0.0030211 k( 95) = ( 0.4058015 -0.4207051 0.4085070), wk = 0.0030211 k( 96) = ( 0.3959039 -0.4104440 0.4085070), wk = 0.0030211 k( 97) = ( 0.3860063 -0.4001829 0.4085070), wk = 0.0030211 k( 98) = ( 0.3761087 -0.3899218 0.4085070), wk = 0.0030211 k( 99) = ( 0.3662111 -0.3796607 0.4085070), wk = 0.0030211 k( 100) = ( 0.3563135 -0.3693996 0.4085070), wk = 0.0030211 k( 101) = ( 0.3464159 -0.3591385 0.4085070), wk = 0.0030211 k( 102) = ( 0.3365183 -0.3488774 0.4085070), wk = 0.0030211 k( 103) = ( 0.3266207 -0.3386163 0.4085070), wk = 0.0030211 k( 104) = ( 0.3167231 -0.3283552 0.4085070), wk = 0.0030211 k( 105) = ( 0.3068255 -0.3180941 0.4085070), wk = 0.0030211 k( 106) = ( 0.2969279 -0.3078330 0.4085070), wk = 0.0030211 k( 107) = ( 0.2870303 -0.2975719 0.4085070), wk = 0.0030211 k( 108) = ( 0.2771327 -0.2873108 0.4085070), wk = 0.0030211 k( 109) = ( 0.2672351 -0.2770497 0.4085070), wk = 0.0030211 k( 110) = ( 0.2573375 -0.2667886 0.4085070), wk = 0.0030211 k( 111) = ( 0.2474399 -0.2565275 0.4085070), wk = 0.0030211 k( 112) = ( 0.2375424 -0.2462664 0.4085070), wk = 0.0030211 k( 113) = ( 0.2276448 -0.2360053 0.4085070), wk = 0.0030211 k( 114) = ( 0.2177472 -0.2257442 0.4085070), wk = 0.0030211 k( 115) = ( 0.2078496 -0.2154831 0.4085070), wk = 0.0030211 k( 116) = ( 0.1979520 -0.2052220 0.4085070), wk = 0.0030211 k( 117) = ( 0.1880544 -0.1949609 0.4085070), wk = 0.0030211 k( 118) = ( 0.1781568 -0.1846998 0.4085070), wk = 0.0030211 k( 119) = ( 0.1682592 -0.1744387 0.4085070), wk = 0.0030211 k( 120) = ( 0.1583616 -0.1641776 0.4085070), wk = 0.0030211 k( 121) = ( 0.1484640 -0.1539165 0.4085070), wk = 0.0030211 k( 122) = ( 0.1385664 -0.1436554 0.4085070), wk = 0.0030211 k( 123) = ( 0.1286688 -0.1333943 0.4085070), wk = 0.0030211 k( 124) = ( 0.1187712 -0.1231332 0.4085070), wk = 0.0030211 k( 125) = ( 0.1088736 -0.1128721 0.4085070), wk = 0.0030211 k( 126) = ( 0.0989760 -0.1026110 0.4085070), wk = 0.0030211 k( 127) = ( 0.0890784 -0.0923499 0.4085070), wk = 0.0030211 k( 128) = ( 0.0791808 -0.0820888 0.4085070), wk = 0.0030211 k( 129) = ( 0.0692832 -0.0718277 0.4085070), wk = 0.0030211 k( 130) = ( 0.0593856 -0.0615666 0.4085070), wk = 0.0030211 k( 131) = ( 0.0494880 -0.0513055 0.4085070), wk = 0.0030211 k( 132) = ( 0.0395904 -0.0410444 0.4085070), wk = 0.0030211 k( 133) = ( 0.0296928 -0.0307833 0.4085070), wk = 0.0030211 k( 134) = ( 0.0197952 -0.0205222 0.4085070), wk = 0.0030211 k( 135) = ( 0.0098976 -0.0102611 0.4085070), wk = 0.0030211 k( 136) = ( 0.0000000 0.0000000 0.4085070), wk = 0.0030211 k( 137) = ( 0.0000000 0.0000000 0.4085070), wk = 0.0030211 k( 138) = ( 0.0103906 0.0100225 0.4085070), wk = 0.0030211 k( 139) = ( 0.0207811 0.0200449 0.4085070), wk = 0.0030211 k( 140) = ( 0.0311717 0.0300674 0.4085070), wk = 0.0030211 k( 141) = ( 0.0415622 0.0400899 0.4085070), wk = 0.0030211 k( 142) = ( 0.0519528 0.0501123 0.4085070), wk = 0.0030211 k( 143) = ( 0.0623433 0.0601348 0.4085070), wk = 0.0030211 k( 144) = ( 0.0727339 0.0701573 0.4085070), wk = 0.0030211 k( 145) = ( 0.0831245 0.0801798 0.4085070), wk = 0.0030211 k( 146) = ( 0.0935150 0.0902022 0.4085070), wk = 0.0030211 k( 147) = ( 0.1039056 0.1002247 0.4085070), wk = 0.0030211 k( 148) = ( 0.1142961 0.1102472 0.4085070), wk = 0.0030211 k( 149) = ( 0.1246867 0.1202696 0.4085070), wk = 0.0030211 k( 150) = ( 0.1350773 0.1302921 0.4085070), wk = 0.0030211 k( 151) = ( 0.1454678 0.1403146 0.4085070), wk = 0.0030211 k( 152) = ( 0.1558584 0.1503370 0.4085070), wk = 0.0030211 k( 153) = ( 0.1662489 0.1603595 0.4085070), wk = 0.0030211 k( 154) = ( 0.1766395 0.1703820 0.4085070), wk = 0.0030211 k( 155) = ( 0.1870300 0.1804045 0.4085070), wk = 0.0030211 k( 156) = ( 0.1974206 0.1904269 0.4085070), wk = 0.0030211 k( 157) = ( 0.2078112 0.2004494 0.4085070), wk = 0.0030211 k( 158) = ( 0.2182017 0.2104719 0.4085070), wk = 0.0030211 k( 159) = ( 0.2285923 0.2204943 0.4085070), wk = 0.0030211 k( 160) = ( 0.2389828 0.2305168 0.4085070), wk = 0.0030211 k( 161) = ( 0.2493734 0.2405393 0.4085070), wk = 0.0030211 k( 162) = ( 0.2597640 0.2505617 0.4085070), wk = 0.0030211 k( 163) = ( 0.2701545 0.2605842 0.4085070), wk = 0.0030211 k( 164) = ( 0.2805451 0.2706067 0.4085070), wk = 0.0030211 k( 165) = ( 0.2909356 0.2806292 0.4085070), wk = 0.0030211 k( 166) = ( 0.3013262 0.2906516 0.4085070), wk = 0.0030211 k( 167) = ( 0.3117167 0.3006741 0.4085070), wk = 0.0030211 k( 168) = ( 0.3221073 0.3106966 0.4085070), wk = 0.0030211 k( 169) = ( 0.3324978 0.3207190 0.4085070), wk = 0.0030211 k( 170) = ( 0.3428884 0.3307415 0.4085070), wk = 0.0030211 k( 171) = ( 0.3532790 0.3407640 0.4085070), wk = 0.0030211 k( 172) = ( 0.3636695 0.3507864 0.4085070), wk = 0.0030211 k( 173) = ( 0.3740601 0.3608089 0.4085070), wk = 0.0030211 k( 174) = ( 0.3844506 0.3708314 0.4085070), wk = 0.0030211 k( 175) = ( 0.3948412 0.3808538 0.4085070), wk = 0.0030211 k( 176) = ( 0.4052318 0.3908763 0.4085070), wk = 0.0030211 k( 177) = ( 0.4156223 0.4008988 0.4085070), wk = 0.0030211 k( 178) = ( 0.4260129 0.4109213 0.4085070), wk = 0.0030211 k( 179) = ( 0.4364034 0.4209437 0.4085070), wk = 0.0030211 k( 180) = ( 0.4467940 0.4309662 0.4085070), wk = 0.0030211 k( 181) = ( 0.4467940 0.4309662 0.4085070), wk = 0.0030211 k( 182) = ( 0.4521426 0.4361253 0.3995451), wk = 0.0030211 k( 183) = ( 0.4574911 0.4412844 0.3905833), wk = 0.0030211 k( 184) = ( 0.4628397 0.4464435 0.3816214), wk = 0.0030211 k( 185) = ( 0.5532060 -0.4670420 0.1675399), wk = 0.0030211 k( 186) = ( 0.5499786 -0.4701550 0.1546125), wk = 0.0030211 k( 187) = ( 0.5467513 -0.4732680 0.1416852), wk = 0.0030211 k( 188) = ( 0.5435239 -0.4763811 0.1287579), wk = 0.0030211 k( 189) = ( 0.5402965 -0.4794941 0.1158305), wk = 0.0030211 k( 190) = ( 0.5370692 -0.4826072 0.1029032), wk = 0.0030211 k( 191) = ( 0.5338418 -0.4857202 0.0899759), wk = 0.0030211 k( 192) = ( 0.5306144 -0.4888332 0.0770485), wk = 0.0030211 k( 193) = ( 0.5273871 -0.4919463 0.0641212), wk = 0.0030211 k( 194) = ( 0.5241597 -0.4950593 0.0511939), wk = 0.0030211 k( 195) = ( 0.5209323 -0.4981724 0.0382665), wk = 0.0030211 k( 196) = ( 0.5177050 -0.5012854 0.0253392), wk = 0.0030211 k( 197) = ( 0.5144776 -0.5043984 0.0124119), wk = 0.0030211 k( 198) = ( 0.5112502 -0.5075115 -0.0005155), wk = 0.0030211 k( 199) = ( 0.5080229 -0.5106245 -0.0134428), wk = 0.0030211 k( 200) = ( 0.5080229 -0.5106245 -0.0134428), wk = 0.0030211 k( 201) = ( 0.5040114 -0.5144938 -0.0067214), wk = 0.0030211 k( 202) = ( 0.5000000 -0.5183631 0.0000000), wk = 0.0030211 k( 203) = ( 0.5000000 -0.5183631 0.0000000), wk = 0.0030211 k( 204) = ( 0.4900000 -0.5079959 0.0000000), wk = 0.0030211 k( 205) = ( 0.4800000 -0.4976286 0.0000000), wk = 0.0030211 k( 206) = ( 0.4700000 -0.4872614 0.0000000), wk = 0.0030211 k( 207) = ( 0.4600000 -0.4768941 0.0000000), wk = 0.0030211 k( 208) = ( 0.4500000 -0.4665268 0.0000000), wk = 0.0030211 k( 209) = ( 0.4400000 -0.4561596 0.0000000), wk = 0.0030211 k( 210) = ( 0.4300000 -0.4457923 0.0000000), wk = 0.0030211 k( 211) = ( 0.4200000 -0.4354250 0.0000000), wk = 0.0030211 k( 212) = ( 0.4100000 -0.4250578 0.0000000), wk = 0.0030211 k( 213) = ( 0.4000000 -0.4146905 0.0000000), wk = 0.0030211 k( 214) = ( 0.3900000 -0.4043233 0.0000000), wk = 0.0030211 k( 215) = ( 0.3800000 -0.3939560 0.0000000), wk = 0.0030211 k( 216) = ( 0.3700000 -0.3835887 0.0000000), wk = 0.0030211 k( 217) = ( 0.3600000 -0.3732215 0.0000000), wk = 0.0030211 k( 218) = ( 0.3500000 -0.3628542 0.0000000), wk = 0.0030211 k( 219) = ( 0.3400000 -0.3524869 0.0000000), wk = 0.0030211 k( 220) = ( 0.3300000 -0.3421197 0.0000000), wk = 0.0030211 k( 221) = ( 0.3200000 -0.3317524 0.0000000), wk = 0.0030211 k( 222) = ( 0.3100000 -0.3213852 0.0000000), wk = 0.0030211 k( 223) = ( 0.3000000 -0.3110179 0.0000000), wk = 0.0030211 k( 224) = ( 0.2900000 -0.3006506 0.0000000), wk = 0.0030211 k( 225) = ( 0.2800000 -0.2902834 0.0000000), wk = 0.0030211 k( 226) = ( 0.2700000 -0.2799161 0.0000000), wk = 0.0030211 k( 227) = ( 0.2600000 -0.2695488 0.0000000), wk = 0.0030211 k( 228) = ( 0.2500000 -0.2591816 0.0000000), wk = 0.0030211 k( 229) = ( 0.2400000 -0.2488143 0.0000000), wk = 0.0030211 k( 230) = ( 0.2300000 -0.2384470 0.0000000), wk = 0.0030211 k( 231) = ( 0.2200000 -0.2280798 0.0000000), wk = 0.0030211 k( 232) = ( 0.2100000 -0.2177125 0.0000000), wk = 0.0030211 k( 233) = ( 0.2000000 -0.2073453 0.0000000), wk = 0.0030211 k( 234) = ( 0.1900000 -0.1969780 0.0000000), wk = 0.0030211 k( 235) = ( 0.1800000 -0.1866107 0.0000000), wk = 0.0030211 k( 236) = ( 0.1700000 -0.1762435 0.0000000), wk = 0.0030211 k( 237) = ( 0.1600000 -0.1658762 0.0000000), wk = 0.0030211 k( 238) = ( 0.1500000 -0.1555089 0.0000000), wk = 0.0030211 k( 239) = ( 0.1400000 -0.1451417 0.0000000), wk = 0.0030211 k( 240) = ( 0.1300000 -0.1347744 0.0000000), wk = 0.0030211 k( 241) = ( 0.1200000 -0.1244072 0.0000000), wk = 0.0030211 k( 242) = ( 0.1100000 -0.1140399 0.0000000), wk = 0.0030211 k( 243) = ( 0.1000000 -0.1036726 0.0000000), wk = 0.0030211 k( 244) = ( 0.0900000 -0.0933054 0.0000000), wk = 0.0030211 k( 245) = ( 0.0800000 -0.0829381 0.0000000), wk = 0.0030211 k( 246) = ( 0.0700000 -0.0725708 0.0000000), wk = 0.0030211 k( 247) = ( 0.0600000 -0.0622036 0.0000000), wk = 0.0030211 k( 248) = ( 0.0500000 -0.0518363 0.0000000), wk = 0.0030211 k( 249) = ( 0.0400000 -0.0414691 0.0000000), wk = 0.0030211 k( 250) = ( 0.0300000 -0.0311018 0.0000000), wk = 0.0030211 k( 251) = ( 0.0200000 -0.0207345 0.0000000), wk = 0.0030211 k( 252) = ( 0.0100000 -0.0103673 0.0000000), wk = 0.0030211 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 255) = ( 0.0138889 -0.0005011 -0.0033468), wk = 0.0030211 k( 256) = ( 0.0277778 -0.0010021 -0.0066935), wk = 0.0030211 k( 257) = ( 0.0416667 -0.0015032 -0.0100403), wk = 0.0030211 k( 258) = ( 0.0555556 -0.0020042 -0.0133871), wk = 0.0030211 k( 259) = ( 0.0694444 -0.0025053 -0.0167338), wk = 0.0030211 k( 260) = ( 0.0833333 -0.0030063 -0.0200806), wk = 0.0030211 k( 261) = ( 0.0972222 -0.0035074 -0.0234274), wk = 0.0030211 k( 262) = ( 0.1111111 -0.0040084 -0.0267741), wk = 0.0030211 k( 263) = ( 0.1250000 -0.0045095 -0.0301209), wk = 0.0030211 k( 264) = ( 0.1388889 -0.0050105 -0.0334677), wk = 0.0030211 k( 265) = ( 0.1527778 -0.0055116 -0.0368144), wk = 0.0030211 k( 266) = ( 0.1666667 -0.0060126 -0.0401612), wk = 0.0030211 k( 267) = ( 0.1805556 -0.0065137 -0.0435080), wk = 0.0030211 k( 268) = ( 0.1944444 -0.0070147 -0.0468547), wk = 0.0030211 k( 269) = ( 0.2083333 -0.0075158 -0.0502015), wk = 0.0030211 k( 270) = ( 0.2222222 -0.0080168 -0.0535483), wk = 0.0030211 k( 271) = ( 0.2361111 -0.0085179 -0.0568950), wk = 0.0030211 k( 272) = ( 0.2500000 -0.0090189 -0.0602418), wk = 0.0030211 k( 273) = ( 0.2638889 -0.0095200 -0.0635885), wk = 0.0030211 k( 274) = ( 0.2777778 -0.0100210 -0.0669353), wk = 0.0030211 k( 275) = ( 0.2916667 -0.0105221 -0.0702821), wk = 0.0030211 k( 276) = ( 0.3055556 -0.0110232 -0.0736288), wk = 0.0030211 k( 277) = ( 0.3194444 -0.0115242 -0.0769756), wk = 0.0030211 k( 278) = ( 0.3333333 -0.0120253 -0.0803224), wk = 0.0030211 k( 279) = ( 0.3472222 -0.0125263 -0.0836691), wk = 0.0030211 k( 280) = ( 0.3611111 -0.0130274 -0.0870159), wk = 0.0030211 k( 281) = ( 0.3750000 -0.0135284 -0.0903627), wk = 0.0030211 k( 282) = ( 0.3888889 -0.0140295 -0.0937094), wk = 0.0030211 k( 283) = ( 0.4027778 -0.0145305 -0.0970562), wk = 0.0030211 k( 284) = ( 0.4166667 -0.0150316 -0.1004030), wk = 0.0030211 k( 285) = ( 0.4305556 -0.0155326 -0.1037497), wk = 0.0030211 k( 286) = ( 0.4444444 -0.0160337 -0.1070965), wk = 0.0030211 k( 287) = ( 0.4583333 -0.0165347 -0.1104433), wk = 0.0030211 k( 288) = ( 0.4722222 -0.0170358 -0.1137900), wk = 0.0030211 k( 289) = ( 0.4861111 -0.0175368 -0.1171368), wk = 0.0030211 k( 290) = ( 0.5000000 -0.0180379 -0.1204836), wk = 0.0030211 k( 291) = ( 0.5000000 -0.0180379 0.2880234), wk = 0.0030211 k( 292) = ( 0.4875000 -0.0175869 0.2808228), wk = 0.0030211 k( 293) = ( 0.4750000 -0.0171360 0.2736223), wk = 0.0030211 k( 294) = ( 0.4625000 -0.0166850 0.2664217), wk = 0.0030211 k( 295) = ( 0.4500000 -0.0162341 0.2592211), wk = 0.0030211 k( 296) = ( 0.4375000 -0.0157832 0.2520205), wk = 0.0030211 k( 297) = ( 0.4250000 -0.0153322 0.2448199), wk = 0.0030211 k( 298) = ( 0.4125000 -0.0148813 0.2376193), wk = 0.0030211 k( 299) = ( 0.4000000 -0.0144303 0.2304187), wk = 0.0030211 k( 300) = ( 0.3875000 -0.0139794 0.2232182), wk = 0.0030211 k( 301) = ( 0.3750000 -0.0135284 0.2160176), wk = 0.0030211 k( 302) = ( 0.3625000 -0.0130775 0.2088170), wk = 0.0030211 k( 303) = ( 0.3500000 -0.0126265 0.2016164), wk = 0.0030211 k( 304) = ( 0.3375000 -0.0121756 0.1944158), wk = 0.0030211 k( 305) = ( 0.3250000 -0.0117246 0.1872152), wk = 0.0030211 k( 306) = ( 0.3125000 -0.0112737 0.1800146), wk = 0.0030211 k( 307) = ( 0.3000000 -0.0108227 0.1728141), wk = 0.0030211 k( 308) = ( 0.2875000 -0.0103718 0.1656135), wk = 0.0030211 k( 309) = ( 0.2750000 -0.0099208 0.1584129), wk = 0.0030211 k( 310) = ( 0.2625000 -0.0094699 0.1512123), wk = 0.0030211 k( 311) = ( 0.2500000 -0.0090189 0.1440117), wk = 0.0030211 k( 312) = ( 0.2375000 -0.0085680 0.1368111), wk = 0.0030211 k( 313) = ( 0.2250000 -0.0081170 0.1296105), wk = 0.0030211 k( 314) = ( 0.2125000 -0.0076661 0.1224100), wk = 0.0030211 k( 315) = ( 0.2000000 -0.0072152 0.1152094), wk = 0.0030211 k( 316) = ( 0.1875000 -0.0067642 0.1080088), wk = 0.0030211 k( 317) = ( 0.1750000 -0.0063133 0.1008082), wk = 0.0030211 k( 318) = ( 0.1625000 -0.0058623 0.0936076), wk = 0.0030211 k( 319) = ( 0.1500000 -0.0054114 0.0864070), wk = 0.0030211 k( 320) = ( 0.1375000 -0.0049604 0.0792064), wk = 0.0030211 k( 321) = ( 0.1250000 -0.0045095 0.0720059), wk = 0.0030211 k( 322) = ( 0.1125000 -0.0040585 0.0648053), wk = 0.0030211 k( 323) = ( 0.1000000 -0.0036076 0.0576047), wk = 0.0030211 k( 324) = ( 0.0875000 -0.0031566 0.0504041), wk = 0.0030211 k( 325) = ( 0.0750000 -0.0027057 0.0432035), wk = 0.0030211 k( 326) = ( 0.0625000 -0.0022547 0.0360029), wk = 0.0030211 k( 327) = ( 0.0500000 -0.0018038 0.0288023), wk = 0.0030211 k( 328) = ( 0.0375000 -0.0013528 0.0216018), wk = 0.0030211 k( 329) = ( 0.0250000 -0.0009019 0.0144012), wk = 0.0030211 k( 330) = ( 0.0125000 -0.0004509 0.0072006), wk = 0.0030211 k( 331) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 2) = ( 0.0098395 0.0098395 0.0002344), wk = 0.0030211 k( 3) = ( 0.0196791 0.0196791 0.0004688), wk = 0.0030211 k( 4) = ( 0.0295186 0.0295186 0.0007033), wk = 0.0030211 k( 5) = ( 0.0393582 0.0393582 0.0009377), wk = 0.0030211 k( 6) = ( 0.0491977 0.0491977 0.0011721), wk = 0.0030211 k( 7) = ( 0.0590373 0.0590373 0.0014065), wk = 0.0030211 k( 8) = ( 0.0688768 0.0688768 0.0016410), wk = 0.0030211 k( 9) = ( 0.0787163 0.0787163 0.0018754), wk = 0.0030211 k( 10) = ( 0.0885559 0.0885559 0.0021098), wk = 0.0030211 k( 11) = ( 0.0983954 0.0983954 0.0023442), wk = 0.0030211 k( 12) = ( 0.1082350 0.1082350 0.0025786), wk = 0.0030211 k( 13) = ( 0.1180745 0.1180745 0.0028131), wk = 0.0030211 k( 14) = ( 0.1279141 0.1279141 0.0030475), wk = 0.0030211 k( 15) = ( 0.1377536 0.1377536 0.0032819), wk = 0.0030211 k( 16) = ( 0.1475931 0.1475931 0.0035163), wk = 0.0030211 k( 17) = ( 0.1574327 0.1574327 0.0037508), wk = 0.0030211 k( 18) = ( 0.1672722 0.1672722 0.0039852), wk = 0.0030211 k( 19) = ( 0.1771118 0.1771118 0.0042196), wk = 0.0030211 k( 20) = ( 0.1869513 0.1869513 0.0044540), wk = 0.0030211 k( 21) = ( 0.1967908 0.1967908 0.0046884), wk = 0.0030211 k( 22) = ( 0.2066304 0.2066304 0.0049229), wk = 0.0030211 k( 23) = ( 0.2164699 0.2164699 0.0051573), wk = 0.0030211 k( 24) = ( 0.2263095 0.2263095 0.0053917), wk = 0.0030211 k( 25) = ( 0.2361490 0.2361490 0.0056261), wk = 0.0030211 k( 26) = ( 0.2459886 0.2459886 0.0058606), wk = 0.0030211 k( 27) = ( 0.2558281 0.2558281 0.0060950), wk = 0.0030211 k( 28) = ( 0.2656676 0.2656676 0.0063294), wk = 0.0030211 k( 29) = ( 0.2755072 0.2755072 0.0065638), wk = 0.0030211 k( 30) = ( 0.2853467 0.2853467 0.0067982), wk = 0.0030211 k( 31) = ( 0.2951863 0.2951863 0.0070327), wk = 0.0030211 k( 32) = ( 0.3050258 0.3050258 0.0072671), wk = 0.0030211 k( 33) = ( 0.3148654 0.3148654 0.0075015), wk = 0.0030211 k( 34) = ( 0.3247049 0.3247049 0.0077359), wk = 0.0030211 k( 35) = ( 0.3345444 0.3345444 0.0079703), wk = 0.0030211 k( 36) = ( 0.3443840 0.3443840 0.0082048), wk = 0.0030211 k( 37) = ( 0.3542235 0.3542235 0.0084392), wk = 0.0030211 k( 38) = ( 0.3640631 0.3640631 0.0086736), wk = 0.0030211 k( 39) = ( 0.3739026 0.3739026 0.0089080), wk = 0.0030211 k( 40) = ( 0.3837422 0.3837422 0.0091425), wk = 0.0030211 k( 41) = ( 0.3935817 0.3935817 0.0093769), wk = 0.0030211 k( 42) = ( 0.4034213 0.4034213 0.0096113), wk = 0.0030211 k( 43) = ( 0.4132608 0.4132608 0.0098457), wk = 0.0030211 k( 44) = ( 0.4231003 0.4231003 0.0100802), wk = 0.0030211 k( 45) = ( 0.4329399 0.4329399 0.0103146), wk = 0.0030211 k( 46) = ( 0.4427794 0.4427794 0.0105490), wk = 0.0030211 k( 47) = ( 0.4526190 0.4526190 0.0107834), wk = 0.0030211 k( 48) = ( 0.4624585 0.4624585 0.0110178), wk = 0.0030211 k( 49) = ( 0.4722981 0.4722981 0.0112523), wk = 0.0030211 k( 50) = ( 0.4821376 0.4821376 0.0114867), wk = 0.0030211 k( 51) = ( 0.4919771 0.4919771 0.0117211), wk = 0.0030211 k( 52) = ( 0.4919771 0.4919771 0.0117211), wk = 0.0030211 k( 53) = ( 0.4952045 0.4952045 0.0294475), wk = 0.0030211 k( 54) = ( 0.4984319 0.4984319 0.0471739), wk = 0.0030211 k( 55) = ( 0.5016592 0.5016592 0.0649003), wk = 0.0030211 k( 56) = ( 0.5048866 0.5048866 0.0826267), wk = 0.0030211 k( 57) = ( 0.5081140 0.5081140 0.1003531), wk = 0.0030211 k( 58) = ( 0.5113413 0.5113413 0.1180795), wk = 0.0030211 k( 59) = ( 0.5145687 0.5145687 0.1358059), wk = 0.0030211 k( 60) = ( 0.5177961 0.5177961 0.1535323), wk = 0.0030211 k( 61) = ( 0.5210235 0.5210235 0.1712587), wk = 0.0030211 k( 62) = ( 0.5242508 0.5242508 0.1889851), wk = 0.0030211 k( 63) = ( 0.5274782 0.5274782 0.2067114), wk = 0.0030211 k( 64) = ( 0.5307055 0.5307055 0.2244378), wk = 0.0030211 k( 65) = ( 0.5339329 0.5339329 0.2421642), wk = 0.0030211 k( 66) = ( 0.5371603 0.5371603 0.2598906), wk = 0.0030211 k( 67) = ( 0.5371603 0.5371603 0.2598906), wk = 0.0030211 k( 68) = ( 0.5348378 0.5348378 0.2748975), wk = 0.0030211 k( 69) = ( 0.5325152 0.5325152 0.2899043), wk = 0.0030211 k( 70) = ( 0.5301927 0.5301927 0.3049111), wk = 0.0030211 k( 71) = ( 0.5278702 0.5278702 0.3199180), wk = 0.0030211 k( 72) = ( 0.5255477 0.5255477 0.3349248), wk = 0.0030211 k( 73) = ( 0.5232252 0.5232252 0.3499316), wk = 0.0030211 k( 74) = ( 0.5209027 0.5209027 0.3649385), wk = 0.0030211 k( 75) = ( 0.5185801 0.5185801 0.3799453), wk = 0.0030211 k( 76) = ( 0.5162576 0.5162576 0.3949522), wk = 0.0030211 k( 77) = ( 0.5139351 0.5139351 0.4099590), wk = 0.0030211 k( 78) = ( 0.5116126 0.5116126 0.4249658), wk = 0.0030211 k( 79) = ( 0.5092901 0.5092901 0.4399727), wk = 0.0030211 k( 80) = ( 0.5069676 0.5069676 0.4549795), wk = 0.0030211 k( 81) = ( 0.5046450 0.5046450 0.4699863), wk = 0.0030211 k( 82) = ( 0.5023225 0.5023225 0.4849932), wk = 0.0030211 k( 83) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 84) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030211 k( 85) = ( 0.5093668 0.4906332 0.5000000), wk = 0.0030211 k( 86) = ( 0.5187335 0.4812665 0.5000000), wk = 0.0030211 k( 87) = ( 0.5281003 0.4718997 0.5000000), wk = 0.0030211 k( 88) = ( 0.5374671 0.4625329 0.5000000), wk = 0.0030211 k( 89) = ( 0.5468338 0.4531662 0.5000000), wk = 0.0030211 k( 90) = ( 0.5562006 0.4437994 0.5000000), wk = 0.0030211 k( 91) = ( 0.5655674 0.4344326 0.5000000), wk = 0.0030211 k( 92) = ( 0.5749341 0.4250659 0.5000000), wk = 0.0030211 k( 93) = ( 0.5843009 0.4156991 0.5000000), wk = 0.0030211 k( 94) = ( 0.4156991 -0.4156991 0.5000000), wk = 0.0030211 k( 95) = ( 0.4058015 -0.4058015 0.5000000), wk = 0.0030211 k( 96) = ( 0.3959039 -0.3959039 0.5000000), wk = 0.0030211 k( 97) = ( 0.3860063 -0.3860063 0.5000000), wk = 0.0030211 k( 98) = ( 0.3761087 -0.3761087 0.5000000), wk = 0.0030211 k( 99) = ( 0.3662111 -0.3662111 0.5000000), wk = 0.0030211 k( 100) = ( 0.3563135 -0.3563135 0.5000000), wk = 0.0030211 k( 101) = ( 0.3464159 -0.3464159 0.5000000), wk = 0.0030211 k( 102) = ( 0.3365183 -0.3365183 0.5000000), wk = 0.0030211 k( 103) = ( 0.3266207 -0.3266207 0.5000000), wk = 0.0030211 k( 104) = ( 0.3167231 -0.3167231 0.5000000), wk = 0.0030211 k( 105) = ( 0.3068255 -0.3068255 0.5000000), wk = 0.0030211 k( 106) = ( 0.2969279 -0.2969279 0.5000000), wk = 0.0030211 k( 107) = ( 0.2870303 -0.2870303 0.5000000), wk = 0.0030211 k( 108) = ( 0.2771327 -0.2771327 0.5000000), wk = 0.0030211 k( 109) = ( 0.2672351 -0.2672351 0.5000000), wk = 0.0030211 k( 110) = ( 0.2573375 -0.2573375 0.5000000), wk = 0.0030211 k( 111) = ( 0.2474399 -0.2474400 0.5000000), wk = 0.0030211 k( 112) = ( 0.2375424 -0.2375424 0.5000000), wk = 0.0030211 k( 113) = ( 0.2276448 -0.2276448 0.5000000), wk = 0.0030211 k( 114) = ( 0.2177472 -0.2177472 0.5000000), wk = 0.0030211 k( 115) = ( 0.2078496 -0.2078496 0.5000000), wk = 0.0030211 k( 116) = ( 0.1979520 -0.1979520 0.5000000), wk = 0.0030211 k( 117) = ( 0.1880544 -0.1880544 0.5000000), wk = 0.0030211 k( 118) = ( 0.1781568 -0.1781568 0.5000000), wk = 0.0030211 k( 119) = ( 0.1682592 -0.1682592 0.5000000), wk = 0.0030211 k( 120) = ( 0.1583616 -0.1583616 0.5000000), wk = 0.0030211 k( 121) = ( 0.1484640 -0.1484640 0.5000000), wk = 0.0030211 k( 122) = ( 0.1385664 -0.1385664 0.5000000), wk = 0.0030211 k( 123) = ( 0.1286688 -0.1286688 0.5000000), wk = 0.0030211 k( 124) = ( 0.1187712 -0.1187712 0.5000000), wk = 0.0030211 k( 125) = ( 0.1088736 -0.1088736 0.5000000), wk = 0.0030211 k( 126) = ( 0.0989760 -0.0989760 0.5000000), wk = 0.0030211 k( 127) = ( 0.0890784 -0.0890784 0.5000000), wk = 0.0030211 k( 128) = ( 0.0791808 -0.0791808 0.5000000), wk = 0.0030211 k( 129) = ( 0.0692832 -0.0692832 0.5000000), wk = 0.0030211 k( 130) = ( 0.0593856 -0.0593856 0.5000000), wk = 0.0030211 k( 131) = ( 0.0494880 -0.0494880 0.5000000), wk = 0.0030211 k( 132) = ( 0.0395904 -0.0395904 0.5000000), wk = 0.0030211 k( 133) = ( 0.0296928 -0.0296928 0.5000000), wk = 0.0030211 k( 134) = ( 0.0197952 -0.0197952 0.5000000), wk = 0.0030211 k( 135) = ( 0.0098976 -0.0098976 0.5000000), wk = 0.0030211 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030211 k( 138) = ( 0.0103906 0.0103906 0.5061291), wk = 0.0030211 k( 139) = ( 0.0207811 0.0207811 0.5122582), wk = 0.0030211 k( 140) = ( 0.0311717 0.0311717 0.5183873), wk = 0.0030211 k( 141) = ( 0.0415622 0.0415622 0.5245164), wk = 0.0030211 k( 142) = ( 0.0519528 0.0519528 0.5306455), wk = 0.0030211 k( 143) = ( 0.0623433 0.0623433 0.5367746), wk = 0.0030211 k( 144) = ( 0.0727339 0.0727339 0.5429038), wk = 0.0030211 k( 145) = ( 0.0831245 0.0831245 0.5490329), wk = 0.0030211 k( 146) = ( 0.0935150 0.0935150 0.5551620), wk = 0.0030211 k( 147) = ( 0.1039056 0.1039056 0.5612911), wk = 0.0030211 k( 148) = ( 0.1142961 0.1142961 0.5674202), wk = 0.0030211 k( 149) = ( 0.1246867 0.1246867 0.5735493), wk = 0.0030211 k( 150) = ( 0.1350773 0.1350772 0.5796784), wk = 0.0030211 k( 151) = ( 0.1454678 0.1454678 0.5858075), wk = 0.0030211 k( 152) = ( 0.1558584 0.1558584 0.5919366), wk = 0.0030211 k( 153) = ( 0.1662489 0.1662489 0.5980657), wk = 0.0030211 k( 154) = ( 0.1766395 0.1766395 0.6041948), wk = 0.0030211 k( 155) = ( 0.1870300 0.1870300 0.6103239), wk = 0.0030211 k( 156) = ( 0.1974206 0.1974206 0.6164530), wk = 0.0030211 k( 157) = ( 0.2078112 0.2078112 0.6225821), wk = 0.0030211 k( 158) = ( 0.2182017 0.2182017 0.6287112), wk = 0.0030211 k( 159) = ( 0.2285923 0.2285923 0.6348404), wk = 0.0030211 k( 160) = ( 0.2389828 0.2389828 0.6409695), wk = 0.0030211 k( 161) = ( 0.2493734 0.2493734 0.6470986), wk = 0.0030211 k( 162) = ( 0.2597640 0.2597640 0.6532277), wk = 0.0030211 k( 163) = ( 0.2701545 0.2701545 0.6593568), wk = 0.0030211 k( 164) = ( 0.2805451 0.2805451 0.6654859), wk = 0.0030211 k( 165) = ( 0.2909356 0.2909356 0.6716150), wk = 0.0030211 k( 166) = ( 0.3013262 0.3013262 0.6777441), wk = 0.0030211 k( 167) = ( 0.3117167 0.3117167 0.6838732), wk = 0.0030211 k( 168) = ( 0.3221073 0.3221073 0.6900023), wk = 0.0030211 k( 169) = ( 0.3324978 0.3324978 0.6961314), wk = 0.0030211 k( 170) = ( 0.3428884 0.3428884 0.7022605), wk = 0.0030211 k( 171) = ( 0.3532790 0.3532790 0.7083896), wk = 0.0030211 k( 172) = ( 0.3636695 0.3636695 0.7145187), wk = 0.0030211 k( 173) = ( 0.3740601 0.3740601 0.7206478), wk = 0.0030211 k( 174) = ( 0.3844506 0.3844506 0.7267769), wk = 0.0030211 k( 175) = ( 0.3948412 0.3948412 0.7329060), wk = 0.0030211 k( 176) = ( 0.4052318 0.4052318 0.7390352), wk = 0.0030211 k( 177) = ( 0.4156223 0.4156223 0.7451643), wk = 0.0030211 k( 178) = ( 0.4260129 0.4260129 0.7512934), wk = 0.0030211 k( 179) = ( 0.4364034 0.4364034 0.7574225), wk = 0.0030211 k( 180) = ( 0.4467940 0.4467940 0.7635516), wk = 0.0030211 k( 181) = ( 0.4467940 0.4467940 0.7635516), wk = 0.0030211 k( 182) = ( 0.4521426 0.4521426 0.7557375), wk = 0.0030211 k( 183) = ( 0.4574911 0.4574911 0.7479234), wk = 0.0030211 k( 184) = ( 0.4628397 0.4628397 0.7401094), wk = 0.0030211 k( 185) = ( 0.5532060 -0.4467940 0.2364484), wk = 0.0030211 k( 186) = ( 0.5499786 -0.4500214 0.2187220), wk = 0.0030211 k( 187) = ( 0.5467513 -0.4532487 0.2009956), wk = 0.0030211 k( 188) = ( 0.5435239 -0.4564761 0.1832692), wk = 0.0030211 k( 189) = ( 0.5402965 -0.4597035 0.1655428), wk = 0.0030211 k( 190) = ( 0.5370692 -0.4629308 0.1478164), wk = 0.0030211 k( 191) = ( 0.5338418 -0.4661582 0.1300901), wk = 0.0030211 k( 192) = ( 0.5306144 -0.4693856 0.1123636), wk = 0.0030211 k( 193) = ( 0.5273871 -0.4726129 0.0946373), wk = 0.0030211 k( 194) = ( 0.5241597 -0.4758403 0.0769109), wk = 0.0030211 k( 195) = ( 0.5209323 -0.4790677 0.0591845), wk = 0.0030211 k( 196) = ( 0.5177050 -0.4822950 0.0414581), wk = 0.0030211 k( 197) = ( 0.5144776 -0.4855224 0.0237317), wk = 0.0030211 k( 198) = ( 0.5112502 -0.4887498 0.0060053), wk = 0.0030211 k( 199) = ( 0.5080229 -0.4919771 -0.0117211), wk = 0.0030211 k( 200) = ( 0.5080229 -0.4919771 -0.0117211), wk = 0.0030211 k( 201) = ( 0.5040114 -0.4959886 -0.0058606), wk = 0.0030211 k( 202) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030211 k( 203) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030211 k( 204) = ( 0.4900000 -0.4900000 0.0000000), wk = 0.0030211 k( 205) = ( 0.4800000 -0.4800000 0.0000000), wk = 0.0030211 k( 206) = ( 0.4700000 -0.4700000 0.0000000), wk = 0.0030211 k( 207) = ( 0.4600000 -0.4600000 -0.0000000), wk = 0.0030211 k( 208) = ( 0.4500000 -0.4500000 -0.0000000), wk = 0.0030211 k( 209) = ( 0.4400000 -0.4400000 0.0000000), wk = 0.0030211 k( 210) = ( 0.4300000 -0.4300000 0.0000000), wk = 0.0030211 k( 211) = ( 0.4200000 -0.4200000 0.0000000), wk = 0.0030211 k( 212) = ( 0.4100000 -0.4100000 0.0000000), wk = 0.0030211 k( 213) = ( 0.4000000 -0.4000000 0.0000000), wk = 0.0030211 k( 214) = ( 0.3900000 -0.3900000 0.0000000), wk = 0.0030211 k( 215) = ( 0.3800000 -0.3800000 0.0000000), wk = 0.0030211 k( 216) = ( 0.3700000 -0.3700000 0.0000000), wk = 0.0030211 k( 217) = ( 0.3600000 -0.3600000 0.0000000), wk = 0.0030211 k( 218) = ( 0.3500000 -0.3500000 0.0000000), wk = 0.0030211 k( 219) = ( 0.3400000 -0.3400000 -0.0000000), wk = 0.0030211 k( 220) = ( 0.3300000 -0.3300000 0.0000000), wk = 0.0030211 k( 221) = ( 0.3200000 -0.3200000 0.0000000), wk = 0.0030211 k( 222) = ( 0.3100000 -0.3100000 0.0000000), wk = 0.0030211 k( 223) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0030211 k( 224) = ( 0.2900000 -0.2900000 0.0000000), wk = 0.0030211 k( 225) = ( 0.2800000 -0.2800000 -0.0000000), wk = 0.0030211 k( 226) = ( 0.2700000 -0.2700000 -0.0000000), wk = 0.0030211 k( 227) = ( 0.2600000 -0.2600000 0.0000000), wk = 0.0030211 k( 228) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0030211 k( 229) = ( 0.2400000 -0.2400000 0.0000000), wk = 0.0030211 k( 230) = ( 0.2300000 -0.2300000 -0.0000000), wk = 0.0030211 k( 231) = ( 0.2200000 -0.2200000 0.0000000), wk = 0.0030211 k( 232) = ( 0.2100000 -0.2100000 0.0000000), wk = 0.0030211 k( 233) = ( 0.2000000 -0.2000000 0.0000000), wk = 0.0030211 k( 234) = ( 0.1900000 -0.1900000 0.0000000), wk = 0.0030211 k( 235) = ( 0.1800000 -0.1800000 0.0000000), wk = 0.0030211 k( 236) = ( 0.1700000 -0.1700000 -0.0000000), wk = 0.0030211 k( 237) = ( 0.1600000 -0.1600000 0.0000000), wk = 0.0030211 k( 238) = ( 0.1500000 -0.1500000 0.0000000), wk = 0.0030211 k( 239) = ( 0.1400000 -0.1400000 -0.0000000), wk = 0.0030211 k( 240) = ( 0.1300000 -0.1300000 0.0000000), wk = 0.0030211 k( 241) = ( 0.1200000 -0.1200000 0.0000000), wk = 0.0030211 k( 242) = ( 0.1100000 -0.1100000 0.0000000), wk = 0.0030211 k( 243) = ( 0.1000000 -0.1000000 0.0000000), wk = 0.0030211 k( 244) = ( 0.0900000 -0.0900000 0.0000000), wk = 0.0030211 k( 245) = ( 0.0800000 -0.0800000 0.0000000), wk = 0.0030211 k( 246) = ( 0.0700000 -0.0700000 -0.0000000), wk = 0.0030211 k( 247) = ( 0.0600000 -0.0600000 0.0000000), wk = 0.0030211 k( 248) = ( 0.0500000 -0.0500000 0.0000000), wk = 0.0030211 k( 249) = ( 0.0400000 -0.0400000 0.0000000), wk = 0.0030211 k( 250) = ( 0.0300000 -0.0300000 0.0000000), wk = 0.0030211 k( 251) = ( 0.0200000 -0.0200000 0.0000000), wk = 0.0030211 k( 252) = ( 0.0100000 -0.0100000 0.0000000), wk = 0.0030211 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 254) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 k( 255) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0030211 k( 256) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0030211 k( 257) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0030211 k( 258) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0030211 k( 259) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0030211 k( 260) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0030211 k( 261) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0030211 k( 262) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0030211 k( 263) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0030211 k( 264) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0030211 k( 265) = ( 0.1527778 -0.0000000 0.0000000), wk = 0.0030211 k( 266) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0030211 k( 267) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0030211 k( 268) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0030211 k( 269) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0030211 k( 270) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0030211 k( 271) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0030211 k( 272) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0030211 k( 273) = ( 0.2638889 -0.0000000 -0.0000000), wk = 0.0030211 k( 274) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0030211 k( 275) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0030211 k( 276) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0030211 k( 277) = ( 0.3194444 -0.0000000 0.0000000), wk = 0.0030211 k( 278) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0030211 k( 279) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0030211 k( 280) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0030211 k( 281) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0030211 k( 282) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0030211 k( 283) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0030211 k( 284) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0030211 k( 285) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0030211 k( 286) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0030211 k( 287) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0030211 k( 288) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0030211 k( 289) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0030211 k( 290) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030211 k( 291) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030211 k( 292) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0030211 k( 293) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0030211 k( 294) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0030211 k( 295) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0030211 k( 296) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0030211 k( 297) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0030211 k( 298) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0030211 k( 299) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0030211 k( 300) = ( 0.3875000 -0.0000000 0.3875000), wk = 0.0030211 k( 301) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0030211 k( 302) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0030211 k( 303) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0030211 k( 304) = ( 0.3375000 -0.0000000 0.3375000), wk = 0.0030211 k( 305) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0030211 k( 306) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0030211 k( 307) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0030211 k( 308) = ( 0.2875000 -0.0000000 0.2875000), wk = 0.0030211 k( 309) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0030211 k( 310) = ( 0.2625000 -0.0000000 0.2625000), wk = 0.0030211 k( 311) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0030211 k( 312) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0030211 k( 313) = ( 0.2250000 -0.0000000 0.2250000), wk = 0.0030211 k( 314) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0030211 k( 315) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0030211 k( 316) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0030211 k( 317) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0030211 k( 318) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0030211 k( 319) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0030211 k( 320) = ( 0.1375000 -0.0000000 0.1375000), wk = 0.0030211 k( 321) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0030211 k( 322) = ( 0.1125000 -0.0000000 0.1125000), wk = 0.0030211 k( 323) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0030211 k( 324) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0030211 k( 325) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0030211 k( 326) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0030211 k( 327) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0030211 k( 328) = ( 0.0375000 -0.0000000 0.0375000), wk = 0.0030211 k( 329) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0030211 k( 330) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0030211 k( 331) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030211 Dense grid: 76601 G-vectors FFT dimensions: ( 50, 50, 64) Smooth grid: 33793 G-vectors FFT dimensions: ( 40, 40, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 254, 48) NL pseudopotentials 0.29 Mb ( 127, 148) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.02 Mb ( 2130) G-vector shells 0.02 Mb ( 2130) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 254, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.22 Mb ( 148, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./KPH2SO3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.5 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.3 secs Computing kpt #: 18 total cpu time spent up to now is 15.0 secs Computing kpt #: 19 total cpu time spent up to now is 15.6 secs Computing kpt #: 20 total cpu time spent up to now is 16.2 secs Computing kpt #: 21 total cpu time spent up to now is 16.8 secs Computing kpt #: 22 total cpu time spent up to now is 17.3 secs Computing kpt #: 23 total cpu time spent up to now is 18.0 secs Computing kpt #: 24 total cpu time spent up to now is 18.6 secs Computing kpt #: 25 total cpu time spent up to now is 19.2 secs Computing kpt #: 26 total cpu time spent up to now is 19.8 secs Computing kpt #: 27 total cpu time spent up to now is 20.3 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.5 secs Computing kpt #: 30 total cpu time spent up to now is 22.0 secs Computing kpt #: 31 total cpu time spent up to now is 22.5 secs Computing kpt #: 32 total cpu time spent up to now is 23.1 secs Computing kpt #: 33 total cpu time spent up to now is 23.6 secs Computing kpt #: 34 total cpu time spent up to now is 24.2 secs Computing kpt #: 35 total cpu time spent up to now is 24.8 secs Computing kpt #: 36 total cpu time spent up to now is 25.4 secs Computing kpt #: 37 total cpu time spent up to now is 25.9 secs Computing kpt #: 38 total cpu time spent up to now is 26.5 secs Computing kpt #: 39 total cpu time spent up to now is 27.1 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.3 secs Computing kpt #: 42 total cpu time spent up to now is 28.9 secs Computing kpt #: 43 total cpu time spent up to now is 29.4 secs Computing kpt #: 44 total cpu time spent up to now is 30.0 secs Computing kpt #: 45 total cpu time spent up to now is 30.6 secs Computing kpt #: 46 total cpu time spent up to now is 31.1 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 32.8 secs Computing kpt #: 50 total cpu time spent up to now is 33.4 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.0 secs Computing kpt #: 54 total cpu time spent up to now is 35.6 secs Computing kpt #: 55 total cpu time spent up to now is 36.2 secs Computing kpt #: 56 total cpu time spent up to now is 36.7 secs Computing kpt #: 57 total cpu time spent up to now is 37.3 secs Computing kpt #: 58 total cpu time spent up to now is 37.9 secs Computing kpt #: 59 total cpu time spent up to now is 38.4 secs Computing kpt #: 60 total cpu time spent up to now is 39.0 secs Computing kpt #: 61 total cpu time spent up to now is 39.6 secs Computing kpt #: 62 total cpu time spent up to now is 40.2 secs Computing kpt #: 63 total cpu time spent up to now is 40.8 secs Computing kpt #: 64 total cpu time spent up to now is 41.5 secs Computing kpt #: 65 total cpu time spent up to now is 42.2 secs Computing kpt #: 66 total cpu time spent up to now is 42.8 secs Computing kpt #: 67 total cpu time spent up to now is 43.4 secs Computing kpt #: 68 total cpu time spent up to now is 44.1 secs Computing kpt #: 69 total cpu time spent up to now is 44.7 secs Computing kpt #: 70 total cpu time spent up to now is 45.3 secs Computing kpt #: 71 total cpu time spent up to now is 46.0 secs Computing kpt #: 72 total cpu time spent up to now is 46.7 secs Computing kpt #: 73 total cpu time spent up to now is 47.3 secs Computing kpt #: 74 total cpu time spent up to now is 47.9 secs Computing kpt #: 75 total cpu time spent up to now is 48.5 secs Computing kpt #: 76 total cpu time spent up to now is 49.2 secs Computing kpt #: 77 total cpu time spent up to now is 49.9 secs Computing kpt #: 78 total cpu time spent up to now is 50.6 secs Computing kpt #: 79 total cpu time spent up to now is 51.3 secs Computing kpt #: 80 total cpu time spent up to now is 52.0 secs Computing kpt #: 81 total cpu time spent up to now is 52.7 secs Computing kpt #: 82 total cpu time spent up to now is 53.4 secs Computing kpt #: 83 total cpu time spent up to now is 54.1 secs Computing kpt #: 84 total cpu time spent up to now is 54.7 secs Computing kpt #: 85 total cpu time spent up to now is 55.5 secs Computing kpt #: 86 total cpu time spent up to now is 56.2 secs Computing kpt #: 87 total cpu time spent up to now is 56.9 secs Computing kpt #: 88 total cpu time spent up to now is 57.6 secs Computing kpt #: 89 total cpu time spent up to now is 58.2 secs Computing kpt #: 90 total cpu time spent up to now is 58.9 secs Computing kpt #: 91 total cpu time spent up to now is 59.7 secs Computing kpt #: 92 total cpu time spent up to now is 60.4 secs Computing kpt #: 93 total cpu time spent up to now is 61.1 secs Computing kpt #: 94 total cpu time spent up to now is 61.8 secs Computing kpt #: 95 total cpu time spent up to now is 62.5 secs Computing kpt #: 96 total cpu time spent up to now is 63.3 secs Computing kpt #: 97 total cpu time spent up to now is 64.0 secs Computing kpt #: 98 total cpu time spent up to now is 64.7 secs Computing kpt #: 99 total cpu time spent up to now is 65.5 secs Computing kpt #: 100 total cpu time spent up to now is 66.3 secs Computing kpt #: 101 total cpu time spent up to now is 67.0 secs Computing kpt #: 102 total cpu time spent up to now is 67.8 secs Computing kpt #: 103 total cpu time spent up to now is 68.7 secs Computing kpt #: 104 total cpu time spent up to now is 69.5 secs Computing kpt #: 105 total cpu time spent up to now is 70.4 secs Computing kpt #: 106 total cpu time spent up to now is 71.4 secs Computing kpt #: 107 total cpu time spent up to now is 72.3 secs Computing kpt #: 108 total cpu time spent up to now is 73.1 secs Computing kpt #: 109 total cpu time spent up to now is 73.9 secs Computing kpt #: 110 total cpu time spent up to now is 74.6 secs Computing kpt #: 111 total cpu time spent up to now is 75.3 secs Computing kpt #: 112 total cpu time spent up to now is 76.0 secs Computing kpt #: 113 total cpu time spent up to now is 76.7 secs Computing kpt #: 114 total cpu time spent up to now is 77.5 secs Computing kpt #: 115 total cpu time spent up to now is 78.3 secs Computing kpt #: 116 total cpu time spent up to now is 79.0 secs Computing kpt #: 117 total cpu time spent up to now is 79.8 secs Computing kpt #: 118 total cpu time spent up to now is 80.5 secs Computing kpt #: 119 total cpu time spent up to now is 81.2 secs Computing kpt #: 120 total cpu time spent up to now is 82.0 secs Computing kpt #: 121 total cpu time spent up to now is 82.7 secs Computing kpt #: 122 total cpu time spent up to now is 83.5 secs Computing kpt #: 123 total cpu time spent up to now is 84.2 secs Computing kpt #: 124 total cpu time spent up to now is 85.0 secs Computing kpt #: 125 total cpu time spent up to now is 85.9 secs Computing kpt #: 126 total cpu time spent up to now is 86.6 secs Computing kpt #: 127 total cpu time spent up to now is 87.4 secs Computing kpt #: 128 total cpu time spent up to now is 88.2 secs Computing kpt #: 129 total cpu time spent up to now is 89.0 secs Computing kpt #: 130 total cpu time spent up to now is 89.7 secs Computing kpt #: 131 total cpu time spent up to now is 90.5 secs Computing kpt #: 132 total cpu time spent up to now is 91.3 secs Computing kpt #: 133 total cpu time spent up to now is 92.2 secs Computing kpt #: 134 total cpu time spent up to now is 93.1 secs Computing kpt #: 135 total cpu time spent up to now is 93.9 secs Computing kpt #: 136 total cpu time spent up to now is 94.8 secs Computing kpt #: 137 total cpu time spent up to now is 95.7 secs Computing kpt #: 138 total cpu time spent up to now is 96.5 secs Computing kpt #: 139 total cpu time spent up to now is 97.2 secs Computing kpt #: 140 total cpu time spent up to now is 98.0 secs Computing kpt #: 141 total cpu time spent up to now is 98.7 secs Computing kpt #: 142 total cpu time spent up to now is 99.4 secs Computing kpt #: 143 total cpu time spent up to now is 100.2 secs Computing kpt #: 144 total cpu time spent up to now is 100.9 secs Computing kpt #: 145 total cpu time spent up to now is 101.6 secs Computing kpt #: 146 total cpu time spent up to now is 102.3 secs Computing kpt #: 147 total cpu time spent up to now is 103.0 secs Computing kpt #: 148 total cpu time spent up to now is 103.7 secs Computing kpt #: 149 total cpu time spent up to now is 104.3 secs Computing kpt #: 150 total cpu time spent up to now is 105.1 secs Computing kpt #: 151 total cpu time spent up to now is 105.7 secs Computing kpt #: 152 total cpu time spent up to now is 106.4 secs Computing kpt #: 153 total cpu time spent up to now is 107.1 secs Computing kpt #: 154 total cpu time spent up to now is 107.8 secs Computing kpt #: 155 total cpu time spent up to now is 108.4 secs Computing kpt #: 156 total cpu time spent up to now is 109.1 secs Computing kpt #: 157 total cpu time spent up to now is 109.7 secs Computing kpt #: 158 total cpu time spent up to now is 110.4 secs Computing kpt #: 159 total cpu time spent up to now is 111.1 secs Computing kpt #: 160 total cpu time spent up to now is 111.8 secs Computing kpt #: 161 total cpu time spent up to now is 112.5 secs Computing kpt #: 162 total cpu time spent up to now is 113.2 secs Computing kpt #: 163 total cpu time spent up to now is 113.9 secs Computing kpt #: 164 total cpu time spent up to now is 114.7 secs Computing kpt #: 165 total cpu time spent up to now is 115.4 secs Computing kpt #: 166 total cpu time spent up to now is 116.1 secs Computing kpt #: 167 total cpu time spent up to now is 116.9 secs Computing kpt #: 168 total cpu time spent up to now is 117.6 secs Computing kpt #: 169 total cpu time spent up to now is 118.4 secs Computing kpt #: 170 total cpu time spent up to now is 119.1 secs Computing kpt #: 171 total cpu time spent up to now is 119.8 secs Computing kpt #: 172 total cpu time spent up to now is 120.5 secs Computing kpt #: 173 total cpu time spent up to now is 121.2 secs Computing kpt #: 174 total cpu time spent up to now is 121.9 secs Computing kpt #: 175 total cpu time spent up to now is 122.7 secs Computing kpt #: 176 total cpu time spent up to now is 123.4 secs Computing kpt #: 177 total cpu time spent up to now is 124.0 secs Computing kpt #: 178 total cpu time spent up to now is 124.8 secs Computing kpt #: 179 total cpu time spent up to now is 125.5 secs Computing kpt #: 180 total cpu time spent up to now is 126.1 secs Computing kpt #: 181 total cpu time spent up to now is 126.7 secs Computing kpt #: 182 total cpu time spent up to now is 127.4 secs Computing kpt #: 183 total cpu time spent up to now is 128.1 secs Computing kpt #: 184 total cpu time spent up to now is 128.7 secs Computing kpt #: 185 total cpu time spent up to now is 129.4 secs Computing kpt #: 186 total cpu time spent up to now is 130.1 secs Computing kpt #: 187 total cpu time spent up to now is 130.7 secs Computing kpt #: 188 total cpu time spent up to now is 131.3 secs Computing kpt #: 189 total cpu time spent up to now is 131.9 secs Computing kpt #: 190 total cpu time spent up to now is 132.4 secs Computing kpt #: 191 total cpu time spent up to now is 133.1 secs Computing kpt #: 192 total cpu time spent up to now is 133.6 secs Computing kpt #: 193 total cpu time spent up to now is 134.2 secs Computing kpt #: 194 total cpu time spent up to now is 134.7 secs Computing kpt #: 195 total cpu time spent up to now is 135.3 secs Computing kpt #: 196 total cpu time spent up to now is 135.8 secs Computing kpt #: 197 total cpu time spent up to now is 136.4 secs Computing kpt #: 198 total cpu time spent up to now is 137.0 secs Computing kpt #: 199 total cpu time spent up to now is 137.6 secs Computing kpt #: 200 total cpu time spent up to now is 138.2 secs Computing kpt #: 201 total cpu time spent up to now is 138.8 secs Computing kpt #: 202 total cpu time spent up to now is 139.4 secs Computing kpt #: 203 total cpu time spent up to now is 140.0 secs Computing kpt #: 204 total cpu time spent up to now is 140.5 secs Computing kpt #: 205 total cpu time spent up to now is 141.1 secs Computing kpt #: 206 total cpu time spent up to now is 141.7 secs Computing kpt #: 207 total cpu time spent up to now is 142.3 secs Computing kpt #: 208 total cpu time spent up to now is 142.8 secs Computing kpt #: 209 total cpu time spent up to now is 143.4 secs Computing kpt #: 210 total cpu time spent up to now is 143.9 secs Computing kpt #: 211 total cpu time spent up to now is 144.5 secs Computing kpt #: 212 total cpu time spent up to now is 145.0 secs Computing kpt #: 213 total cpu time spent up to now is 145.6 secs Computing kpt #: 214 total cpu time spent up to now is 146.2 secs Computing kpt #: 215 total cpu time spent up to now is 146.7 secs Computing kpt #: 216 total cpu time spent up to now is 147.2 secs Computing kpt #: 217 total cpu time spent up to now is 147.8 secs Computing kpt #: 218 total cpu time spent up to now is 148.5 secs Computing kpt #: 219 total cpu time spent up to now is 149.1 secs Computing kpt #: 220 total cpu time spent up to now is 149.6 secs Computing kpt #: 221 total cpu time spent up to now is 150.2 secs Computing kpt #: 222 total cpu time spent up to now is 150.8 secs Computing kpt #: 223 total cpu time spent up to now is 151.4 secs Computing kpt #: 224 total cpu time spent up to now is 152.1 secs Computing kpt #: 225 total cpu time spent up to now is 152.6 secs Computing kpt #: 226 total cpu time spent up to now is 153.2 secs Computing kpt #: 227 total cpu time spent up to now is 153.8 secs Computing kpt #: 228 total cpu time spent up to now is 154.4 secs Computing kpt #: 229 total cpu time spent up to now is 155.0 secs Computing kpt #: 230 total cpu time spent up to now is 155.6 secs Computing kpt #: 231 total cpu time spent up to now is 156.3 secs Computing kpt #: 232 total cpu time spent up to now is 156.8 secs Computing kpt #: 233 total cpu time spent up to now is 157.4 secs Computing kpt #: 234 total cpu time spent up to now is 158.0 secs Computing kpt #: 235 total cpu time spent up to now is 158.7 secs Computing kpt #: 236 total cpu time spent up to now is 159.3 secs Computing kpt #: 237 total cpu time spent up to now is 160.0 secs Computing kpt #: 238 total cpu time spent up to now is 160.6 secs Computing kpt #: 239 total cpu time spent up to now is 161.3 secs Computing kpt #: 240 total cpu time spent up to now is 161.9 secs Computing kpt #: 241 total cpu time spent up to now is 162.5 secs Computing kpt #: 242 total cpu time spent up to now is 163.1 secs Computing kpt #: 243 total cpu time spent up to now is 163.8 secs Computing kpt #: 244 total cpu time spent up to now is 164.5 secs Computing kpt #: 245 total cpu time spent up to now is 165.2 secs Computing kpt #: 246 total cpu time spent up to now is 165.9 secs Computing kpt #: 247 total cpu time spent up to now is 166.6 secs Computing kpt #: 248 total cpu time spent up to now is 167.4 secs Computing kpt #: 249 total cpu time spent up to now is 168.1 secs Computing kpt #: 250 total cpu time spent up to now is 168.9 secs Computing kpt #: 251 total cpu time spent up to now is 169.6 secs Computing kpt #: 252 total cpu time spent up to now is 170.5 secs Computing kpt #: 253 total cpu time spent up to now is 171.1 secs Computing kpt #: 254 total cpu time spent up to now is 171.7 secs Computing kpt #: 255 total cpu time spent up to now is 172.4 secs Computing kpt #: 256 total cpu time spent up to now is 173.2 secs Computing kpt #: 257 total cpu time spent up to now is 173.9 secs Computing kpt #: 258 total cpu time spent up to now is 174.6 secs Computing kpt #: 259 total cpu time spent up to now is 175.5 secs Computing kpt #: 260 total cpu time spent up to now is 176.4 secs Computing kpt #: 261 total cpu time spent up to now is 177.2 secs Computing kpt #: 262 total cpu time spent up to now is 177.9 secs Computing kpt #: 263 total cpu time spent up to now is 178.6 secs Computing kpt #: 264 total cpu time spent up to now is 179.3 secs Computing kpt #: 265 total cpu time spent up to now is 180.0 secs Computing kpt #: 266 total cpu time spent up to now is 180.7 secs Computing kpt #: 267 total cpu time spent up to now is 181.3 secs Computing kpt #: 268 total cpu time spent up to now is 182.0 secs Computing kpt #: 269 total cpu time spent up to now is 182.6 secs Computing kpt #: 270 total cpu time spent up to now is 183.3 secs Computing kpt #: 271 total cpu time spent up to now is 183.9 secs Computing kpt #: 272 total cpu time spent up to now is 184.5 secs Computing kpt #: 273 total cpu time spent up to now is 185.0 secs Computing kpt #: 274 total cpu time spent up to now is 185.6 secs Computing kpt #: 275 total cpu time spent up to now is 186.2 secs Computing kpt #: 276 total cpu time spent up to now is 186.8 secs Computing kpt #: 277 total cpu time spent up to now is 187.4 secs Computing kpt #: 278 total cpu time spent up to now is 187.9 secs Computing kpt #: 279 total cpu time spent up to now is 188.5 secs Computing kpt #: 280 total cpu time spent up to now is 189.0 secs Computing kpt #: 281 total cpu time spent up to now is 189.6 secs Computing kpt #: 282 total cpu time spent up to now is 190.2 secs Computing kpt #: 283 total cpu time spent up to now is 190.9 secs Computing kpt #: 284 total cpu time spent up to now is 191.5 secs Computing kpt #: 285 total cpu time spent up to now is 192.2 secs Computing kpt #: 286 total cpu time spent up to now is 192.9 secs Computing kpt #: 287 total cpu time spent up to now is 193.6 secs Computing kpt #: 288 total cpu time spent up to now is 194.3 secs Computing kpt #: 289 total cpu time spent up to now is 195.0 secs Computing kpt #: 290 total cpu time spent up to now is 195.7 secs Computing kpt #: 291 total cpu time spent up to now is 196.5 secs Computing kpt #: 292 total cpu time spent up to now is 197.3 secs Computing kpt #: 293 total cpu time spent up to now is 198.0 secs Computing kpt #: 294 total cpu time spent up to now is 198.8 secs Computing kpt #: 295 total cpu time spent up to now is 199.6 secs Computing kpt #: 296 total cpu time spent up to now is 200.3 secs Computing kpt #: 297 total cpu time spent up to now is 201.0 secs Computing kpt #: 298 total cpu time spent up to now is 201.7 secs Computing kpt #: 299 total cpu time spent up to now is 202.4 secs Computing kpt #: 300 total cpu time spent up to now is 203.0 secs Computing kpt #: 301 total cpu time spent up to now is 203.7 secs Computing kpt #: 302 total cpu time spent up to now is 204.2 secs Computing kpt #: 303 total cpu time spent up to now is 204.8 secs Computing kpt #: 304 total cpu time spent up to now is 205.4 secs Computing kpt #: 305 total cpu time spent up to now is 206.0 secs Computing kpt #: 306 total cpu time spent up to now is 206.6 secs Computing kpt #: 307 total cpu time spent up to now is 207.2 secs Computing kpt #: 308 total cpu time spent up to now is 207.7 secs Computing kpt #: 309 total cpu time spent up to now is 208.3 secs Computing kpt #: 310 total cpu time spent up to now is 208.8 secs Computing kpt #: 311 total cpu time spent up to now is 209.4 secs Computing kpt #: 312 total cpu time spent up to now is 210.0 secs Computing kpt #: 313 total cpu time spent up to now is 210.6 secs Computing kpt #: 314 total cpu time spent up to now is 211.2 secs Computing kpt #: 315 total cpu time spent up to now is 211.9 secs Computing kpt #: 316 total cpu time spent up to now is 212.5 secs Computing kpt #: 317 total cpu time spent up to now is 213.1 secs Computing kpt #: 318 total cpu time spent up to now is 213.7 secs Computing kpt #: 319 total cpu time spent up to now is 214.4 secs Computing kpt #: 320 total cpu time spent up to now is 215.0 secs Computing kpt #: 321 total cpu time spent up to now is 215.7 secs Computing kpt #: 322 total cpu time spent up to now is 216.4 secs Computing kpt #: 323 total cpu time spent up to now is 217.2 secs Computing kpt #: 324 total cpu time spent up to now is 217.9 secs Computing kpt #: 325 total cpu time spent up to now is 218.6 secs Computing kpt #: 326 total cpu time spent up to now is 219.4 secs Computing kpt #: 327 total cpu time spent up to now is 220.2 secs Computing kpt #: 328 total cpu time spent up to now is 220.9 secs Computing kpt #: 329 total cpu time spent up to now is 221.6 secs Computing kpt #: 330 total cpu time spent up to now is 222.3 secs Computing kpt #: 331 total cpu time spent up to now is 223.0 secs ethr = 2.50E-08, avg # of iterations = 26.2 total cpu time spent up to now is 223.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4219 PWs) bands (ev): -25.3509 -25.3509 -20.0735 -20.0735 -18.9812 -18.9812 -15.3544 -15.3544 -9.7065 -9.7065 -9.0319 -9.0319 -8.7929 -8.7929 -8.7558 -8.7558 -8.1067 -8.1067 -6.2282 -6.2282 -3.6949 -3.6949 -2.1787 -2.1787 -2.0858 -2.0858 -0.7933 -0.7933 -0.6720 -0.6720 0.1264 0.1264 1.1438 1.1438 1.5500 1.5500 2.5515 2.5515 2.7478 2.7478 7.5239 7.5239 9.2121 9.2121 9.2839 9.2839 9.8840 9.8840 k = 0.0098 0.0095-0.0046 ( 4223 PWs) bands (ev): -25.3509 -25.3509 -20.0734 -20.0734 -18.9813 -18.9813 -15.3548 -15.3548 -9.7063 -9.7061 -9.0320 -9.0317 -8.7935 -8.7922 -8.7559 -8.7557 -8.1069 -8.1062 -6.2277 -6.2277 -3.6948 -3.6948 -2.1789 -2.1789 -2.0863 -2.0863 -0.7935 -0.7934 -0.6718 -0.6717 0.1259 0.1261 1.1438 1.1442 1.5494 1.5498 2.5511 2.5512 2.7469 2.7470 7.5268 7.5271 9.2133 9.2133 9.2842 9.2846 9.8805 9.8811 k = 0.0197 0.0190-0.0091 ( 4227 PWs) bands (ev): -25.3509 -25.3509 -20.0728 -20.0728 -18.9816 -18.9816 -15.3562 -15.3561 -9.7057 -9.7052 -9.0320 -9.0315 -8.7939 -8.7914 -8.7561 -8.7556 -8.1070 -8.1055 -6.2263 -6.2263 -3.6947 -3.6946 -2.1796 -2.1796 -2.0877 -2.0877 -0.7940 -0.7938 -0.6711 -0.6708 0.1244 0.1250 1.1443 1.1449 1.5481 1.5487 2.5502 2.5504 2.7445 2.7446 7.5356 7.5363 9.2169 9.2169 9.2856 9.2863 9.8708 9.8720 k = 0.0295 0.0285-0.0137 ( 4225 PWs) bands (ev): -25.3509 -25.3509 -20.0719 -20.0718 -18.9821 -18.9821 -15.3583 -15.3582 -9.7045 -9.7038 -9.0320 -9.0313 -8.7941 -8.7905 -8.7562 -8.7556 -8.1067 -8.1046 -6.2239 -6.2239 -3.6944 -3.6943 -2.1807 -2.1807 -2.0900 -2.0900 -0.7948 -0.7945 -0.6699 -0.6694 0.1222 0.1230 1.1451 1.1461 1.5459 1.5469 2.5487 2.5489 2.7405 2.7407 7.5503 7.5514 9.2228 9.2229 9.2880 9.2890 9.8553 9.8571 k = 0.0394 0.0380-0.0182 ( 4223 PWs) bands (ev): -25.3508 -25.3508 -20.0706 -20.0705 -18.9827 -18.9827 -15.3614 -15.3612 -9.7028 -9.7019 -9.0318 -9.0310 -8.7941 -8.7895 -8.7564 -8.7557 -8.1062 -8.1035 -6.2206 -6.2205 -3.6941 -3.6939 -2.1823 -2.1822 -2.0932 -2.0932 -0.7960 -0.7955 -0.6682 -0.6675 0.1191 0.1203 1.1463 1.1476 1.5429 1.5442 2.5466 2.5469 2.7351 2.7353 7.5708 7.5722 9.2311 9.2311 9.2914 9.2927 9.8348 9.8371 k = 0.0492 0.0475-0.0228 ( 4223 PWs) bands (ev): -25.3508 -25.3508 -20.0689 -20.0689 -18.9835 -18.9835 -15.3653 -15.3651 -9.7006 -9.6995 -9.0315 -9.0308 -8.7939 -8.7885 -8.7566 -8.7557 -8.1055 -8.1022 -6.2163 -6.2163 -3.6936 -3.6934 -2.1843 -2.1842 -2.0974 -2.0973 -0.7974 -0.7968 -0.6660 -0.6652 0.1152 0.1167 1.1478 1.1495 1.5392 1.5408 2.5439 2.5444 2.7284 2.7286 7.5968 7.5986 9.2415 9.2416 9.2958 9.2973 9.8102 9.8128 k = 0.0590 0.0569-0.0273 ( 4225 PWs) bands (ev): -25.3507 -25.3507 -20.0669 -20.0668 -18.9845 -18.9845 -15.3700 -15.3698 -9.6979 -9.6965 -9.0310 -9.0305 -8.7935 -8.7875 -8.7568 -8.7558 -8.1045 -8.1006 -6.2111 -6.2111 -3.6931 -3.6929 -2.1867 -2.1867 -2.1024 -2.1023 -0.7992 -0.7985 -0.6633 -0.6623 0.1106 0.1124 1.1498 1.1517 1.5346 1.5365 2.5407 2.5413 2.7204 2.7207 7.6281 7.6302 9.2541 9.2542 9.3011 9.3029 9.7824 9.7853 k = 0.0689 0.0664-0.0319 ( 4228 PWs) bands (ev): -25.3506 -25.3506 -20.0645 -20.0644 -18.9857 -18.9857 -15.3755 -15.3753 -9.6947 -9.6931 -9.0305 -9.0303 -8.7928 -8.7865 -8.7570 -8.7560 -8.1033 -8.0989 -6.2051 -6.2050 -3.6925 -3.6922 -2.1896 -2.1895 -2.1083 -2.1083 -0.8014 -0.8006 -0.6601 -0.6589 0.1054 0.1074 1.1521 1.1543 1.5293 1.5315 2.5371 2.5377 2.7114 2.7117 7.6643 7.6668 9.2686 9.2688 9.3072 9.3092 9.7526 9.7557 k = 0.0787 0.0759-0.0364 ( 4232 PWs) bands (ev): -25.3505 -25.3505 -20.0618 -20.0617 -18.9871 -18.9871 -15.3818 -15.3815 -9.6911 -9.6892 -9.0302 -9.0297 -8.7919 -8.7855 -8.7572 -8.7562 -8.1018 -8.0969 -6.1981 -6.1981 -3.6918 -3.6916 -2.1929 -2.1928 -2.1152 -2.1151 -0.8040 -0.8030 -0.6564 -0.6551 0.0994 0.1018 1.1547 1.1572 1.5232 1.5257 2.5330 2.5337 2.7015 2.7019 7.7051 7.7079 9.2849 9.2852 9.3140 9.3161 9.7217 9.7249 k = 0.0886 0.0854-0.0410 ( 4232 PWs) bands (ev): -25.3504 -25.3504 -20.0587 -20.0586 -18.9886 -18.9886 -15.3889 -15.3886 -9.6870 -9.6848 -9.0301 -9.0289 -8.7907 -8.7846 -8.7573 -8.7564 -8.1000 -8.0947 -6.1903 -6.1903 -3.6912 -3.6908 -2.1966 -2.1965 -2.1229 -2.1228 -0.8070 -0.8059 -0.6523 -0.6507 0.0930 0.0956 1.1577 1.1605 1.5164 1.5192 2.5285 2.5293 2.6910 2.6913 7.7500 7.7532 9.3025 9.3033 9.3214 9.3234 9.6911 9.6943 k = 0.0984 0.0949-0.0455 ( 4231 PWs) bands (ev): -25.3503 -25.3503 -20.0553 -20.0552 -18.9902 -18.9902 -15.3968 -15.3964 -9.6825 -9.6800 -9.0300 -9.0278 -8.7892 -8.7837 -8.7575 -8.7567 -8.0979 -8.0923 -6.1817 -6.1816 -3.6905 -3.6901 -2.2007 -2.2006 -2.1315 -2.1314 -0.8105 -0.8092 -0.6476 -0.6460 0.0860 0.0889 1.1610 1.1641 1.5089 1.5120 2.5236 2.5245 2.6799 2.6803 7.7986 7.8021 9.3201 9.3224 9.3304 9.3310 9.6619 9.6649 k = 0.1082 0.1044-0.0501 ( 4223 PWs) bands (ev): -25.3502 -25.3502 -20.0516 -20.0515 -18.9920 -18.9920 -15.4053 -15.4049 -9.6776 -9.6747 -9.0301 -9.0267 -8.7875 -8.7829 -8.7576 -8.7570 -8.0956 -8.0897 -6.1722 -6.1722 -3.6898 -3.6894 -2.2052 -2.2051 -2.1410 -2.1408 -0.8143 -0.8129 -0.6426 -0.6408 0.0786 0.0818 1.1647 1.1680 1.5007 1.5040 2.5185 2.5194 2.6685 2.6689 7.8503 7.8542 9.3315 9.3355 9.3451 9.3463 9.6355 9.6382 k = 0.1181 0.1139-0.0546 ( 4221 PWs) bands (ev): -25.3501 -25.3501 -20.0475 -20.0474 -18.9940 -18.9940 -15.4145 -15.4141 -9.6722 -9.6690 -9.0301 -9.0254 -8.7857 -8.7822 -8.7577 -8.7573 -8.0929 -8.0869 -6.1620 -6.1619 -3.6891 -3.6888 -2.2101 -2.2100 -2.1513 -2.1511 -0.8185 -0.8170 -0.6371 -0.6351 0.0709 0.0743 1.1686 1.1721 1.4918 1.4954 2.5130 2.5140 2.6569 2.6574 7.9047 7.9090 9.3372 9.3406 9.3668 9.3674 9.6135 9.6157 k = 0.1279 0.1234-0.0592 ( 4227 PWs) bands (ev): -25.3499 -25.3499 -20.0432 -20.0431 -18.9961 -18.9961 -15.4244 -15.4240 -9.6665 -9.6629 -9.0303 -9.0240 -8.7837 -8.7816 -8.7577 -8.7575 -8.0900 -8.0838 -6.1510 -6.1510 -3.6886 -3.6882 -2.2154 -2.2153 -2.1624 -2.1623 -0.8232 -0.8215 -0.6312 -0.6291 0.0628 0.0665 1.1727 1.1765 1.4823 1.4861 2.5074 2.5084 2.6454 2.6459 7.9612 7.9658 9.3397 9.3425 9.3898 9.3902 9.5976 9.5990 k = 0.1378 0.1329-0.0637 ( 4235 PWs) bands (ev): -25.3498 -25.3498 -20.0386 -20.0385 -18.9983 -18.9983 -15.4349 -15.4344 -9.6604 -9.6564 -9.0306 -9.0225 -8.7816 -8.7811 -8.7578 -8.7577 -8.0867 -8.0806 -6.1394 -6.1394 -3.6881 -3.6877 -2.2211 -2.2209 -2.1745 -2.1743 -0.8282 -0.8263 -0.6249 -0.6226 0.0545 0.0585 1.1771 1.1811 1.4722 1.4763 2.5015 2.5027 2.6340 2.6345 8.0192 8.0241 9.3387 9.3408 9.4136 9.4138 9.5893 9.5897 k = 0.1476 0.1424-0.0683 ( 4237 PWs) bands (ev): -25.3496 -25.3496 -20.0337 -20.0336 -19.0007 -19.0006 -15.4459 -15.4455 -9.6540 -9.6496 -9.0309 -9.0209 -8.7806 -8.7795 -8.7578 -8.7578 -8.0831 -8.0770 -6.1271 -6.1271 -3.6877 -3.6873 -2.2271 -2.2270 -2.1873 -2.1871 -0.8335 -0.8315 -0.6182 -0.6158 0.0461 0.0503 1.1817 1.1859 1.4616 1.4658 2.4956 2.4967 2.6230 2.6235 8.0780 8.0833 9.3338 9.3351 9.4381 9.4382 9.5886 9.5893 k = 0.1574 0.1519-0.0728 ( 4241 PWs) bands (ev): -25.3495 -25.3495 -20.0286 -20.0284 -19.0031 -19.0031 -15.4575 -15.4570 -9.6472 -9.6424 -9.0313 -9.0193 -8.7803 -8.7776 -8.7578 -8.7577 -8.0792 -8.0732 -6.1142 -6.1141 -3.6875 -3.6870 -2.2335 -2.2334 -2.2008 -2.2007 -0.8391 -0.8370 -0.6112 -0.6087 0.0375 0.0420 1.1865 1.1908 1.4504 1.4549 2.4895 2.4907 2.6123 2.6129 8.1370 8.1426 9.3257 9.3263 9.4630 9.4630 9.5955 9.5973 k = 0.1673 0.1613-0.0774 ( 4239 PWs) bands (ev): -25.3493 -25.3493 -20.0232 -20.0230 -19.0056 -19.0056 -15.4696 -15.4691 -9.6402 -9.6349 -9.0317 -9.0176 -8.7800 -8.7758 -8.7578 -8.7573 -8.0750 -8.0691 -6.1007 -6.1006 -3.6874 -3.6870 -2.2402 -2.2402 -2.2151 -2.2150 -0.8450 -0.8427 -0.6038 -0.6012 0.0289 0.0336 1.1915 1.1959 1.4388 1.4435 2.4834 2.4847 2.6022 2.6028 8.1957 8.2016 9.3157 9.3158 9.4881 9.4882 9.6096 9.6124 k = 0.1771 0.1708-0.0819 ( 4238 PWs) bands (ev): -25.3492 -25.3492 -20.0176 -20.0174 -19.0083 -19.0082 -15.4821 -15.4816 -9.6328 -9.6271 -9.0322 -9.0159 -8.7799 -8.7744 -8.7578 -8.7565 -8.0704 -8.0648 -6.0867 -6.0866 -3.6876 -3.6871 -2.2475 -2.2475 -2.2300 -2.2300 -0.8509 -0.8485 -0.5961 -0.5934 0.0203 0.0252 1.1965 1.2011 1.4268 1.4316 2.4773 2.4786 2.5927 2.5933 8.2533 8.2594 9.3050 9.3052 9.5134 9.5135 9.6298 9.6334 k = 0.1870 0.1803-0.0865 ( 4239 PWs) bands (ev): -25.3490 -25.3490 -20.0118 -20.0116 -19.0110 -19.0110 -15.4951 -15.4945 -9.6252 -9.6190 -9.0328 -9.0142 -8.7798 -8.7735 -8.7578 -8.7552 -8.0655 -8.0601 -6.0722 -6.0721 -3.6879 -3.6875 -2.2559 -2.2555 -2.2451 -2.2448 -0.8570 -0.8545 -0.5882 -0.5854 0.0117 0.0168 1.2017 1.2064 1.4145 1.4194 2.4712 2.4725 2.5839 2.5845 8.3093 8.3156 9.2952 9.2957 9.5387 9.5389 9.6548 9.6590 k = 0.1968 0.1898-0.0910 ( 4236 PWs) bands (ev): -25.3488 -25.3488 -20.0058 -20.0056 -19.0137 -19.0137 -15.5083 -15.5078 -9.6173 -9.6107 -9.0334 -9.0125 -8.7798 -8.7731 -8.7579 -8.7535 -8.0602 -8.0551 -6.0572 -6.0572 -3.6886 -3.6881 -2.2674 -2.2666 -2.2582 -2.2575 -0.8630 -0.8604 -0.5800 -0.5771 0.0032 0.0084 1.2069 1.2116 1.4019 1.4069 2.4652 2.4665 2.5758 2.5765 8.3631 8.3696 9.2874 9.2881 9.5640 9.5642 9.6838 9.6885 k = 0.2066 0.1993-0.0956 ( 4231 PWs) bands (ev): -25.3486 -25.3486 -19.9996 -19.9994 -19.0166 -19.0166 -15.5219 -15.5213 -9.6092 -9.6021 -9.0341 -9.0109 -8.7799 -8.7730 -8.7579 -8.7515 -8.0546 -8.0497 -6.0419 -6.0418 -3.6895 -3.6890 -2.2831 -2.2823 -2.2676 -2.2669 -0.8689 -0.8662 -0.5716 -0.5686 -0.0053 0.0002 1.2121 1.2169 1.3891 1.3942 2.4592 2.4605 2.5685 2.5692 8.4143 8.4208 9.2825 9.2832 9.5891 9.5893 9.7158 9.7209 k = 0.2165 0.2088-0.1001 ( 4231 PWs) bands (ev): -25.3484 -25.3484 -19.9933 -19.9931 -19.0195 -19.0194 -15.5357 -15.5351 -9.6008 -9.5933 -9.0348 -9.0094 -8.7801 -8.7734 -8.7579 -8.7493 -8.0486 -8.0441 -6.0263 -6.0262 -3.6907 -3.6902 -2.3006 -2.2998 -2.2760 -2.2754 -0.8747 -0.8719 -0.5630 -0.5600 -0.0136 -0.0080 1.2173 1.2221 1.3761 1.3813 2.4533 2.4546 2.5619 2.5626 8.4625 8.4689 9.2807 9.2815 9.6141 9.6142 9.7500 9.7554 k = 0.2263 0.2183-0.1047 ( 4229 PWs) bands (ev): -25.3483 -25.3483 -19.9869 -19.9867 -19.0224 -19.0224 -15.5497 -15.5492 -9.5923 -9.5843 -9.0355 -9.0080 -8.7804 -8.7739 -8.7580 -8.7471 -8.0422 -8.0380 -6.0104 -6.0103 -3.6923 -3.6918 -2.3190 -2.3183 -2.2842 -2.2837 -0.8802 -0.8774 -0.5542 -0.5511 -0.0218 -0.0161 1.2225 1.2273 1.3630 1.3683 2.4475 2.4488 2.5561 2.5569 8.5074 8.5137 9.2825 9.2832 9.6387 9.6389 9.7856 9.7911 k = 0.2361 0.2278-0.1092 ( 4221 PWs) bands (ev): -25.3481 -25.3481 -19.9803 -19.9802 -19.0253 -19.0253 -15.5639 -15.5633 -9.5836 -9.5751 -9.0363 -9.0067 -8.7807 -8.7746 -8.7581 -8.7449 -8.0355 -8.0316 -5.9943 -5.9942 -3.6942 -3.6937 -2.3380 -2.3372 -2.2925 -2.2920 -0.8854 -0.8825 -0.5454 -0.5422 -0.0299 -0.0241 1.2276 1.2324 1.3499 1.3552 2.4419 2.4431 2.5511 2.5519 8.5490 8.5551 9.2879 9.2886 9.6631 9.6632 9.8215 9.8270 k = 0.2460 0.2373-0.1138 ( 4219 PWs) bands (ev): -25.3479 -25.3479 -19.9737 -19.9736 -19.0283 -19.0282 -15.5782 -15.5776 -9.5747 -9.5658 -9.0371 -9.0056 -8.7812 -8.7755 -8.7583 -8.7428 -8.0284 -8.0248 -5.9780 -5.9779 -3.6964 -3.6959 -2.3575 -2.3567 -2.3009 -2.3004 -0.8902 -0.8872 -0.5364 -0.5332 -0.0379 -0.0320 1.2327 1.2373 1.3368 1.3422 2.4363 2.4375 2.5469 2.5476 8.5873 8.5932 9.2969 9.2976 9.6871 9.6872 9.8565 9.8619 k = 0.2558 0.2468-0.1183 ( 4216 PWs) bands (ev): -25.3477 -25.3477 -19.9671 -19.9669 -19.0312 -19.0312 -15.5925 -15.5919 -9.5657 -9.5564 -9.0379 -9.0046 -8.7818 -8.7765 -8.7585 -8.7410 -8.0209 -8.0176 -5.9617 -5.9616 -3.6991 -3.6985 -2.3773 -2.3766 -2.3094 -2.3089 -0.8946 -0.8915 -0.5274 -0.5242 -0.0457 -0.0398 1.2376 1.2421 1.3238 1.3293 2.4309 2.4321 2.5434 2.5441 8.6226 8.6282 9.3093 9.3100 9.7107 9.7108 9.8896 9.8948 k = 0.2657 0.2563-0.1229 ( 4215 PWs) bands (ev): -25.3475 -25.3475 -19.9604 -19.9602 -19.0342 -19.0341 -15.6068 -15.6062 -9.5566 -9.5469 -9.0388 -9.0039 -8.7824 -8.7775 -8.7587 -8.7394 -8.0130 -8.0101 -5.9454 -5.9453 -3.7021 -3.7015 -2.3975 -2.3967 -2.3179 -2.3174 -0.8984 -0.8954 -0.5184 -0.5152 -0.0533 -0.0474 1.2423 1.2467 1.3110 1.3165 2.4256 2.4267 2.5405 2.5413 8.6552 8.6604 9.3248 9.3254 9.7340 9.7341 9.9193 9.9242 k = 0.2755 0.2657-0.1274 ( 4219 PWs) bands (ev): -25.3473 -25.3473 -19.9537 -19.9536 -19.0371 -19.0371 -15.6210 -15.6204 -9.5474 -9.5373 -9.0397 -9.0034 -8.7832 -8.7786 -8.7591 -8.7381 -8.0049 -8.0022 -5.9291 -5.9290 -3.7055 -3.7049 -2.4178 -2.4170 -2.3265 -2.3260 -0.9017 -0.8987 -0.5094 -0.5062 -0.0608 -0.0549 1.2468 1.2510 1.2986 1.3041 2.4204 2.4215 2.5383 2.5391 8.6855 8.6903 9.3430 9.3436 9.7569 9.7569 9.9447 9.9492 k = 0.2853 0.2752-0.1320 ( 4224 PWs) bands (ev): -25.3471 -25.3471 -19.9471 -19.9470 -19.0400 -19.0399 -15.6351 -15.6345 -9.5381 -9.5276 -9.0406 -9.0031 -8.7841 -8.7798 -8.7595 -8.7371 -7.9964 -7.9941 -5.9129 -5.9127 -3.7093 -3.7087 -2.4382 -2.4374 -2.3350 -2.3345 -0.9045 -0.9014 -0.5005 -0.4973 -0.0682 -0.0623 1.2509 1.2548 1.2866 1.2922 2.4154 2.4164 2.5367 2.5375 8.7139 8.7183 9.3636 9.3641 9.7793 9.7794 9.9647 9.9687 k = 0.2952 0.2847-0.1365 ( 4220 PWs) bands (ev): -25.3470 -25.3470 -19.9405 -19.9404 -19.0428 -19.0428 -15.6490 -15.6485 -9.5288 -9.5179 -9.0415 -9.0030 -8.7850 -8.7810 -8.7601 -8.7365 -7.9877 -7.9855 -5.8968 -5.8967 -3.7134 -3.7128 -2.4585 -2.4577 -2.3435 -2.3430 -0.9067 -0.9037 -0.4917 -0.4885 -0.0754 -0.0695 1.2542 1.2577 1.2755 1.2814 2.4105 2.4114 2.5357 2.5365 8.7410 8.7448 9.3860 9.3865 9.8013 9.8014 9.9788 9.9822 k = 0.3050 0.2942-0.1411 ( 4218 PWs) bands (ev): -25.3468 -25.3468 -19.9340 -19.9338 -19.0456 -19.0456 -15.6627 -15.6622 -9.5194 -9.5083 -9.0424 -9.0031 -8.7860 -8.7822 -8.7607 -8.7363 -7.9787 -7.9768 -5.8810 -5.8808 -3.7178 -3.7173 -2.4787 -2.4778 -2.3519 -2.3514 -0.9083 -0.9053 -0.4830 -0.4798 -0.0824 -0.0766 1.2542 1.2574 1.2679 1.2738 2.4057 2.4066 2.5351 2.5359 8.7670 8.7704 9.4099 9.4104 9.8229 9.8230 9.9869 9.9898 k = 0.3149 0.3037-0.1456 ( 4216 PWs) bands (ev): -25.3466 -25.3466 -19.9276 -19.9274 -19.0483 -19.0483 -15.6761 -15.6756 -9.5100 -9.4987 -9.0433 -9.0035 -8.7871 -8.7834 -8.7614 -8.7365 -7.9695 -7.9677 -5.8654 -5.8653 -3.7226 -3.7220 -2.4986 -2.4977 -2.3602 -2.3597 -0.9094 -0.9064 -0.4745 -0.4714 -0.0892 -0.0835 1.2472 1.2510 1.2676 1.2726 2.4011 2.4019 2.5350 2.5358 8.7923 8.7952 9.4350 9.4353 9.8440 9.8441 9.9894 9.9917 k = 0.3247 0.3132-0.1502 ( 4212 PWs) bands (ev): -25.3465 -25.3465 -19.9213 -19.9212 -19.0510 -19.0510 -15.6892 -15.6887 -9.5006 -9.4891 -9.0442 -9.0041 -8.7883 -8.7847 -8.7622 -8.7370 -7.9601 -7.9585 -5.8502 -5.8501 -3.7277 -3.7271 -2.5181 -2.5173 -2.3684 -2.3679 -0.9099 -0.9070 -0.4662 -0.4631 -0.0958 -0.0903 1.2375 1.2416 1.2702 1.2747 2.3967 2.3974 2.5352 2.5360 8.8171 8.8196 9.4607 9.4610 9.8646 9.8647 9.9871 9.9888 k = 0.3345 0.3227-0.1547 ( 4210 PWs) bands (ev): -25.3463 -25.3463 -19.9152 -19.9150 -19.0535 -19.0535 -15.7019 -15.7014 -9.4913 -9.4797 -9.0451 -9.0050 -8.7895 -8.7859 -8.7631 -8.7379 -7.9507 -7.9492 -5.8354 -5.8353 -3.7330 -3.7324 -2.5371 -2.5363 -2.3763 -2.3759 -0.9099 -0.9072 -0.4582 -0.4552 -0.1023 -0.0969 1.2275 1.2317 1.2734 1.2775 2.3923 2.3930 2.5357 2.5365 8.8416 8.8436 9.4868 9.4870 9.8847 9.8848 9.9809 9.9821 k = 0.3444 0.3322-0.1593 ( 4216 PWs) bands (ev): -25.3462 -25.3462 -19.9093 -19.9091 -19.0560 -19.0560 -15.7142 -15.7137 -9.4821 -9.4704 -9.0460 -9.0061 -8.7909 -8.7871 -8.7641 -8.7391 -7.9412 -7.9399 -5.8211 -5.8210 -3.7385 -3.7379 -2.5556 -2.5548 -2.3841 -2.3837 -0.9095 -0.9068 -0.4504 -0.4475 -0.1085 -0.1033 1.2178 1.2219 1.2766 1.2804 2.3882 2.3888 2.5365 2.5373 8.8658 8.8675 9.5129 9.5130 9.9042 9.9044 9.9719 9.9726 k = 0.3542 0.3417-0.1638 ( 4218 PWs) bands (ev): -25.3460 -25.3460 -19.9035 -19.9034 -19.0584 -19.0584 -15.7259 -15.7255 -9.4731 -9.4613 -9.0468 -9.0074 -8.7922 -8.7884 -8.7650 -8.7407 -7.9317 -7.9305 -5.8073 -5.8072 -3.7442 -3.7436 -2.5734 -2.5726 -2.3916 -2.3912 -0.9087 -0.9061 -0.4429 -0.4401 -0.1145 -0.1095 1.2086 1.2126 1.2797 1.2832 2.3842 2.3848 2.5375 2.5383 8.8899 8.8911 9.5386 9.5387 9.9231 9.9233 9.9614 9.9616 k = 0.3641 0.3512-0.1684 ( 4222 PWs) bands (ev): -25.3459 -25.3459 -19.8981 -19.8979 -19.0607 -19.0607 -15.7372 -15.7368 -9.4642 -9.4525 -9.0476 -9.0090 -8.7936 -8.7896 -8.7661 -8.7425 -7.9224 -7.9212 -5.7942 -5.7941 -3.7500 -3.7493 -2.5904 -2.5897 -2.3988 -2.3984 -0.9076 -0.9051 -0.4358 -0.4331 -0.1203 -0.1155 1.1999 1.2037 1.2827 1.2859 2.3804 2.3809 2.5386 2.5394 8.9136 8.9144 9.5637 9.5638 9.9407 9.9413 9.9503 9.9507 k = 0.3739 0.3607-0.1729 ( 4221 PWs) bands (ev): -25.3458 -25.3458 -19.8928 -19.8927 -19.0628 -19.0628 -15.7479 -15.7475 -9.4555 -9.4440 -9.0483 -9.0107 -8.7950 -8.7909 -8.7671 -8.7445 -7.9132 -7.9121 -5.7816 -5.7815 -3.7557 -3.7551 -2.6066 -2.6059 -2.4057 -2.4053 -0.9061 -0.9038 -0.4290 -0.4265 -0.1258 -0.1212 1.1917 1.1954 1.2854 1.2884 2.3768 2.3773 2.5399 2.5406 8.9369 8.9374 9.5878 9.5878 9.9383 9.9384 9.9595 9.9596 k = 0.3837 0.3701-0.1775 ( 4214 PWs) bands (ev): -25.3456 -25.3456 -19.8879 -19.8877 -19.0648 -19.0648 -15.7579 -15.7575 -9.4471 -9.4359 -9.0489 -9.0127 -8.7963 -8.7921 -8.7680 -8.7467 -7.9042 -7.9032 -5.7698 -5.7697 -3.7615 -3.7609 -2.6218 -2.6211 -2.4122 -2.4119 -0.9044 -0.9022 -0.4226 -0.4202 -0.1309 -0.1266 1.1842 1.1876 1.2880 1.2907 2.3734 2.3738 2.5412 2.5419 8.9596 8.9598 9.6104 9.6105 9.9282 9.9283 9.9762 9.9763 k = 0.3936 0.3796-0.1820 ( 4208 PWs) bands (ev): -25.3455 -25.3455 -19.8832 -19.8831 -19.0667 -19.0667 -15.7673 -15.7669 -9.4390 -9.4281 -9.0494 -9.0148 -8.7977 -8.7933 -8.7689 -8.7491 -7.8956 -7.8947 -5.7587 -5.7586 -3.7671 -3.7665 -2.6360 -2.6354 -2.4183 -2.4180 -0.9026 -0.9005 -0.4167 -0.4144 -0.1358 -0.1317 1.1772 1.1804 1.2904 1.2928 2.3702 2.3706 2.5425 2.5432 8.9815 8.9815 9.6312 9.6315 9.9197 9.9199 9.9923 9.9923 k = 0.4034 0.3891-0.1866 ( 4212 PWs) bands (ev): -25.3454 -25.3454 -19.8789 -19.8788 -19.0684 -19.0684 -15.7760 -15.7757 -9.4313 -9.4209 -9.0498 -9.0172 -8.7990 -8.7945 -8.7698 -8.7515 -7.8874 -7.8866 -5.7484 -5.7484 -3.7725 -3.7720 -2.6492 -2.6486 -2.4241 -2.4237 -0.9006 -0.8987 -0.4112 -0.4091 -0.1403 -0.1365 1.1709 1.1738 1.2925 1.2948 2.3672 2.3675 2.5438 2.5444 9.0022 9.0023 9.6499 9.6503 9.9135 9.9136 10.0074 10.0074 k = 0.4133 0.3986-0.1911 ( 4208 PWs) bands (ev): -25.3453 -25.3453 -19.8750 -19.8749 -19.0700 -19.0700 -15.7840 -15.7837 -9.4240 -9.4142 -9.0500 -9.0196 -8.8002 -8.7957 -8.7705 -8.7540 -7.8797 -7.8789 -5.7390 -5.7389 -3.7777 -3.7772 -2.6612 -2.6607 -2.4293 -2.4290 -0.8987 -0.8969 -0.4062 -0.4042 -0.1444 -0.1410 1.1652 1.1679 1.2945 1.2965 2.3645 2.3648 2.5450 2.5456 9.0216 9.0220 9.6662 9.6667 9.9097 9.9097 10.0215 10.0216 k = 0.4231 0.4081-0.1957 ( 4210 PWs) bands (ev): -25.3452 -25.3452 -19.8714 -19.8713 -19.0715 -19.0714 -15.7912 -15.7909 -9.4172 -9.4081 -9.0500 -9.0222 -8.8013 -8.7969 -8.7711 -8.7564 -7.8725 -7.8718 -5.7305 -5.7304 -3.7826 -3.7821 -2.6721 -2.6716 -2.4341 -2.4338 -0.8967 -0.8952 -0.4016 -0.3999 -0.1481 -0.1450 1.1601 1.1625 1.2962 1.2980 2.3620 2.3622 2.5461 2.5467 9.0396 9.0401 9.6798 9.6805 9.9084 9.9085 10.0346 10.0347 k = 0.4329 0.4176-0.2002 ( 4210 PWs) bands (ev): -25.3452 -25.3452 -19.8682 -19.8681 -19.0727 -19.0727 -15.7976 -15.7973 -9.4110 -9.4028 -9.0499 -9.0248 -8.8023 -8.7980 -8.7716 -8.7587 -7.8660 -7.8654 -5.7229 -5.7228 -3.7870 -3.7866 -2.6818 -2.6813 -2.4383 -2.4381 -0.8949 -0.8936 -0.3975 -0.3960 -0.1514 -0.1486 1.1557 1.1578 1.2977 1.2993 2.3598 2.3600 2.5472 2.5477 9.0560 9.0565 9.6910 9.6918 9.9094 9.9097 10.0466 10.0467 k = 0.4428 0.4271-0.2048 ( 4213 PWs) bands (ev): -25.3451 -25.3451 -19.8654 -19.8654 -19.0738 -19.0738 -15.8031 -15.8029 -9.4054 -9.3981 -9.0495 -9.0275 -8.8031 -8.7991 -8.7719 -8.7609 -7.8601 -7.8596 -5.7162 -5.7162 -3.7910 -3.7906 -2.6902 -2.6898 -2.4420 -2.4418 -0.8933 -0.8921 -0.3940 -0.3927 -0.1542 -0.1518 1.1519 1.1537 1.2990 1.3004 2.3578 2.3580 2.5481 2.5485 9.0705 9.0711 9.6998 9.7007 9.9122 9.9126 10.0574 10.0575 k = 0.4526 0.4366-0.2093 ( 4217 PWs) bands (ev): -25.3451 -25.3451 -19.8631 -19.8630 -19.0748 -19.0748 -15.8079 -15.8077 -9.4005 -9.3943 -9.0488 -9.0302 -8.8037 -8.8002 -8.7721 -8.7629 -7.8551 -7.8546 -5.7106 -5.7106 -3.7944 -3.7941 -2.6974 -2.6970 -2.4452 -2.4450 -0.8918 -0.8908 -0.3910 -0.3899 -0.1565 -0.1545 1.1487 1.1502 1.3001 1.3013 2.3561 2.3563 2.5489 2.5492 9.0831 9.0835 9.7068 9.7077 9.9162 9.9167 10.0669 10.0669 k = 0.4625 0.4461-0.2139 ( 4219 PWs) bands (ev): -25.3450 -25.3450 -19.8611 -19.8611 -19.0755 -19.0755 -15.8118 -15.8116 -9.3963 -9.3913 -9.0479 -9.0329 -8.8042 -8.8012 -8.7720 -8.7648 -7.8508 -7.8505 -5.7060 -5.7060 -3.7973 -3.7970 -2.7033 -2.7030 -2.4478 -2.4476 -0.8906 -0.8898 -0.3885 -0.3877 -0.1583 -0.1567 1.1462 1.1474 1.3010 1.3020 2.3548 2.3548 2.5496 2.5498 9.0935 9.0939 9.7123 9.7131 9.9207 9.9212 10.0750 10.0751 k = 0.4723 0.4556-0.2184 ( 4219 PWs) bands (ev): -25.3450 -25.3450 -19.8596 -19.8596 -19.0761 -19.0761 -15.8147 -15.8146 -9.3929 -9.3892 -9.0466 -9.0355 -8.8044 -8.8021 -8.7718 -8.7664 -7.8474 -7.8471 -5.7024 -5.7024 -3.7995 -3.7993 -2.7078 -2.7076 -2.4497 -2.4496 -0.8897 -0.8892 -0.3866 -0.3860 -0.1596 -0.1584 1.1443 1.1452 1.3016 1.3024 2.3537 2.3537 2.5501 2.5502 9.1017 9.1019 9.7167 9.7174 9.9248 9.9253 10.0817 10.0817 k = 0.4821 0.4651-0.2230 ( 4221 PWs) bands (ev): -25.3450 -25.3450 -19.8586 -19.8586 -19.0766 -19.0765 -15.8168 -15.8168 -9.3904 -9.3881 -9.0451 -9.0379 -8.8044 -8.8028 -8.7714 -8.7679 -7.8449 -7.8447 -5.6999 -5.6999 -3.8010 -3.8009 -2.7111 -2.7109 -2.4511 -2.4511 -0.8891 -0.8888 -0.3852 -0.3848 -0.1603 -0.1595 1.1430 1.1435 1.3020 1.3026 2.3529 2.3529 2.5504 2.5504 9.1076 9.1077 9.7202 9.7207 9.9280 9.9284 10.0868 10.0869 k = 0.4920 0.4745-0.2275 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0768 -19.0768 -15.8180 -15.8180 -9.3887 -9.3878 -9.0434 -9.0401 -8.8042 -8.8034 -8.7707 -8.7690 -7.8433 -7.8432 -5.6985 -5.6985 -3.8019 -3.8018 -2.7130 -2.7129 -2.4519 -2.4519 -0.8889 -0.8888 -0.3844 -0.3843 -0.1604 -0.1601 1.1423 1.1426 1.3022 1.3026 2.3524 2.3524 2.5505 2.5505 9.1111 9.1111 9.7231 9.7233 9.9299 9.9302 10.0904 10.0905 k = 0.4920 0.4745-0.2275 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0768 -19.0768 -15.8180 -15.8180 -9.3887 -9.3878 -9.0434 -9.0401 -8.8042 -8.8034 -8.7707 -8.7690 -7.8433 -7.8432 -5.6985 -5.6985 -3.8019 -3.8018 -2.7130 -2.7129 -2.4519 -2.4519 -0.8889 -0.8888 -0.3844 -0.3843 -0.1604 -0.1601 1.1423 1.1426 1.3022 1.3026 2.3524 2.3524 2.5505 2.5505 9.1111 9.1111 9.7231 9.7233 9.9299 9.9302 10.0904 10.0905 k = 0.4952 0.4777-0.2146 ( 4216 PWs) bands (ev): -25.3449 -25.3449 -19.8579 -19.8579 -19.0768 -19.0768 -15.8182 -15.8182 -9.3876 -9.3876 -9.0428 -9.0410 -8.8042 -8.8036 -8.7708 -8.7694 -7.8443 -7.8442 -5.6983 -5.6983 -3.7999 -3.7997 -2.7125 -2.7123 -2.4522 -2.4522 -0.8891 -0.8890 -0.3842 -0.3841 -0.1618 -0.1615 1.1428 1.1429 1.3005 1.3011 2.3529 2.3530 2.5514 2.5517 9.1090 9.1094 9.7135 9.7136 9.9425 9.9428 10.0826 10.0828 k = 0.4984 0.4808-0.2017 ( 4212 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0768 -19.0768 -15.8182 -15.8182 -9.3874 -9.3866 -9.0422 -9.0419 -8.8041 -8.8037 -8.7709 -8.7699 -7.8459 -7.8457 -5.6981 -5.6981 -3.7958 -3.7956 -2.7114 -2.7111 -2.4527 -2.4527 -0.8903 -0.8899 -0.3840 -0.3840 -0.1637 -0.1634 1.1437 1.1438 1.2970 1.2979 2.3539 2.3540 2.5530 2.5535 9.1052 9.1059 9.7002 9.7005 9.9625 9.9629 10.0698 10.0701 k = 0.5017 0.4839-0.1887 ( 4215 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0768 -19.0768 -15.8182 -15.8182 -9.3873 -9.3857 -9.0428 -9.0417 -8.8040 -8.8037 -8.7712 -8.7705 -7.8483 -7.8479 -5.6981 -5.6981 -3.7898 -3.7896 -2.7097 -2.7094 -2.4532 -2.4532 -0.8922 -0.8916 -0.3840 -0.3838 -0.1661 -0.1659 1.1450 1.1452 1.2919 1.2931 2.3552 2.3554 2.5553 2.5559 9.0997 9.1007 9.6854 9.6858 9.9879 9.9883 10.0524 10.0528 k = 0.5049 0.4870-0.1758 ( 4212 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0768 -19.0768 -15.8181 -15.8181 -9.3872 -9.3849 -9.0436 -9.0412 -8.8038 -8.8037 -8.7715 -8.7711 -7.8512 -7.8508 -5.6982 -5.6982 -3.7819 -3.7817 -2.7074 -2.7071 -2.4538 -2.4538 -0.8948 -0.8940 -0.3840 -0.3837 -0.1690 -0.1688 1.1467 1.1471 1.2853 1.2866 2.3570 2.3573 2.5582 2.5590 9.0926 9.0939 9.6705 9.6711 10.0164 10.0165 10.0311 10.0321 k = 0.5081 0.4901-0.1629 ( 4213 PWs) bands (ev): -25.3449 -25.3449 -19.8579 -19.8579 -19.0767 -19.0767 -15.8178 -15.8178 -9.3872 -9.3841 -9.0444 -9.0407 -8.8037 -8.8036 -8.7719 -8.7718 -7.8548 -7.8542 -5.6985 -5.6985 -3.7722 -3.7720 -2.7045 -2.7042 -2.4545 -2.4544 -0.8981 -0.8971 -0.3840 -0.3837 -0.1724 -0.1723 1.1489 1.1495 1.2771 1.2786 2.3592 2.3595 2.5617 2.5627 9.0840 9.0857 9.6564 9.6572 10.0046 10.0049 10.0485 10.0496 k = 0.5113 0.4932-0.1500 ( 4214 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0767 -19.0767 -15.8175 -15.8175 -9.3873 -9.3834 -9.0452 -9.0404 -8.8036 -8.8035 -8.7724 -8.7724 -7.8589 -7.8582 -5.6988 -5.6988 -3.7609 -3.7606 -2.7011 -2.7007 -2.4552 -2.4552 -0.9021 -0.9009 -0.3841 -0.3837 -0.1762 -0.1761 1.1515 1.1522 1.2675 1.2692 2.3618 2.3621 2.5657 2.5669 9.0742 9.0762 9.6436 9.6446 9.9757 9.9761 10.0812 10.0824 k = 0.5146 0.4963-0.1370 ( 4213 PWs) bands (ev): -25.3449 -25.3449 -19.8582 -19.8582 -19.0766 -19.0766 -15.8171 -15.8170 -9.3873 -9.3828 -9.0458 -9.0400 -8.8035 -8.8033 -8.7732 -8.7730 -7.8636 -7.8627 -5.6993 -5.6992 -3.7479 -3.7476 -2.6971 -2.6967 -2.4560 -2.4560 -0.9067 -0.9053 -0.3843 -0.3837 -0.1805 -0.1804 1.1545 1.1553 1.2567 1.2585 2.3648 2.3652 2.5704 2.5717 9.0634 9.0656 9.6323 9.6334 9.9438 9.9443 10.1148 10.1162 k = 0.5178 0.4995-0.1241 ( 4216 PWs) bands (ev): -25.3449 -25.3449 -19.8584 -19.8584 -19.0765 -19.0765 -15.8165 -15.8165 -9.3873 -9.3823 -9.0464 -9.0398 -8.8033 -8.8030 -8.7739 -8.7737 -7.8688 -7.8678 -5.6998 -5.6998 -3.7336 -3.7332 -2.6926 -2.6922 -2.4569 -2.4568 -0.9119 -0.9104 -0.3845 -0.3839 -0.1852 -0.1851 1.1579 1.1588 1.2447 1.2466 2.3681 2.3685 2.5755 2.5769 9.0516 9.0541 9.6226 9.6238 9.9094 9.9099 10.1487 10.1502 k = 0.5210 0.5026-0.1112 ( 4211 PWs) bands (ev): -25.3449 -25.3449 -19.8587 -19.8587 -19.0763 -19.0763 -15.8159 -15.8158 -9.3873 -9.3818 -9.0470 -9.0397 -8.8031 -8.8028 -8.7747 -8.7744 -7.8743 -7.8732 -5.7005 -5.7005 -3.7180 -3.7176 -2.6877 -2.6872 -2.4578 -2.4577 -0.9177 -0.9160 -0.3848 -0.3840 -0.1902 -0.1902 1.1615 1.1625 1.2318 1.2337 2.3717 2.3722 2.5811 2.5826 9.0393 9.0420 9.6144 9.6158 9.8731 9.8736 10.1822 10.1839 k = 0.5243 0.5057-0.0983 ( 4211 PWs) bands (ev): -25.3449 -25.3449 -19.8590 -19.8590 -19.0762 -19.0762 -15.8152 -15.8151 -9.3873 -9.3814 -9.0474 -9.0396 -8.8028 -8.8026 -8.7755 -8.7752 -7.8803 -7.8790 -5.7013 -5.7013 -3.7013 -3.7008 -2.6822 -2.6817 -2.4587 -2.4586 -0.9238 -0.9220 -0.3851 -0.3842 -0.1957 -0.1955 1.1653 1.1663 1.2182 1.2201 2.3757 2.3762 2.5871 2.5887 9.0265 9.0295 9.6075 9.6091 9.8353 9.8358 10.2148 10.2168 k = 0.5275 0.5088-0.0853 ( 4204 PWs) bands (ev): -25.3449 -25.3449 -19.8593 -19.8593 -19.0760 -19.0760 -15.8143 -15.8142 -9.3873 -9.3810 -9.0478 -9.0397 -8.8026 -8.8024 -8.7762 -8.7761 -7.8865 -7.8851 -5.7022 -5.7022 -3.6837 -3.6832 -2.6763 -2.6758 -2.4596 -2.4594 -0.9304 -0.9284 -0.3855 -0.3845 -0.2014 -0.2012 1.1692 1.1700 1.2042 1.2059 2.3799 2.3804 2.5934 2.5951 9.0134 9.0166 9.6019 9.6036 9.7965 9.7970 10.2462 10.2483 k = 0.5307 0.5119-0.0724 ( 4198 PWs) bands (ev): -25.3450 -25.3449 -19.8597 -19.8597 -19.0758 -19.0758 -15.8134 -15.8133 -9.3872 -9.3806 -9.0482 -9.0399 -8.8023 -8.8022 -8.7770 -8.7770 -7.8931 -7.8915 -5.7032 -5.7032 -3.6654 -3.6649 -2.6700 -2.6694 -2.4604 -2.4603 -0.9372 -0.9351 -0.3859 -0.3849 -0.2074 -0.2072 1.1726 1.1726 1.1912 1.1918 2.3844 2.3849 2.6001 2.6017 9.0003 9.0037 9.5972 9.5991 9.7571 9.7575 10.2758 10.2781 k = 0.5339 0.5150-0.0595 ( 4193 PWs) bands (ev): -25.3450 -25.3450 -19.8602 -19.8601 -19.0755 -19.0755 -15.8124 -15.8122 -9.3870 -9.3803 -9.0484 -9.0402 -8.8020 -8.8020 -8.7780 -8.7777 -7.8999 -7.8981 -5.7043 -5.7043 -3.6467 -3.6461 -2.6633 -2.6627 -2.4613 -2.4611 -0.9442 -0.9421 -0.3864 -0.3853 -0.2137 -0.2134 1.1680 1.1706 1.1830 1.1851 2.3890 2.3896 2.6069 2.6086 8.9872 8.9908 9.5931 9.5953 9.7175 9.7179 10.3034 10.3057 k = 0.5372 0.5181-0.0465 ( 4199 PWs) bands (ev): -25.3450 -25.3450 -19.8607 -19.8606 -19.0753 -19.0753 -15.8112 -15.8111 -9.3867 -9.3799 -9.0487 -9.0406 -8.8018 -8.8018 -8.7790 -8.7785 -7.9068 -7.9049 -5.7056 -5.7056 -3.6277 -3.6271 -2.6563 -2.6558 -2.4621 -2.4619 -0.9513 -0.9491 -0.3870 -0.3858 -0.2203 -0.2199 1.1551 1.1578 1.1850 1.1874 2.3938 2.3945 2.6139 2.6155 8.9743 8.9781 9.5895 9.5920 9.6783 9.6784 10.3285 10.3309 k = 0.5372 0.5181-0.0465 ( 4199 PWs) bands (ev): -25.3450 -25.3450 -19.8607 -19.8606 -19.0753 -19.0753 -15.8112 -15.8111 -9.3867 -9.3799 -9.0487 -9.0406 -8.8018 -8.8018 -8.7790 -8.7785 -7.9068 -7.9049 -5.7056 -5.7056 -3.6277 -3.6271 -2.6563 -2.6558 -2.4621 -2.4619 -0.9513 -0.9491 -0.3870 -0.3858 -0.2203 -0.2199 1.1551 1.1578 1.1850 1.1874 2.3938 2.3945 2.6139 2.6155 8.9743 8.9781 9.5895 9.5920 9.6783 9.6784 10.3285 10.3309 k = 0.5348 0.5159-0.0332 ( 4202 PWs) bands (ev): -25.3450 -25.3450 -19.8603 -19.8603 -19.0754 -19.0754 -15.8118 -15.8117 -9.3822 -9.3758 -9.0493 -9.0425 -8.8023 -8.8020 -8.7808 -8.7794 -7.9138 -7.9119 -5.7047 -5.7046 -3.6135 -3.6130 -2.6509 -2.6504 -2.4639 -2.4638 -0.9539 -0.9517 -0.3860 -0.3849 -0.2292 -0.2290 1.1444 1.1470 1.1873 1.1895 2.3980 2.3987 2.6210 2.6226 8.9626 8.9663 9.5838 9.5866 9.6396 9.6397 10.3433 10.3457 k = 0.5325 0.5137-0.0198 ( 4206 PWs) bands (ev): -25.3450 -25.3450 -19.8599 -19.8599 -19.0756 -19.0756 -15.8124 -15.8123 -9.3775 -9.3715 -9.0499 -9.0445 -8.8028 -8.8023 -8.7823 -8.7803 -7.9210 -7.9190 -5.7038 -5.7037 -3.5996 -3.5990 -2.6454 -2.6449 -2.4658 -2.4656 -0.9563 -0.9543 -0.3850 -0.3839 -0.2382 -0.2380 1.1336 1.1362 1.1898 1.1919 2.4023 2.4029 2.6280 2.6295 8.9507 8.9544 9.5779 9.5816 9.6020 9.6032 10.3558 10.3581 k = 0.5302 0.5114-0.0064 ( 4217 PWs) bands (ev): -25.3450 -25.3450 -19.8596 -19.8596 -19.0757 -19.0757 -15.8129 -15.8128 -9.3729 -9.3673 -9.0507 -9.0464 -8.8035 -8.8028 -8.7837 -8.7811 -7.9281 -7.9262 -5.7030 -5.7029 -3.5860 -3.5853 -2.6398 -2.6392 -2.4675 -2.4674 -0.9587 -0.9567 -0.3840 -0.3830 -0.2471 -0.2470 1.1230 1.1254 1.1924 1.1943 2.4065 2.4071 2.6350 2.6364 8.9390 8.9426 9.5610 9.5642 9.5789 9.5795 10.3660 10.3683 k = 0.5279 0.5092 0.0070 ( 4215 PWs) bands (ev): -25.3450 -25.3450 -19.8593 -19.8593 -19.0758 -19.0758 -15.8134 -15.8132 -9.3681 -9.3630 -9.0515 -9.0484 -8.8043 -8.8033 -8.7849 -8.7818 -7.9352 -7.9333 -5.7022 -5.7022 -3.5727 -3.5721 -2.6341 -2.6336 -2.4692 -2.4691 -0.9609 -0.9590 -0.3831 -0.3822 -0.2557 -0.2557 1.1126 1.1150 1.1949 1.1966 2.4106 2.4112 2.6418 2.6431 8.9274 8.9309 9.5283 9.5297 9.5740 9.5751 10.3744 10.3765 k = 0.5255 0.5069 0.0204 ( 4218 PWs) bands (ev): -25.3449 -25.3449 -19.8590 -19.8590 -19.0759 -19.0759 -15.8138 -15.8137 -9.3635 -9.3588 -9.0524 -9.0502 -8.8051 -8.8040 -8.7858 -8.7824 -7.9421 -7.9402 -5.7015 -5.7015 -3.5601 -3.5595 -2.6285 -2.6280 -2.4707 -2.4706 -0.9630 -0.9612 -0.3822 -0.3814 -0.2642 -0.2642 1.1027 1.1049 1.1973 1.1989 2.4146 2.4152 2.6483 2.6496 8.9163 8.9196 9.4956 9.4967 9.5709 9.5722 10.3810 10.3830 k = 0.5232 0.5047 0.0337 ( 4216 PWs) bands (ev): -25.3449 -25.3449 -19.8588 -19.8587 -19.0760 -19.0760 -15.8141 -15.8140 -9.3589 -9.3547 -9.0533 -9.0521 -8.8060 -8.8047 -8.7865 -8.7829 -7.9487 -7.9469 -5.7008 -5.7008 -3.5481 -3.5475 -2.6230 -2.6226 -2.4722 -2.4721 -0.9649 -0.9632 -0.3814 -0.3806 -0.2723 -0.2722 1.0933 1.0954 1.1995 1.2010 2.4185 2.4190 2.6546 2.6558 8.9057 8.9088 9.4649 9.4657 9.5686 9.5700 10.3861 10.3880 k = 0.5209 0.5024 0.0471 ( 4214 PWs) bands (ev): -25.3449 -25.3449 -19.8585 -19.8585 -19.0760 -19.0760 -15.8144 -15.8144 -9.3545 -9.3508 -9.0543 -9.0538 -8.8070 -8.8055 -8.7869 -8.7834 -7.9550 -7.9533 -5.7002 -5.7002 -3.5369 -3.5363 -2.6178 -2.6174 -2.4736 -2.4735 -0.9666 -0.9651 -0.3806 -0.3799 -0.2799 -0.2798 1.0845 1.0865 1.2017 1.2030 2.4222 2.4227 2.6604 2.6615 8.8957 8.8985 9.4363 9.4370 9.5668 9.5682 10.3899 10.3917 k = 0.5186 0.5002 0.0605 ( 4218 PWs) bands (ev): -25.3449 -25.3449 -19.8583 -19.8583 -19.0761 -19.0761 -15.8147 -15.8146 -9.3504 -9.3471 -9.0554 -9.0554 -8.8079 -8.8063 -8.7872 -8.7837 -7.9608 -7.9592 -5.6997 -5.6997 -3.5266 -3.5260 -2.6129 -2.6125 -2.4748 -2.4748 -0.9682 -0.9668 -0.3799 -0.3792 -0.2869 -0.2868 1.0764 1.0782 1.2037 1.2049 2.4256 2.4261 2.6659 2.6669 8.8864 8.8891 9.4103 9.4109 9.5655 9.5668 10.3927 10.3943 k = 0.5163 0.4980 0.0739 ( 4221 PWs) bands (ev): -25.3449 -25.3449 -19.8582 -19.8581 -19.0762 -19.0762 -15.8150 -15.8149 -9.3465 -9.3436 -9.0569 -9.0564 -8.8088 -8.8072 -8.7873 -8.7840 -7.9662 -7.9647 -5.6992 -5.6992 -3.5172 -3.5167 -2.6083 -2.6080 -2.4760 -2.4759 -0.9696 -0.9683 -0.3792 -0.3786 -0.2934 -0.2932 1.0691 1.0707 1.2054 1.2065 2.4288 2.4292 2.6708 2.6717 8.8780 8.8804 9.3869 9.3874 9.5646 9.5658 10.3947 10.3961 k = 0.5139 0.4957 0.0873 ( 4231 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0762 -19.0762 -15.8152 -15.8151 -9.3430 -9.3406 -9.0582 -9.0575 -8.8096 -8.8080 -8.7873 -8.7843 -7.9710 -7.9696 -5.6989 -5.6989 -3.5089 -3.5085 -2.6042 -2.6039 -2.4769 -2.4769 -0.9708 -0.9697 -0.3786 -0.3781 -0.2991 -0.2990 1.0626 1.0640 1.2070 1.2079 2.4316 2.4319 2.6753 2.6760 8.8706 8.8727 9.3663 9.3667 9.5639 9.5650 10.3961 10.3973 k = 0.5116 0.4935 0.1006 ( 4233 PWs) bands (ev): -25.3449 -25.3449 -19.8579 -19.8579 -19.0763 -19.0763 -15.8153 -15.8153 -9.3398 -9.3379 -9.0593 -9.0585 -8.8103 -8.8088 -8.7872 -8.7846 -7.9751 -7.9740 -5.6985 -5.6985 -3.5018 -3.5014 -2.6006 -2.6003 -2.4778 -2.4777 -0.9719 -0.9709 -0.3781 -0.3777 -0.3041 -0.3039 1.0570 1.0582 1.2084 1.2092 2.4340 2.4343 2.6791 2.6797 8.8642 8.8659 9.3487 9.3490 9.5635 9.5645 10.3969 10.3979 k = 0.5093 0.4912 0.1140 ( 4231 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0763 -19.0763 -15.8155 -15.8154 -9.3372 -9.3356 -9.0602 -9.0594 -8.8108 -8.8095 -8.7870 -8.7849 -7.9785 -7.9776 -5.6983 -5.6982 -3.4958 -3.4955 -2.5975 -2.5973 -2.4785 -2.4785 -0.9727 -0.9719 -0.3777 -0.3773 -0.3082 -0.3081 1.0524 1.0534 1.2096 1.2102 2.4361 2.4363 2.6823 2.6828 8.8589 8.8603 9.3342 9.3344 9.5633 9.5641 10.3975 10.3983 k = 0.5070 0.4890 0.1274 ( 4226 PWs) bands (ev): -25.3449 -25.3449 -19.8577 -19.8577 -19.0763 -19.0763 -15.8156 -15.8155 -9.3350 -9.3338 -9.0609 -9.0602 -8.8112 -8.8102 -8.7868 -8.7851 -7.9812 -7.9805 -5.6980 -5.6980 -3.4911 -3.4908 -2.5951 -2.5949 -2.4790 -2.4790 -0.9733 -0.9727 -0.3773 -0.3771 -0.3115 -0.3114 1.0488 1.0495 1.2105 1.2110 2.4377 2.4379 2.6848 2.6852 8.8548 8.8558 9.3228 9.3230 9.5632 9.5638 10.3978 10.3984 k = 0.5046 0.4868 0.1408 ( 4222 PWs) bands (ev): -25.3449 -25.3449 -19.8576 -19.8576 -19.0764 -19.0764 -15.8156 -15.8156 -9.3334 -9.3326 -9.0613 -9.0608 -8.8114 -8.8107 -8.7865 -8.7854 -7.9831 -7.9826 -5.6979 -5.6979 -3.4877 -3.4875 -2.5933 -2.5932 -2.4794 -2.4794 -0.9737 -0.9733 -0.3771 -0.3769 -0.3138 -0.3137 1.0462 1.0467 1.2112 1.2115 2.4389 2.4390 2.6867 2.6870 8.8518 8.8526 9.3146 9.3147 9.5632 9.5636 10.3980 10.3984 k = 0.5023 0.4845 0.1542 ( 4226 PWs) bands (ev): -25.3449 -25.3449 -19.8576 -19.8576 -19.0764 -19.0764 -15.8157 -15.8157 -9.3323 -9.3319 -9.0615 -9.0613 -8.8115 -8.8111 -8.7862 -8.7857 -7.9842 -7.9840 -5.6978 -5.6978 -3.4856 -3.4855 -2.5922 -2.5922 -2.4796 -2.4796 -0.9739 -0.9738 -0.3769 -0.3768 -0.3152 -0.3152 1.0447 1.0450 1.2116 1.2118 2.4396 2.4397 2.6879 2.6880 8.8501 8.8505 9.3097 9.3097 9.5632 9.5635 10.3981 10.3983 k = 0.5000 0.4823 0.1675 ( 4228 PWs) bands (ev): -25.3449 -25.3449 -19.8576 -19.8576 -19.0764 -19.0764 -15.8157 -15.8157 -9.3318 -9.3318 -9.0615 -9.0615 -8.8114 -8.8114 -8.7859 -8.7859 -7.9845 -7.9845 -5.6977 -5.6977 -3.4849 -3.4849 -2.5919 -2.5919 -2.4797 -2.4797 -0.9740 -0.9740 -0.3768 -0.3768 -0.3157 -0.3157 1.0443 1.0443 1.2118 1.2118 2.4399 2.4399 2.6883 2.6883 8.8497 8.8497 9.3080 9.3080 9.5633 9.5633 10.3982 10.3982 k = 0.5000 0.4823 0.1675 ( 4228 PWs) bands (ev): -25.3449 -25.3449 -19.8576 -19.8576 -19.0764 -19.0764 -15.8157 -15.8157 -9.3318 -9.3318 -9.0615 -9.0615 -8.8114 -8.8114 -8.7859 -8.7859 -7.9845 -7.9845 -5.6977 -5.6977 -3.4849 -3.4849 -2.5919 -2.5919 -2.4797 -2.4797 -0.9740 -0.9740 -0.3768 -0.3768 -0.3157 -0.3157 1.0443 1.0443 1.2118 1.2118 2.4399 2.4399 2.6883 2.6883 8.8497 8.8497 9.3080 9.3080 9.5633 9.5633 10.3982 10.3982 k = 0.5094 0.4726 0.1675 ( 4228 PWs) bands (ev): -25.3449 -25.3449 -19.8577 -19.8577 -19.0765 -19.0764 -15.8152 -15.8152 -9.3328 -9.3322 -9.0621 -9.0604 -8.8115 -8.8108 -8.7865 -8.7851 -7.9849 -7.9847 -5.6985 -5.6983 -3.4844 -3.4842 -2.5930 -2.5921 -2.4790 -2.4781 -0.9739 -0.9738 -0.3785 -0.3771 -0.3154 -0.3142 1.0429 1.0441 1.2117 1.2134 2.4383 2.4409 2.6874 2.6899 8.8503 8.8504 9.3049 9.3063 9.5640 9.5652 10.3990 10.3994 k = 0.5187 0.4629 0.1675 ( 4222 PWs) bands (ev): -25.3449 -25.3449 -19.8581 -19.8580 -19.0766 -19.0765 -15.8139 -15.8137 -9.3352 -9.3339 -9.0621 -9.0588 -8.8113 -8.8099 -8.7869 -8.7841 -7.9858 -7.9854 -5.7006 -5.7002 -3.4826 -3.4823 -2.5954 -2.5936 -2.4761 -2.4742 -0.9735 -0.9734 -0.3820 -0.3794 -0.3132 -0.3110 1.0398 1.0422 1.2130 1.2162 2.4362 2.4413 2.6874 2.6924 8.8524 8.8526 9.2970 9.2997 9.5672 9.5694 10.4018 10.4026 k = 0.5281 0.4532 0.1675 ( 4214 PWs) bands (ev): -25.3449 -25.3449 -19.8586 -19.8586 -19.0769 -19.0768 -15.8115 -15.8113 -9.3388 -9.3370 -9.0617 -9.0568 -8.8107 -8.8087 -8.7870 -8.7828 -7.9872 -7.9867 -5.7040 -5.7033 -3.4796 -3.4792 -2.5987 -2.5962 -2.4711 -2.4685 -0.9730 -0.9727 -0.3867 -0.3832 -0.3096 -0.3068 1.0354 1.0388 1.2157 1.2203 2.4337 2.4412 2.6882 2.6956 8.8558 8.8561 9.2849 9.2887 9.5725 9.5756 10.4066 10.4078 k = 0.5375 0.4434 0.1675 ( 4216 PWs) bands (ev): -25.3450 -25.3450 -19.8595 -19.8594 -19.0773 -19.0771 -15.8082 -15.8080 -9.3436 -9.3413 -9.0607 -9.0545 -8.8099 -8.8072 -8.7869 -8.7813 -7.9892 -7.9885 -5.7087 -5.7078 -3.4755 -3.4750 -2.6027 -2.5996 -2.4644 -2.4612 -0.9722 -0.9719 -0.3924 -0.3883 -0.3049 -0.3017 1.0297 1.0339 1.2195 1.2254 2.4307 2.4405 2.6898 2.6994 8.8605 8.8609 9.2692 9.2739 9.5797 9.5834 10.4131 10.4147 k = 0.5468 0.4337 0.1675 ( 4216 PWs) bands (ev): -25.3450 -25.3450 -19.8605 -19.8605 -19.0777 -19.0775 -15.8041 -15.8038 -9.3495 -9.3468 -9.0593 -9.0520 -8.8088 -8.8055 -8.7866 -8.7795 -7.9917 -7.9909 -5.7146 -5.7135 -3.4703 -3.4696 -2.6070 -2.6035 -2.4563 -2.4526 -0.9712 -0.9708 -0.3987 -0.3941 -0.2996 -0.2962 1.0229 1.0278 1.2243 1.2313 2.4275 2.4394 2.6920 2.7037 8.8665 8.8671 9.2507 9.2560 9.5881 9.5923 10.4213 10.4232 k = 0.5562 0.4240 0.1675 ( 4212 PWs) bands (ev): -25.3451 -25.3451 -19.8619 -19.8618 -19.0783 -19.0780 -15.7990 -15.7986 -9.3563 -9.3534 -9.0576 -9.0493 -8.8075 -8.8036 -8.7859 -8.7774 -7.9946 -7.9938 -5.7216 -5.7204 -3.4640 -3.4632 -2.6113 -2.6075 -2.4471 -2.4431 -0.9700 -0.9695 -0.4053 -0.4004 -0.2939 -0.2904 1.0152 1.0207 1.2299 1.2378 2.4241 2.4379 2.6950 2.7085 8.8738 8.8744 9.2298 9.2357 9.5975 9.6020 10.4308 10.4331 k = 0.5656 0.4143 0.1675 ( 4226 PWs) bands (ev): -25.3451 -25.3451 -19.8635 -19.8634 -19.0788 -19.0786 -15.7931 -15.7927 -9.3640 -9.3609 -9.0556 -9.0466 -8.8061 -8.8017 -8.7850 -8.7751 -7.9981 -7.9971 -5.7298 -5.7284 -3.4566 -3.4557 -2.6155 -2.6114 -2.4371 -2.4327 -0.9686 -0.9681 -0.4123 -0.4071 -0.2879 -0.2844 1.0069 1.0128 1.2362 1.2449 2.4205 2.4360 2.6984 2.7136 8.8823 8.8830 9.2073 9.2134 9.6077 9.6123 10.4415 10.4442 k = 0.5749 0.4046 0.1675 ( 4228 PWs) bands (ev): -25.3452 -25.3452 -19.8653 -19.8652 -19.0794 -19.0791 -15.7863 -15.7858 -9.3723 -9.3692 -9.0534 -9.0438 -8.8046 -8.7997 -8.7837 -8.7725 -8.0020 -8.0009 -5.7391 -5.7375 -3.4483 -3.4473 -2.6194 -2.6150 -2.4264 -2.4218 -0.9671 -0.9666 -0.4193 -0.4139 -0.2818 -0.2784 0.9980 1.0042 1.2430 1.2523 2.4170 2.4340 2.7024 2.7191 8.8918 8.8926 9.1835 9.1898 9.6184 9.6231 10.4532 10.4563 k = 0.5843 0.3949 0.1675 ( 4228 PWs) bands (ev): -25.3453 -25.3453 -19.8674 -19.8673 -19.0800 -19.0797 -15.7787 -15.7782 -9.3813 -9.3782 -9.0510 -9.0411 -8.8032 -8.7979 -8.7819 -8.7698 -8.0063 -8.0052 -5.7493 -5.7475 -3.4392 -3.4380 -2.6229 -2.6182 -2.4152 -2.4103 -0.9656 -0.9649 -0.4264 -0.4209 -0.2756 -0.2724 0.9886 0.9951 1.2502 1.2601 2.4135 2.4319 2.7066 2.7247 8.9023 8.9032 9.1588 9.1652 9.6294 9.6341 10.4657 10.4690 k = 0.4157-0.4310 0.4085 ( 4228 PWs) bands (ev): -25.3453 -25.3453 -19.8674 -19.8673 -19.0800 -19.0797 -15.7787 -15.7782 -9.3813 -9.3782 -9.0510 -9.0411 -8.8032 -8.7979 -8.7819 -8.7698 -8.0063 -8.0052 -5.7493 -5.7475 -3.4392 -3.4380 -2.6229 -2.6182 -2.4152 -2.4103 -0.9656 -0.9649 -0.4264 -0.4209 -0.2756 -0.2724 0.9886 0.9951 1.2502 1.2601 2.4135 2.4319 2.7066 2.7247 8.9023 8.9032 9.1588 9.1652 9.6294 9.6341 10.4657 10.4690 k = 0.4058-0.4207 0.4085 ( 4238 PWs) bands (ev): -25.3454 -25.3454 -19.8699 -19.8698 -19.0806 -19.0802 -15.7699 -15.7693 -9.3914 -9.3883 -9.0485 -9.0383 -8.8018 -8.7963 -8.7797 -8.7667 -8.0112 -8.0101 -5.7610 -5.7590 -3.4286 -3.4274 -2.6259 -2.6211 -2.4030 -2.3979 -0.9638 -0.9631 -0.4339 -0.4283 -0.2690 -0.2660 0.9783 0.9849 1.2580 1.2685 2.4100 2.4296 2.7115 2.7307 8.9144 8.9154 9.1323 9.1387 9.6415 9.6461 10.4793 10.4830 k = 0.3959-0.4104 0.4085 ( 4246 PWs) bands (ev): -25.3455 -25.3455 -19.8728 -19.8727 -19.0811 -19.0807 -15.7603 -15.7597 -9.4018 -9.3989 -9.0460 -9.0356 -8.8004 -8.7948 -8.7770 -8.7636 -8.0165 -8.0155 -5.7736 -5.7715 -3.4172 -3.4159 -2.6283 -2.6233 -2.3905 -2.3851 -0.9620 -0.9612 -0.4414 -0.4356 -0.2625 -0.2598 0.9678 0.9745 1.2662 1.2770 2.4067 2.4274 2.7165 2.7368 8.9273 8.9284 9.1056 9.1120 9.6537 9.6583 10.4930 10.4971 k = 0.3860-0.4002 0.4085 ( 4246 PWs) bands (ev): -25.3456 -25.3456 -19.8760 -19.8758 -19.0815 -19.0811 -15.7499 -15.7492 -9.4127 -9.4098 -9.0436 -9.0330 -8.7991 -8.7935 -8.7741 -8.7604 -8.0222 -8.0212 -5.7870 -5.7847 -3.4052 -3.4038 -2.6298 -2.6247 -2.3777 -2.3722 -0.9603 -0.9594 -0.4487 -0.4429 -0.2560 -0.2535 0.9570 0.9637 1.2745 1.2858 2.4038 2.4254 2.7216 2.7429 8.9410 8.9421 9.0792 9.0854 9.6662 9.6706 10.5067 10.5111 k = 0.3761-0.3899 0.4085 ( 4246 PWs) bands (ev): -25.3457 -25.3457 -19.8795 -19.8793 -19.0817 -19.0813 -15.7388 -15.7381 -9.4238 -9.4210 -9.0414 -9.0305 -8.7980 -8.7923 -8.7712 -8.7572 -8.0281 -8.0272 -5.8010 -5.7986 -3.3925 -3.3910 -2.6306 -2.6253 -2.3648 -2.3590 -0.9585 -0.9576 -0.4560 -0.4502 -0.2495 -0.2473 0.9460 0.9528 1.2830 1.2946 2.4012 2.4236 2.7268 2.7488 8.9552 8.9564 9.0533 9.0593 9.6787 9.6831 10.5198 10.5246 k = 0.3662-0.3797 0.4085 ( 4240 PWs) bands (ev): -25.3458 -25.3458 -19.8833 -19.8831 -19.0818 -19.0813 -15.7271 -15.7263 -9.4351 -9.4324 -9.0394 -9.0281 -8.7969 -8.7912 -8.7682 -8.7542 -8.0342 -8.0335 -5.8156 -5.8131 -3.3793 -3.3777 -2.6305 -2.6250 -2.3518 -2.3459 -0.9569 -0.9559 -0.4632 -0.4573 -0.2430 -0.2412 0.9350 0.9418 1.2917 1.3035 2.3991 2.4221 2.7320 2.7547 8.9696 8.9710 9.0282 9.0339 9.6913 9.6956 10.5319 10.5371 k = 0.3563-0.3694 0.4085 ( 4240 PWs) bands (ev): -25.3459 -25.3459 -19.8874 -19.8872 -19.0817 -19.0811 -15.7148 -15.7140 -9.4465 -9.4438 -9.0377 -9.0258 -8.7960 -8.7902 -8.7655 -8.7513 -8.0405 -8.0400 -5.8307 -5.8281 -3.3656 -3.3640 -2.6294 -2.6237 -2.3388 -2.3327 -0.9554 -0.9544 -0.4702 -0.4643 -0.2366 -0.2352 0.9239 0.9307 1.3005 1.3125 2.3974 2.4210 2.7371 2.7604 8.9827 8.9856 9.0049 9.0101 9.7039 9.7080 10.5426 10.5482 k = 0.3464-0.3591 0.4085 ( 4248 PWs) bands (ev): -25.3461 -25.3461 -19.8920 -19.8918 -19.0813 -19.0808 -15.7020 -15.7012 -9.4581 -9.4552 -9.0363 -9.0237 -8.7952 -8.7893 -8.7629 -8.7486 -8.0471 -8.0467 -5.8462 -5.8435 -3.3516 -3.3500 -2.6274 -2.6215 -2.3259 -2.3195 -0.9541 -0.9530 -0.4772 -0.4713 -0.2302 -0.2292 0.9129 0.9196 1.3093 1.3215 2.3962 2.4203 2.7421 2.7659 8.9771 8.9840 9.0006 9.0047 9.7163 9.7203 10.5514 10.5574 k = 0.3365-0.3489 0.4085 ( 4244 PWs) bands (ev): -25.3462 -25.3462 -19.8968 -19.8966 -19.0807 -19.0801 -15.6887 -15.6879 -9.4696 -9.4666 -9.0351 -9.0215 -8.7946 -8.7884 -8.7607 -8.7461 -8.0539 -8.0533 -5.8619 -5.8591 -3.3374 -3.3357 -2.6244 -2.6184 -2.3130 -2.3064 -0.9530 -0.9518 -0.4840 -0.4781 -0.2238 -0.2232 0.9018 0.9086 1.3183 1.3306 2.3954 2.4199 2.7470 2.7712 8.9562 8.9620 9.0154 9.0179 9.7284 9.7324 10.5577 10.5641 k = 0.3266-0.3386 0.4085 ( 4250 PWs) bands (ev): -25.3464 -25.3464 -19.9020 -19.9017 -19.0798 -19.0792 -15.6751 -15.6742 -9.4812 -9.4778 -9.0343 -9.0195 -8.7941 -8.7876 -8.7588 -8.7439 -8.0609 -8.0600 -5.8779 -5.8750 -3.3230 -3.3213 -2.6203 -2.6142 -2.3003 -2.2935 -0.9521 -0.9508 -0.4908 -0.4849 -0.2175 -0.2172 0.8909 0.8976 1.3274 1.3398 2.3952 2.4200 2.7518 2.7763 8.9354 8.9407 9.0300 9.0323 9.7402 9.7441 10.5610 10.5677 k = 0.3167-0.3284 0.4085 ( 4250 PWs) bands (ev): -25.3465 -25.3465 -19.9074 -19.9072 -19.0786 -19.0780 -15.6611 -15.6602 -9.4926 -9.4890 -9.0338 -9.0176 -8.7938 -8.7868 -8.7572 -8.7420 -8.0680 -8.0666 -5.8940 -5.8911 -3.3086 -3.3067 -2.6153 -2.6090 -2.2877 -2.2806 -0.9514 -0.9502 -0.4975 -0.4916 -0.2114 -0.2111 0.8801 0.8867 1.3366 1.3491 2.3955 2.4206 2.7563 2.7812 8.9157 8.9207 9.0441 9.0464 9.7515 9.7554 10.5604 10.5676 k = 0.3068-0.3181 0.4085 ( 4252 PWs) bands (ev): -25.3467 -25.3467 -19.9132 -19.9129 -19.0771 -19.0765 -15.6469 -15.6459 -9.5039 -9.5001 -9.0336 -9.0158 -8.7937 -8.7861 -8.7560 -8.7403 -8.0751 -8.0732 -5.9102 -5.9072 -3.2941 -3.2922 -2.6093 -2.6027 -2.2753 -2.2680 -0.9511 -0.9497 -0.5041 -0.4983 -0.2055 -0.2048 0.8694 0.8760 1.3459 1.3585 2.3963 2.4216 2.7608 2.7859 8.8973 8.9018 9.0577 9.0600 9.7622 9.7661 10.5550 10.5626 k = 0.2969-0.3078 0.4085 ( 4256 PWs) bands (ev): -25.3469 -25.3469 -19.9192 -19.9190 -19.0753 -19.0747 -15.6324 -15.6314 -9.5151 -9.5110 -9.0337 -9.0141 -8.7938 -8.7855 -8.7552 -8.7389 -8.0823 -8.0797 -5.9264 -5.9234 -3.2796 -3.2778 -2.6022 -2.5955 -2.2630 -2.2555 -0.9510 -0.9496 -0.5108 -0.5051 -0.1996 -0.1985 0.8590 0.8655 1.3554 1.3679 2.3976 2.4231 2.7650 2.7904 8.8801 8.8843 9.0704 9.0729 9.7722 9.7760 10.5355 10.5409 k = 0.2870-0.2976 0.4085 ( 4252 PWs) bands (ev): -25.3470 -25.3470 -19.9255 -19.9253 -19.0732 -19.0725 -15.6178 -15.6168 -9.5261 -9.5217 -9.0340 -9.0125 -8.7941 -8.7850 -8.7545 -8.7377 -8.0894 -8.0862 -5.9426 -5.9395 -3.2653 -3.2634 -2.5941 -2.5872 -2.2510 -2.2432 -0.9513 -0.9499 -0.5175 -0.5118 -0.1938 -0.1923 0.8488 0.8552 1.3649 1.3775 2.3995 2.4250 2.7692 2.7947 8.8641 8.8679 9.0821 9.0847 9.7814 9.7852 10.4560 10.4593 k = 0.2771-0.2873 0.4085 ( 4250 PWs) bands (ev): -25.3472 -25.3472 -19.9320 -19.9318 -19.0708 -19.0701 -15.6032 -15.6022 -9.5370 -9.5322 -9.0346 -9.0111 -8.7947 -8.7846 -8.7541 -8.7367 -8.0965 -8.0927 -5.9586 -5.9555 -3.2512 -3.2493 -2.5851 -2.5780 -2.2392 -2.2312 -0.9518 -0.9504 -0.5242 -0.5186 -0.1881 -0.1862 0.8388 0.8452 1.3745 1.3871 2.4018 2.4274 2.7732 2.7988 8.8492 8.8527 9.0926 9.0953 9.7896 9.7934 10.3659 10.3693 k = 0.2672-0.2770 0.4085 ( 4250 PWs) bands (ev): -25.3473 -25.3473 -19.9388 -19.9385 -19.0680 -19.0673 -15.5886 -15.5875 -9.5476 -9.5426 -9.0354 -9.0099 -8.7956 -8.7842 -8.7538 -8.7359 -8.1037 -8.0990 -5.9744 -5.9714 -3.2373 -3.2354 -2.5750 -2.5677 -2.2276 -2.2193 -0.9527 -0.9513 -0.5310 -0.5255 -0.1824 -0.1801 0.8292 0.8355 1.3841 1.3967 2.4046 2.4302 2.7770 2.8027 8.8354 8.8385 9.1017 9.1046 9.7968 9.8006 10.2766 10.2802 k = 0.2573-0.2668 0.4085 ( 4248 PWs) bands (ev): -25.3475 -25.3475 -19.9457 -19.9454 -19.0650 -19.0643 -15.5739 -15.5729 -9.5580 -9.5527 -9.0363 -9.0088 -8.7969 -8.7839 -8.7535 -8.7353 -8.1107 -8.1053 -5.9901 -5.9871 -3.2236 -3.2217 -2.5640 -2.5565 -2.2163 -2.2077 -0.9539 -0.9525 -0.5378 -0.5324 -0.1769 -0.1742 0.8198 0.8261 1.3938 1.4063 2.4079 2.4335 2.7807 2.8064 8.8225 8.8252 9.1092 9.1123 9.8028 9.8067 10.1892 10.1929 k = 0.2474-0.2565 0.4085 ( 4248 PWs) bands (ev): -25.3477 -25.3477 -19.9527 -19.9525 -19.0617 -19.0610 -15.5594 -15.5584 -9.5682 -9.5627 -9.0374 -9.0079 -8.7984 -8.7836 -8.7533 -8.7349 -8.1177 -8.1115 -6.0055 -6.0025 -3.2103 -3.2084 -2.5521 -2.5444 -2.2052 -2.1964 -0.9555 -0.9540 -0.5448 -0.5394 -0.1715 -0.1685 0.8109 0.8171 1.4035 1.4158 2.4116 2.4373 2.7843 2.8101 8.8103 8.8126 9.1150 9.1183 9.8075 9.8115 10.1042 10.1080 k = 0.2375-0.2463 0.4085 ( 4246 PWs) bands (ev): -25.3479 -25.3479 -19.9599 -19.9596 -19.0582 -19.0575 -15.5451 -15.5441 -9.5782 -9.5725 -9.0387 -9.0071 -8.8001 -8.7834 -8.7531 -8.7346 -8.1246 -8.1176 -6.0206 -6.0177 -3.1973 -3.1955 -2.5393 -2.5315 -2.1943 -2.1853 -0.9573 -0.9559 -0.5518 -0.5465 -0.1663 -0.1630 0.8024 0.8086 1.4131 1.4253 2.4159 2.4415 2.7878 2.8135 8.7986 8.8006 9.1188 9.1223 9.8106 9.8148 10.0221 10.0261 k = 0.2276-0.2360 0.4085 ( 4238 PWs) bands (ev): -25.3480 -25.3480 -19.9671 -19.9668 -19.0544 -19.0537 -15.5310 -15.5299 -9.5879 -9.5820 -9.0400 -9.0065 -8.8021 -8.7831 -8.7529 -8.7344 -8.1315 -8.1237 -6.0354 -6.0325 -3.1848 -3.1829 -2.5257 -2.5177 -2.1838 -2.1745 -0.9595 -0.9581 -0.5588 -0.5536 -0.1614 -0.1578 0.7943 0.8005 1.4226 1.4347 2.4206 2.4461 2.7912 2.8169 8.7874 8.7890 9.1206 9.1244 9.8112 9.8158 9.9445 9.9482 k = 0.2177-0.2257 0.4085 ( 4246 PWs) bands (ev): -25.3482 -25.3482 -19.9744 -19.9741 -19.0505 -19.0498 -15.5171 -15.5161 -9.5974 -9.5914 -9.0414 -9.0061 -8.8042 -8.7829 -8.7527 -8.7344 -8.1382 -8.1297 -6.0499 -6.0471 -3.1726 -3.1708 -2.5114 -2.5031 -2.1735 -2.1639 -0.9620 -0.9606 -0.5659 -0.5608 -0.1567 -0.1529 0.7867 0.7928 1.4319 1.4438 2.4258 2.4512 2.7945 2.8201 8.7763 8.7775 9.1202 9.1242 9.8042 9.8100 9.8764 9.8793 k = 0.2078-0.2155 0.4085 ( 4246 PWs) bands (ev): -25.3484 -25.3484 -19.9816 -19.9814 -19.0464 -19.0457 -15.5036 -15.5025 -9.6067 -9.6006 -9.0428 -9.0059 -8.8064 -8.7827 -8.7524 -8.7344 -8.1449 -8.1356 -6.0640 -6.0613 -3.1609 -3.1591 -2.4963 -2.4879 -2.1635 -2.1538 -0.9647 -0.9634 -0.5730 -0.5680 -0.1524 -0.1484 0.7797 0.7857 1.4409 1.4527 2.4316 2.4568 2.7976 2.8231 8.7651 8.7661 9.1174 9.1217 9.7681 9.7748 9.8405 9.8421 k = 0.1980-0.2052 0.4085 ( 4242 PWs) bands (ev): -25.3485 -25.3485 -19.9889 -19.9886 -19.0421 -19.0414 -15.4904 -15.4894 -9.6157 -9.6095 -9.0441 -9.0058 -8.8086 -8.7824 -8.7522 -8.7345 -8.1515 -8.1415 -6.0777 -6.0750 -3.1497 -3.1480 -2.4805 -2.4720 -2.1539 -2.1439 -0.9677 -0.9665 -0.5800 -0.5751 -0.1485 -0.1443 0.7732 0.7791 1.4497 1.4613 2.4377 2.4628 2.8007 2.8260 8.7538 8.7544 9.1122 9.1167 9.7065 9.7128 9.8328 9.8350 k = 0.1881-0.1950 0.4085 ( 4240 PWs) bands (ev): -25.3487 -25.3487 -19.9960 -19.9957 -19.0378 -19.0371 -15.4776 -15.4766 -9.6244 -9.6182 -9.0455 -9.0059 -8.8107 -8.7821 -8.7520 -8.7346 -8.1580 -8.1473 -6.0910 -6.0884 -3.1390 -3.1373 -2.4642 -2.4555 -2.1447 -2.1345 -0.9710 -0.9699 -0.5870 -0.5822 -0.1450 -0.1406 0.7672 0.7731 1.4581 1.4694 2.4444 2.4693 2.8036 2.8288 8.7420 8.7424 9.1044 9.1091 9.6424 9.6486 9.8312 9.8337 k = 0.1782-0.1847 0.4085 ( 4238 PWs) bands (ev): -25.3488 -25.3488 -20.0030 -20.0028 -19.0333 -19.0327 -15.4652 -15.4643 -9.6329 -9.6267 -9.0467 -9.0062 -8.8126 -8.7818 -8.7517 -8.7348 -8.1643 -8.1531 -6.1037 -6.1012 -3.1288 -3.1271 -2.4474 -2.4386 -2.1359 -2.1255 -0.9745 -0.9735 -0.5939 -0.5892 -0.1420 -0.1375 0.7619 0.7677 1.4661 1.4772 2.4516 2.4762 2.8064 2.8313 8.7297 8.7300 9.0940 9.0988 9.5808 9.5870 9.8311 9.8337 k = 0.1683-0.1744 0.4085 ( 4240 PWs) bands (ev): -25.3490 -25.3490 -20.0099 -20.0096 -19.0289 -19.0283 -15.4533 -15.4524 -9.6411 -9.6350 -9.0478 -9.0066 -8.8143 -8.7814 -8.7516 -8.7351 -8.1705 -8.1588 -6.1160 -6.1136 -3.1192 -3.1175 -2.4302 -2.4212 -2.1276 -2.1170 -0.9781 -0.9772 -0.6007 -0.5961 -0.1395 -0.1349 0.7571 0.7629 1.4736 1.4844 2.4591 2.4834 2.8091 2.8337 8.7167 8.7172 9.0808 9.0858 9.5230 9.5292 9.8318 9.8346 k = 0.1584-0.1642 0.4085 ( 4232 PWs) bands (ev): -25.3491 -25.3491 -20.0165 -20.0163 -19.0245 -19.0239 -15.4420 -15.4411 -9.6489 -9.6430 -9.0487 -9.0072 -8.8157 -8.7810 -8.7515 -8.7355 -8.1765 -8.1644 -6.1277 -6.1255 -3.1100 -3.1085 -2.4126 -2.4035 -2.1198 -2.1091 -0.9819 -0.9811 -0.6072 -0.6027 -0.1375 -0.1328 0.7530 0.7587 1.4806 1.4910 2.4672 2.4911 2.8116 2.8358 8.7031 8.7038 9.0649 9.0700 9.4695 9.4757 9.8334 9.8362 k = 0.1485-0.1539 0.4085 ( 4230 PWs) bands (ev): -25.3493 -25.3493 -20.0230 -20.0228 -19.0201 -19.0195 -15.4312 -15.4303 -9.6565 -9.6507 -9.0494 -9.0079 -8.8168 -8.7805 -8.7514 -8.7359 -8.1824 -8.1700 -6.1390 -6.1368 -3.1015 -3.0999 -2.3947 -2.3855 -2.1126 -2.1019 -0.9858 -0.9851 -0.6135 -0.6091 -0.1359 -0.1313 0.7495 0.7550 1.4871 1.4971 2.4756 2.4991 2.8139 2.8378 8.6890 8.6900 9.0464 9.0513 9.4206 9.4268 9.8359 9.8387 k = 0.1386-0.1437 0.4085 ( 4236 PWs) bands (ev): -25.3494 -25.3494 -20.0292 -20.0290 -19.0158 -19.0153 -15.4209 -15.4201 -9.6637 -9.6581 -9.0499 -9.0088 -8.8176 -8.7800 -8.7515 -8.7364 -8.1880 -8.1755 -6.1496 -6.1476 -3.0935 -3.0920 -2.3767 -2.3674 -2.1061 -2.0953 -0.9897 -0.9891 -0.6195 -0.6153 -0.1349 -0.1303 0.7465 0.7519 1.4929 1.5025 2.4843 2.5074 2.8160 2.8394 8.6746 8.6757 9.0253 9.0301 9.3764 9.3824 9.8393 9.8422 k = 0.1287-0.1334 0.4085 ( 4238 PWs) bands (ev): -25.3496 -25.3496 -20.0351 -20.0349 -19.0116 -19.0111 -15.4113 -15.4105 -9.6706 -9.6652 -9.0502 -9.0098 -8.8179 -8.7796 -8.7516 -8.7369 -8.1934 -8.1809 -6.1596 -6.1577 -3.0860 -3.0846 -2.3586 -2.3492 -2.1004 -2.0895 -0.9937 -0.9932 -0.6252 -0.6211 -0.1344 -0.1299 0.7442 0.7493 1.4982 1.5073 2.4934 2.5158 2.8180 2.8408 8.6600 8.6613 9.0020 9.0065 9.3370 9.3427 9.8438 9.8467 k = 0.1188-0.1231 0.4085 ( 4232 PWs) bands (ev): -25.3497 -25.3497 -20.0407 -20.0406 -19.0076 -19.0071 -15.4023 -15.4015 -9.6770 -9.6719 -9.0502 -9.0110 -8.8178 -8.7791 -8.7517 -8.7376 -8.1984 -8.1861 -6.1690 -6.1673 -3.0791 -3.0778 -2.3405 -2.3311 -2.0955 -2.0846 -0.9975 -0.9971 -0.6306 -0.6267 -0.1343 -0.1299 0.7423 0.7473 1.5028 1.5115 2.5026 2.5243 2.8197 2.8418 8.6455 8.6470 8.9768 8.9810 9.3021 9.3074 9.8493 9.8522 k = 0.1089-0.1129 0.4085 ( 4234 PWs) bands (ev): -25.3498 -25.3498 -20.0460 -20.0458 -19.0038 -19.0033 -15.3939 -15.3932 -9.6831 -9.6783 -9.0500 -9.0123 -8.8174 -8.7788 -8.7520 -8.7383 -8.2032 -8.1911 -6.1778 -6.1762 -3.0728 -3.0716 -2.3226 -2.3131 -2.0914 -2.0806 -1.0013 -1.0010 -0.6356 -0.6318 -0.1346 -0.1303 0.7409 0.7457 1.5069 1.5150 2.5119 2.5329 2.8213 2.8426 8.6313 8.6329 8.9504 8.9542 9.2715 9.2763 9.8556 9.8585 k = 0.0990-0.1026 0.4085 ( 4236 PWs) bands (ev): -25.3499 -25.3499 -20.0509 -20.0507 -19.0002 -18.9998 -15.3862 -15.3855 -9.6887 -9.6843 -9.0495 -9.0138 -8.8165 -8.7786 -8.7522 -8.7390 -8.2076 -8.1960 -6.1859 -6.1844 -3.0670 -3.0659 -2.3049 -2.2954 -2.0883 -2.0776 -1.0049 -1.0047 -0.6402 -0.6366 -0.1352 -0.1312 0.7400 0.7444 1.5105 1.5180 2.5213 2.5413 2.8227 2.8430 8.6177 8.6194 8.9234 8.9267 9.2447 9.2490 9.8626 9.8655 k = 0.0891-0.0923 0.4085 ( 4240 PWs) bands (ev): -25.3500 -25.3500 -20.0554 -20.0552 -18.9968 -18.9964 -15.3791 -15.3786 -9.6939 -9.6898 -9.0488 -9.0154 -8.8152 -8.7785 -8.7525 -8.7398 -8.2117 -8.2006 -6.1933 -6.1919 -3.0618 -3.0608 -2.2875 -2.2781 -2.0862 -2.0756 -1.0083 -1.0081 -0.6443 -0.6410 -0.1361 -0.1323 0.7394 0.7436 1.5135 1.5204 2.5305 2.5494 2.8239 2.8430 8.6050 8.6068 8.8965 8.8993 9.2214 9.2252 9.8700 9.8728 k = 0.0792-0.0821 0.4085 ( 4242 PWs) bands (ev): -25.3501 -25.3501 -20.0595 -20.0593 -18.9937 -18.9934 -15.3728 -15.3723 -9.6986 -9.6949 -9.0478 -9.0171 -8.8136 -8.7787 -8.7526 -8.7407 -8.2153 -8.2050 -6.1999 -6.1987 -3.0572 -3.0562 -2.2706 -2.2614 -2.0851 -2.0747 -1.0115 -1.0113 -0.6480 -0.6450 -0.1371 -0.1336 0.7392 0.7430 1.5161 1.5223 2.5395 2.5571 2.8249 2.8428 8.5933 8.5952 8.8703 8.8727 9.2011 9.2044 9.8775 9.8802 k = 0.0693-0.0718 0.4085 ( 4238 PWs) bands (ev): -25.3502 -25.3502 -20.0631 -20.0630 -18.9909 -18.9906 -15.3672 -15.3667 -9.7027 -9.6995 -9.0466 -9.0189 -8.8116 -8.7793 -8.7527 -8.7416 -8.2185 -8.2091 -6.2058 -6.2047 -3.0531 -3.0522 -2.2544 -2.2453 -2.0850 -2.0749 -1.0144 -1.0142 -0.6513 -0.6485 -0.1383 -0.1351 0.7392 0.7426 1.5182 1.5238 2.5481 2.5642 2.8259 2.8422 8.5830 8.5848 8.8454 8.8475 9.1838 9.1866 9.8849 9.8874 k = 0.0594-0.0616 0.4085 ( 4238 PWs) bands (ev): -25.3503 -25.3503 -20.0663 -20.0662 -18.9884 -18.9882 -15.3623 -15.3619 -9.7064 -9.7035 -9.0452 -9.0208 -8.8094 -8.7801 -8.7526 -8.7426 -8.2212 -8.2128 -6.2109 -6.2100 -3.0495 -3.0488 -2.2390 -2.2302 -2.0858 -2.0761 -1.0169 -1.0167 -0.6541 -0.6516 -0.1394 -0.1366 0.7394 0.7424 1.5200 1.5248 2.5562 2.5705 2.8268 2.8414 8.5742 8.5759 8.8225 8.8243 9.1690 9.1713 9.8918 9.8941 k = 0.0495-0.0513 0.4085 ( 4244 PWs) bands (ev): -25.3503 -25.3503 -20.0690 -20.0690 -18.9863 -18.9861 -15.3581 -15.3578 -9.7094 -9.7070 -9.0436 -9.0228 -8.8069 -8.7814 -8.7523 -8.7436 -8.2234 -8.2162 -6.2153 -6.2146 -3.0465 -3.0459 -2.2247 -2.2163 -2.0873 -2.0782 -1.0191 -1.0189 -0.6564 -0.6543 -0.1405 -0.1381 0.7397 0.7423 1.5214 1.5255 2.5636 2.5760 2.8277 2.8403 8.5668 8.5684 8.8021 8.8035 9.1566 9.1585 9.8980 9.9000 k = 0.0396-0.0410 0.4085 ( 4246 PWs) bands (ev): -25.3504 -25.3504 -20.0713 -20.0712 -18.9845 -18.9844 -15.3547 -15.3544 -9.7119 -9.7100 -9.0418 -9.0249 -8.8042 -8.7831 -8.7519 -8.7446 -8.2250 -8.2191 -6.2189 -6.2183 -3.0440 -3.0436 -2.2116 -2.2040 -2.0894 -2.0812 -1.0209 -1.0208 -0.6583 -0.6566 -0.1415 -0.1395 0.7402 0.7422 1.5226 1.5259 2.5701 2.5804 2.8287 2.8391 8.5610 8.5623 8.7846 8.7858 9.1466 9.1481 9.9034 9.9051 k = 0.0297-0.0308 0.4085 ( 4248 PWs) bands (ev): -25.3504 -25.3504 -20.0731 -20.0730 -18.9832 -18.9830 -15.3520 -15.3518 -9.7138 -9.7124 -9.0399 -9.0270 -8.8014 -8.7851 -8.7513 -8.7457 -8.2262 -8.2216 -6.2217 -6.2213 -3.0421 -3.0418 -2.2001 -2.1936 -2.0916 -2.0847 -1.0223 -1.0222 -0.6597 -0.6584 -0.1422 -0.1407 0.7406 0.7422 1.5236 1.5261 2.5758 2.5837 2.8297 2.8377 8.5566 8.5577 8.7705 8.7714 9.1389 9.1400 9.9078 9.9091 k = 0.0198-0.0205 0.4085 ( 4244 PWs) bands (ev): -25.3504 -25.3504 -20.0743 -20.0743 -18.9821 -18.9820 -15.3501 -15.3500 -9.7151 -9.7142 -9.0379 -9.0292 -8.7985 -8.7874 -8.7505 -8.7467 -8.2267 -8.2237 -6.2237 -6.2234 -3.0407 -3.0405 -2.1908 -2.1859 -2.0935 -2.0883 -1.0233 -1.0232 -0.6606 -0.6597 -0.1427 -0.1417 0.7410 0.7421 1.5244 1.5261 2.5803 2.5857 2.8308 2.8362 8.5537 8.5545 8.7602 8.7608 9.1335 9.1342 9.9111 9.9119 k = 0.0099-0.0103 0.4085 ( 4242 PWs) bands (ev): -25.3505 -25.3505 -20.0751 -20.0750 -18.9815 -18.9815 -15.3489 -15.3489 -9.7158 -9.7153 -9.0358 -9.0314 -8.7956 -8.7899 -8.7497 -8.7477 -8.2268 -8.2252 -6.2248 -6.2247 -3.0399 -3.0398 -2.1842 -2.1815 -2.0943 -2.0915 -1.0239 -1.0239 -0.6610 -0.6606 -0.1430 -0.1424 0.7414 0.7419 1.5250 1.5259 2.5836 2.5863 2.8320 2.8348 8.5521 8.5525 8.7539 8.7542 9.1303 9.1306 9.9131 9.9136 k = 0.0000 0.0000 0.4085 ( 4238 PWs) bands (ev): -25.3505 -25.3505 -20.0753 -20.0753 -18.9813 -18.9813 -15.3485 -15.3485 -9.7159 -9.7159 -9.0336 -9.0336 -8.7927 -8.7927 -8.7487 -8.7487 -8.2263 -8.2263 -6.2251 -6.2251 -3.0395 -3.0395 -2.1809 -2.1809 -2.0936 -2.0936 -1.0241 -1.0241 -0.6610 -0.6610 -0.1429 -0.1429 0.7417 0.7417 1.5255 1.5255 2.5856 2.5856 2.8333 2.8333 8.5517 8.5517 8.7519 8.7519 9.1293 9.1293 9.9140 9.9140 k = 0.0000 0.0000 0.4085 ( 4238 PWs) bands (ev): -25.3505 -25.3505 -20.0753 -20.0753 -18.9813 -18.9813 -15.3485 -15.3485 -9.7159 -9.7159 -9.0336 -9.0336 -8.7927 -8.7927 -8.7487 -8.7487 -8.2263 -8.2263 -6.2251 -6.2251 -3.0395 -3.0395 -2.1809 -2.1809 -2.0936 -2.0936 -1.0241 -1.0241 -0.6610 -0.6610 -0.1429 -0.1429 0.7417 0.7417 1.5255 1.5255 2.5856 2.5856 2.8333 2.8333 8.5517 8.5517 8.7519 8.7519 9.1293 9.1293 9.9140 9.9140 k = 0.0104 0.0100 0.4085 ( 4244 PWs) bands (ev): -25.3505 -25.3505 -20.0751 -20.0751 -18.9814 -18.9814 -15.3491 -15.3490 -9.7158 -9.7156 -9.0345 -9.0325 -8.7945 -8.7908 -8.7488 -8.7487 -8.2267 -8.2250 -6.2246 -6.2246 -3.0401 -3.0400 -2.1812 -2.1812 -2.0943 -2.0941 -1.0247 -1.0243 -0.6609 -0.6607 -0.1432 -0.1427 0.7422 0.7427 1.5250 1.5253 2.5853 2.5854 2.8327 2.8328 8.5536 8.5536 8.7532 8.7534 9.1299 9.1305 9.9013 9.9051 k = 0.0208 0.0200 0.4085 ( 4241 PWs) bands (ev): -25.3504 -25.3504 -20.0744 -20.0744 -18.9817 -18.9817 -15.3506 -15.3505 -9.7153 -9.7149 -9.0353 -9.0313 -8.7961 -8.7888 -8.7491 -8.7489 -8.2261 -8.2227 -6.2231 -6.2231 -3.0417 -3.0415 -2.1821 -2.1821 -2.0961 -2.0958 -1.0260 -1.0253 -0.6603 -0.6599 -0.1437 -0.1427 0.7443 0.7451 1.5238 1.5245 2.5845 2.5847 2.8309 2.8310 8.5593 8.5593 8.7572 8.7577 9.1321 9.1334 9.8717 9.8780 k = 0.0312 0.0301 0.4085 ( 4243 PWs) bands (ev): -25.3504 -25.3504 -20.0734 -20.0733 -18.9822 -18.9822 -15.3531 -15.3530 -9.7144 -9.7139 -9.0359 -9.0301 -8.7975 -8.7868 -8.7494 -8.7492 -8.2247 -8.2196 -6.2205 -6.2204 -3.0443 -3.0440 -2.1835 -2.1835 -2.0990 -2.0985 -1.0280 -1.0270 -0.6592 -0.6586 -0.1444 -0.1428 0.7477 0.7490 1.5219 1.5230 2.5832 2.5835 2.8279 2.8280 8.5687 8.5688 8.7639 8.7645 9.1360 9.1381 9.8323 9.8398 k = 0.0416 0.0401 0.4085 ( 4245 PWs) bands (ev): -25.3504 -25.3504 -20.0719 -20.0718 -18.9829 -18.9829 -15.3567 -15.3565 -9.7131 -9.7124 -9.0362 -9.0288 -8.7987 -8.7848 -8.7499 -8.7496 -8.2222 -8.2157 -6.2168 -6.2168 -3.0479 -3.0475 -2.1855 -2.1854 -2.1030 -2.1024 -1.0307 -1.0295 -0.6576 -0.6568 -0.1452 -0.1431 0.7526 0.7543 1.5194 1.5208 2.5814 2.5819 2.8238 2.8240 8.5818 8.5819 8.7728 8.7737 9.1416 9.1444 9.7885 9.7964 k = 0.0520 0.0501 0.4085 ( 4245 PWs) bands (ev): -25.3503 -25.3503 -20.0700 -20.0699 -18.9839 -18.9838 -15.3612 -15.3610 -9.7115 -9.7106 -9.0364 -9.0275 -8.7996 -8.7829 -8.7504 -8.7502 -8.2189 -8.2110 -6.2121 -6.2121 -3.0525 -3.0520 -2.1880 -2.1880 -2.1081 -2.1074 -1.0341 -1.0325 -0.6555 -0.6545 -0.1460 -0.1435 0.7588 0.7608 1.5161 1.5179 2.5791 2.5797 2.8187 2.8188 8.5986 8.5987 8.7837 8.7849 9.1489 9.1525 9.7436 9.7515 k = 0.0623 0.0601 0.4085 ( 4245 PWs) bands (ev): -25.3502 -25.3502 -20.0676 -20.0676 -18.9850 -18.9850 -15.3667 -15.3665 -9.7095 -9.7083 -9.0363 -9.0263 -8.8003 -8.7810 -8.7511 -8.7508 -8.2147 -8.2055 -6.2065 -6.2064 -3.0581 -3.0575 -2.1911 -2.1910 -2.1144 -2.1136 -1.0380 -1.0362 -0.6529 -0.6518 -0.1468 -0.1439 0.7662 0.7686 1.5123 1.5143 2.5764 2.5771 2.8125 2.8127 8.6189 8.6190 8.7961 8.7976 9.1576 9.1620 9.6999 9.7076 k = 0.0727 0.0702 0.4085 ( 4238 PWs) bands (ev): -25.3502 -25.3502 -20.0649 -20.0648 -18.9863 -18.9863 -15.3731 -15.3729 -9.7071 -9.7057 -9.0359 -9.0251 -8.8005 -8.7791 -8.7518 -8.7516 -8.2096 -8.1993 -6.1998 -6.1998 -3.0646 -3.0639 -2.1947 -2.1946 -2.1218 -2.1208 -1.0425 -1.0404 -0.6499 -0.6486 -0.1476 -0.1443 0.7746 0.7774 1.5078 1.5102 2.5732 2.5740 2.8055 2.8057 8.6426 8.6427 8.8093 8.8112 9.1676 9.1729 9.6593 9.6666 k = 0.0831 0.0802 0.4085 ( 4244 PWs) bands (ev): -25.3501 -25.3501 -20.0617 -20.0617 -18.9878 -18.9878 -15.3805 -15.3802 -9.7043 -9.7027 -9.0353 -9.0240 -8.8004 -8.7774 -8.7526 -8.7524 -8.2037 -8.1924 -6.1922 -6.1922 -3.0722 -3.0714 -2.1989 -2.1988 -2.1302 -2.1292 -1.0473 -1.0450 -0.6464 -0.6449 -0.1484 -0.1447 0.7840 0.7871 1.5026 1.5053 2.5696 2.5705 2.7976 2.7979 8.6696 8.6697 8.8228 8.8250 9.1786 9.1848 9.6234 9.6301 k = 0.0935 0.0902 0.4085 ( 4239 PWs) bands (ev): -25.3500 -25.3500 -20.0582 -20.0581 -18.9894 -18.9894 -15.3887 -15.3884 -9.7012 -9.6992 -9.0345 -9.0231 -8.8000 -8.7758 -8.7534 -8.7533 -8.1970 -8.1849 -6.1836 -6.1836 -3.0807 -3.0798 -2.2035 -2.2034 -2.1398 -2.1386 -1.0524 -1.0499 -0.6425 -0.6408 -0.1490 -0.1450 0.7942 0.7975 1.4969 1.4999 2.5657 2.5667 2.7891 2.7894 8.6997 8.6998 8.8357 8.8382 9.1900 9.1970 9.5939 9.6000 k = 0.1039 0.1002 0.4085 ( 4237 PWs) bands (ev): -25.3499 -25.3499 -20.0543 -20.0542 -18.9913 -18.9913 -15.3977 -15.3974 -9.6976 -9.6953 -9.0335 -9.0223 -8.7991 -8.7744 -8.7543 -8.7541 -8.1896 -8.1769 -6.1742 -6.1741 -3.0901 -3.0892 -2.2087 -2.2086 -2.1504 -2.1492 -1.0578 -1.0550 -0.6381 -0.6363 -0.1494 -0.1451 0.8051 0.8087 1.4906 1.4939 2.5613 2.5624 2.7800 2.7803 8.7327 8.7328 8.8474 8.8501 9.2010 9.2088 9.5726 9.5781 k = 0.1143 0.1102 0.4085 ( 4231 PWs) bands (ev): -25.3498 -25.3498 -20.0500 -20.0499 -18.9933 -18.9932 -15.4076 -15.4072 -9.6937 -9.6911 -9.0323 -9.0217 -8.7979 -8.7732 -8.7552 -8.7549 -8.1814 -8.1683 -6.1638 -6.1638 -3.1004 -3.0995 -2.2143 -2.2142 -2.1620 -2.1607 -1.0632 -1.0602 -0.6332 -0.6312 -0.1497 -0.1451 0.8165 0.8203 1.4837 1.4873 2.5567 2.5579 2.7705 2.7708 8.7684 8.7685 8.8570 8.8598 9.2111 9.2192 9.5609 9.5660 k = 0.1247 0.1203 0.4085 ( 4235 PWs) bands (ev): -25.3496 -25.3496 -20.0454 -20.0453 -18.9954 -18.9954 -15.4182 -15.4177 -9.6894 -9.6864 -9.0309 -9.0213 -8.7964 -8.7723 -8.7561 -8.7557 -8.1727 -8.1593 -6.1527 -6.1526 -3.1117 -3.1107 -2.2204 -2.2203 -2.1746 -2.1733 -1.0686 -1.0654 -0.6279 -0.6258 -0.1497 -0.1450 0.8284 0.8324 1.4762 1.4801 2.5517 2.5530 2.7606 2.7609 8.8065 8.8066 8.8641 8.8667 9.2197 9.2278 9.5602 9.5650 k = 0.1351 0.1303 0.4085 ( 4237 PWs) bands (ev): -25.3495 -25.3495 -20.0405 -20.0404 -18.9977 -18.9977 -15.4295 -15.4290 -9.6847 -9.6813 -9.0294 -9.0210 -8.7946 -8.7717 -8.7570 -8.7562 -8.1634 -8.1499 -6.1407 -6.1407 -3.1238 -3.1228 -2.2269 -2.2268 -2.1881 -2.1869 -1.0738 -1.0705 -0.6222 -0.6200 -0.1496 -0.1447 0.8406 0.8447 1.4683 1.4724 2.5465 2.5478 2.7505 2.7508 8.8458 8.8470 8.8690 8.8704 9.2269 9.2347 9.5706 9.5754 k = 0.1455 0.1403 0.4085 ( 4230 PWs) bands (ev): -25.3494 -25.3494 -20.0352 -20.0351 -19.0001 -19.0001 -15.4414 -15.4409 -9.6796 -9.6759 -9.0278 -9.0209 -8.7926 -8.7714 -8.7578 -8.7565 -8.1536 -8.1401 -6.1280 -6.1279 -3.1368 -3.1357 -2.2339 -2.2339 -2.2026 -2.2013 -1.0787 -1.0753 -0.6161 -0.6137 -0.1493 -0.1442 0.8530 0.8573 1.4599 1.4642 2.5410 2.5424 2.7402 2.7406 8.8661 8.8704 8.8897 8.8917 9.2334 9.2405 9.5914 9.5964 k = 0.1559 0.1503 0.4085 ( 4222 PWs) bands (ev): -25.3492 -25.3492 -20.0297 -20.0296 -19.0027 -19.0026 -15.4539 -15.4534 -9.6741 -9.6700 -9.0260 -9.0210 -8.7904 -8.7715 -8.7586 -8.7566 -8.1434 -8.1301 -6.1146 -6.1145 -3.1506 -3.1495 -2.2414 -2.2413 -2.2177 -2.2166 -1.0833 -1.0798 -0.6096 -0.6071 -0.1489 -0.1437 0.8655 0.8699 1.4510 1.4556 2.5353 2.5368 2.7300 2.7303 8.8646 8.8677 8.9337 8.9347 9.2401 9.2464 9.6213 9.6266 k = 0.1662 0.1604 0.4085 ( 4224 PWs) bands (ev): -25.3491 -25.3491 -20.0239 -20.0238 -19.0053 -19.0053 -15.4670 -15.4665 -9.6683 -9.6637 -9.0243 -9.0213 -8.7882 -8.7720 -8.7592 -8.7564 -8.1328 -8.1197 -6.1005 -6.1005 -3.1651 -3.1641 -2.2496 -2.2493 -2.2334 -2.2325 -1.0875 -1.0838 -0.6028 -0.6001 -0.1483 -0.1430 0.8780 0.8825 1.4417 1.4465 2.5295 2.5310 2.7199 2.7202 8.8597 8.8623 8.9791 8.9799 9.2480 9.2533 9.6586 9.6642 k = 0.1766 0.1704 0.4085 ( 4220 PWs) bands (ev): -25.3489 -25.3489 -20.0179 -20.0177 -19.0081 -19.0081 -15.4806 -15.4801 -9.6620 -9.6570 -9.0225 -9.0216 -8.7860 -8.7728 -8.7596 -8.7560 -8.1219 -8.1092 -6.0859 -6.0858 -3.1805 -3.1794 -2.2592 -2.2582 -2.2486 -2.2485 -1.0911 -1.0873 -0.5956 -0.5928 -0.1476 -0.1422 0.8905 0.8950 1.4320 1.4370 2.5234 2.5250 2.7099 2.7102 8.8528 8.8551 9.0255 9.0263 9.2573 9.2617 9.7019 9.7078 k = 0.1870 0.1804 0.4085 ( 4210 PWs) bands (ev): -25.3487 -25.3487 -20.0116 -20.0114 -19.0109 -19.0109 -15.4946 -15.4941 -9.6553 -9.6498 -9.0221 -9.0207 -8.7841 -8.7738 -8.7598 -8.7555 -8.1108 -8.0984 -6.0707 -6.0706 -3.1965 -3.1955 -2.2725 -2.2707 -2.2619 -2.2612 -1.0940 -1.0902 -0.5880 -0.5851 -0.1469 -0.1414 0.9030 0.9074 1.4220 1.4271 2.5173 2.5189 2.7002 2.7005 8.8449 8.8470 9.0726 9.0733 9.2682 9.2718 9.7498 9.7559 k = 0.1974 0.1904 0.4085 ( 4208 PWs) bands (ev): -25.3485 -25.3485 -20.0051 -20.0049 -19.0139 -19.0138 -15.5090 -15.5085 -9.6483 -9.6423 -9.0228 -9.0190 -8.7824 -8.7749 -8.7595 -8.7549 -8.0994 -8.0876 -6.0550 -6.0549 -3.2133 -3.2122 -2.2893 -2.2875 -2.2719 -2.2711 -1.0963 -1.0924 -0.5802 -0.5772 -0.1461 -0.1407 0.9153 0.9197 1.4117 1.4170 2.5110 2.5127 2.6909 2.6911 8.8367 8.8387 9.1199 9.1207 9.2806 9.2836 9.8012 9.8074 k = 0.2078 0.2004 0.4085 ( 4206 PWs) bands (ev): -25.3484 -25.3484 -19.9984 -19.9983 -19.0168 -19.0168 -15.5237 -15.5232 -9.6408 -9.6344 -9.0235 -9.0173 -8.7813 -8.7761 -8.7589 -8.7543 -8.0880 -8.0766 -6.0389 -6.0388 -3.2306 -3.2296 -2.3074 -2.3058 -2.2810 -2.2803 -1.0978 -1.0938 -0.5721 -0.5690 -0.1454 -0.1400 0.9274 0.9318 1.4011 1.4065 2.5047 2.5064 2.6819 2.6821 8.8289 8.8309 9.1672 9.1680 9.2943 9.2969 9.8551 9.8614 k = 0.2182 0.2105 0.4085 ( 4202 PWs) bands (ev): -25.3482 -25.3482 -19.9916 -19.9915 -19.0199 -19.0199 -15.5387 -15.5381 -9.6329 -9.6261 -9.0243 -9.0158 -8.7806 -8.7774 -8.7579 -8.7538 -8.0764 -8.0656 -6.0225 -6.0224 -3.2486 -3.2476 -2.3262 -2.3247 -2.2901 -2.2895 -1.0985 -1.0945 -0.5637 -0.5606 -0.1448 -0.1394 0.9394 0.9437 1.3903 1.3958 2.4983 2.5000 2.6734 2.6735 8.8222 8.8242 9.2140 9.2149 9.3092 9.3113 9.9107 9.9169 k = 0.2286 0.2205 0.4085 ( 4202 PWs) bands (ev): -25.3480 -25.3480 -19.9847 -19.9846 -19.0230 -19.0229 -15.5538 -15.5532 -9.6247 -9.6174 -9.0251 -9.0144 -8.7804 -8.7787 -8.7566 -8.7534 -8.0648 -8.0546 -6.0058 -6.0057 -3.2670 -3.2661 -2.3454 -2.3440 -2.2993 -2.2987 -1.0984 -1.0944 -0.5552 -0.5520 -0.1443 -0.1389 0.9512 0.9553 1.3793 1.3849 2.4919 2.4936 2.6654 2.6654 8.8169 8.8190 9.2599 9.2609 9.3249 9.3267 9.9671 9.9732 k = 0.2390 0.2305 0.4085 ( 4197 PWs) bands (ev): -25.3478 -25.3478 -19.9777 -19.9775 -19.0261 -19.0260 -15.5691 -15.5685 -9.6161 -9.6084 -9.0261 -9.0132 -8.7806 -8.7800 -8.7551 -8.7530 -8.0532 -8.0436 -5.9888 -5.9887 -3.2860 -3.2850 -2.3649 -2.3636 -2.3085 -2.3079 -1.0974 -1.0934 -0.5464 -0.5432 -0.1439 -0.1387 0.9628 0.9668 1.3682 1.3739 2.4855 2.4872 2.6579 2.6579 8.8133 8.8157 9.3043 9.3056 9.3417 9.3431 10.0236 10.0295 k = 0.2494 0.2405 0.4085 ( 4201 PWs) bands (ev): -25.3477 -25.3477 -19.9706 -19.9705 -19.0292 -19.0292 -15.5844 -15.5838 -9.6071 -9.5989 -9.0270 -9.0122 -8.7813 -8.7810 -8.7536 -8.7529 -8.0418 -8.0327 -5.9717 -5.9716 -3.3053 -3.3044 -2.3844 -2.3833 -2.3178 -2.3173 -1.0957 -1.0917 -0.5375 -0.5342 -0.1438 -0.1386 0.9743 0.9781 1.3570 1.3627 2.4791 2.4808 2.6508 2.6509 8.8117 8.8143 9.3451 9.3474 9.3610 9.3613 10.0793 10.0850 k = 0.2598 0.2506 0.4085 ( 4192 PWs) bands (ev): -25.3475 -25.3475 -19.9635 -19.9633 -19.0323 -19.0323 -15.5996 -15.5990 -9.5977 -9.5892 -9.0280 -9.0113 -8.7826 -8.7817 -8.7528 -8.7521 -8.0304 -8.0219 -5.9545 -5.9544 -3.3249 -3.3241 -2.4040 -2.4029 -2.3271 -2.3266 -1.0931 -1.0891 -0.5285 -0.5252 -0.1440 -0.1389 0.9856 0.9891 1.3457 1.3515 2.4727 2.4744 2.6443 2.6445 8.8121 8.8149 9.3715 9.3743 9.3931 9.3933 10.1334 10.1390 k = 0.2702 0.2606 0.4085 ( 4198 PWs) bands (ev): -25.3473 -25.3473 -19.9564 -19.9562 -19.0354 -19.0354 -15.6149 -15.6143 -9.5880 -9.5791 -9.0291 -9.0107 -8.7838 -8.7826 -8.7529 -8.7508 -8.0192 -8.0113 -5.9373 -5.9372 -3.3449 -3.3441 -2.4234 -2.4225 -2.3365 -2.3359 -1.0897 -1.0857 -0.5194 -0.5161 -0.1444 -0.1395 0.9967 1.0000 1.3344 1.3402 2.4664 2.4681 2.6383 2.6386 8.8146 8.8177 9.3899 9.3924 9.4317 9.4319 10.1852 10.1905 k = 0.2805 0.2706 0.4085 ( 4200 PWs) bands (ev): -25.3471 -25.3471 -19.9493 -19.9491 -19.0384 -19.0384 -15.6299 -15.6294 -9.5779 -9.5687 -9.0302 -9.0103 -8.7851 -8.7835 -8.7532 -8.7498 -8.0082 -8.0009 -5.9202 -5.9201 -3.3650 -3.3643 -2.4427 -2.4418 -2.3457 -2.3452 -1.0855 -1.0816 -0.5103 -0.5069 -0.1452 -0.1403 1.0077 1.0108 1.3232 1.3290 2.4602 2.4619 2.6329 2.6333 8.8191 8.8225 9.4075 9.4100 9.4687 9.4691 10.2336 10.2386 k = 0.2909 0.2806 0.4085 ( 4200 PWs) bands (ev): -25.3469 -25.3469 -19.9423 -19.9421 -19.0415 -19.0415 -15.6448 -15.6442 -9.5676 -9.5580 -9.0312 -9.0101 -8.7862 -8.7845 -8.7538 -8.7491 -7.9974 -7.9906 -5.9032 -5.9031 -3.3852 -3.3845 -2.4616 -2.4609 -2.3549 -2.3544 -1.0806 -1.0767 -0.5012 -0.4978 -0.1462 -0.1416 1.0186 1.0214 1.3121 1.3178 2.4541 2.4557 2.6280 2.6285 8.8255 8.8291 9.4249 9.4275 9.5036 9.5040 10.2777 10.2825 k = 0.3013 0.2907 0.4085 ( 4204 PWs) bands (ev): -25.3468 -25.3468 -19.9353 -19.9352 -19.0444 -19.0444 -15.6594 -15.6589 -9.5569 -9.5471 -9.0323 -9.0102 -8.7874 -8.7855 -8.7545 -8.7487 -7.9870 -7.9807 -5.8865 -5.8863 -3.4055 -3.4048 -2.4802 -2.4795 -2.3640 -2.3635 -1.0749 -1.0711 -0.4921 -0.4888 -0.1477 -0.1432 1.0294 1.0319 1.3011 1.3068 2.4481 2.4497 2.6236 2.6242 8.8336 8.8376 9.4422 9.4449 9.5359 9.5364 10.3166 10.3212 k = 0.3117 0.3007 0.4085 ( 4206 PWs) bands (ev): -25.3466 -25.3466 -19.9285 -19.9283 -19.0473 -19.0473 -15.6737 -15.6731 -9.5461 -9.5359 -9.0335 -9.0105 -8.7885 -8.7866 -8.7554 -8.7488 -7.9769 -7.9711 -5.8700 -5.8699 -3.4256 -3.4251 -2.4983 -2.4977 -2.3728 -2.3723 -1.0686 -1.0648 -0.4831 -0.4798 -0.1495 -0.1451 1.0401 1.0423 1.2902 1.2958 2.4423 2.4438 2.6197 2.6205 8.8433 8.8475 9.4593 9.4621 9.5658 9.5662 10.3495 10.3538 k = 0.3221 0.3107 0.4085 ( 4196 PWs) bands (ev): -25.3464 -25.3464 -19.9218 -19.9217 -19.0501 -19.0501 -15.6876 -15.6870 -9.5349 -9.5246 -9.0346 -9.0110 -8.7895 -8.7876 -8.7565 -8.7491 -7.9673 -7.9618 -5.8538 -5.8537 -3.4457 -3.4451 -2.5158 -2.5153 -2.3815 -2.3810 -1.0617 -1.0580 -0.4743 -0.4710 -0.1516 -0.1475 1.0508 1.0526 1.2796 1.2852 2.4366 2.4380 2.6163 2.6172 8.8543 8.8588 9.4762 9.4792 9.5931 9.5935 10.3758 10.3798 k = 0.3325 0.3207 0.4085 ( 4196 PWs) bands (ev): -25.3463 -25.3463 -19.9153 -19.9152 -19.0529 -19.0528 -15.7010 -15.7005 -9.5237 -9.5131 -9.0357 -9.0118 -8.7905 -8.7887 -8.7579 -8.7499 -7.9580 -7.9530 -5.8381 -5.8380 -3.4654 -3.4650 -2.5326 -2.5323 -2.3899 -2.3894 -1.0543 -1.0506 -0.4656 -0.4624 -0.1542 -0.1502 1.0614 1.0628 1.2693 1.2747 2.4311 2.4325 2.6133 2.6143 8.8664 8.8711 9.4929 9.4960 9.6178 9.6182 10.3949 10.3988 k = 0.3429 0.3307 0.4085 ( 4193 PWs) bands (ev): -25.3461 -25.3461 -19.9090 -19.9089 -19.0555 -19.0555 -15.7140 -15.7135 -9.5122 -9.5015 -9.0369 -9.0128 -8.7915 -8.7897 -8.7594 -8.7511 -7.9492 -7.9445 -5.8229 -5.8228 -3.4849 -3.4844 -2.5488 -2.5486 -2.3980 -2.3976 -1.0463 -1.0428 -0.4571 -0.4539 -0.1570 -0.1533 1.0719 1.0730 1.2592 1.2645 2.4258 2.4271 2.6107 2.6119 8.8792 8.8841 9.5091 9.5124 9.6400 9.6405 10.4071 10.4108 k = 0.3533 0.3408 0.4085 ( 4199 PWs) bands (ev): -25.3460 -25.3460 -19.9030 -19.9029 -19.0580 -19.0580 -15.7264 -15.7259 -9.5007 -9.4899 -9.0380 -9.0140 -8.7924 -8.7908 -8.7610 -8.7526 -7.9410 -7.9366 -5.8084 -5.8083 -3.5039 -3.5035 -2.5642 -2.5641 -2.4058 -2.4054 -1.0380 -1.0345 -0.4489 -0.4458 -0.1602 -0.1567 1.0824 1.0831 1.2495 1.2546 2.4207 2.4220 2.6085 2.6098 8.8925 8.8975 9.5249 9.5283 9.6599 9.6604 10.4127 10.4162 k = 0.3637 0.3508 0.4085 ( 4203 PWs) bands (ev): -25.3458 -25.3458 -19.8972 -19.8971 -19.0604 -19.0604 -15.7381 -15.7377 -9.4892 -9.4784 -9.0392 -9.0155 -8.7934 -8.7918 -8.7628 -8.7544 -7.9333 -7.9293 -5.7944 -5.7943 -3.5225 -3.5221 -2.5788 -2.5787 -2.4133 -2.4128 -1.0293 -1.0259 -0.4409 -0.4380 -0.1637 -0.1605 1.0928 1.0931 1.2402 1.2451 2.4159 2.4171 2.6067 2.6081 8.9060 8.9111 9.5400 9.5435 9.6775 9.6780 10.4124 10.4157 k = 0.3741 0.3608 0.4085 ( 4203 PWs) bands (ev): -25.3457 -25.3457 -19.8918 -19.8917 -19.0627 -19.0626 -15.7492 -15.7488 -9.4777 -9.4669 -9.0404 -9.0172 -8.7943 -8.7928 -8.7646 -8.7564 -7.9261 -7.9224 -5.7812 -5.7811 -3.5404 -3.5400 -2.5925 -2.5925 -2.4203 -2.4199 -1.0203 -1.0170 -0.4333 -0.4305 -0.1675 -0.1645 1.1031 1.1031 1.2313 1.2360 2.4113 2.4124 2.6052 2.6066 8.9193 8.9245 9.5542 9.5578 9.6930 9.6934 10.4071 10.4102 k = 0.3845 0.3708 0.4085 ( 4207 PWs) bands (ev): -25.3456 -25.3456 -19.8866 -19.8865 -19.0648 -19.0648 -15.7597 -15.7593 -9.4663 -9.4556 -9.0415 -9.0191 -8.7952 -8.7938 -8.7665 -8.7587 -7.9196 -7.9162 -5.7688 -5.7687 -3.5577 -3.5574 -2.6054 -2.6053 -2.4269 -2.4265 -1.0111 -1.0079 -0.4261 -0.4234 -0.1716 -0.1688 1.1130 1.1133 1.2228 1.2274 2.4070 2.4080 2.6039 2.6055 8.9323 8.9374 9.5673 9.5709 9.7065 9.7069 10.3980 10.4009 k = 0.3948 0.3809 0.4085 ( 4212 PWs) bands (ev): -25.3455 -25.3455 -19.8819 -19.8817 -19.0668 -19.0668 -15.7693 -15.7690 -9.4551 -9.4445 -9.0427 -9.0211 -8.7961 -8.7948 -8.7684 -8.7611 -7.9138 -7.9106 -5.7572 -5.7571 -3.5743 -3.5739 -2.6172 -2.6171 -2.4330 -2.4326 -1.0017 -0.9986 -0.4193 -0.4168 -0.1758 -0.1733 1.1227 1.1234 1.2149 1.2192 2.4030 2.4040 2.6029 2.6045 8.9447 8.9498 9.5790 9.5825 9.7182 9.7186 10.3859 10.3887 k = 0.4052 0.3909 0.4085 ( 4202 PWs) bands (ev): -25.3454 -25.3454 -19.8774 -19.8773 -19.0685 -19.0685 -15.7782 -15.7779 -9.4441 -9.4338 -9.0437 -9.0234 -8.7970 -8.7957 -8.7701 -8.7636 -7.9086 -7.9057 -5.7464 -5.7463 -3.5901 -3.5897 -2.6281 -2.6279 -2.4385 -2.4382 -0.9923 -0.9893 -0.4129 -0.4106 -0.1802 -0.1780 1.1323 1.1334 1.2075 1.2116 2.3993 2.4002 2.6021 2.6038 8.9562 8.9612 9.5889 9.5923 9.7282 9.7286 10.3719 10.3745 k = 0.4156 0.4009 0.4085 ( 4204 PWs) bands (ev): -25.3453 -25.3453 -19.8734 -19.8733 -19.0702 -19.0702 -15.7862 -15.7859 -9.4335 -9.4235 -9.0448 -9.0258 -8.7979 -8.7967 -8.7718 -8.7661 -7.9041 -7.9014 -5.7367 -5.7366 -3.6050 -3.6046 -2.6379 -2.6376 -2.4436 -2.4433 -0.9829 -0.9800 -0.4071 -0.4049 -0.1847 -0.1828 1.1417 1.1431 1.2007 1.2045 2.3959 2.3968 2.6015 2.6032 8.9668 8.9716 9.5967 9.6000 9.7366 9.7370 10.3566 10.3592 k = 0.4260 0.4109 0.4085 ( 4208 PWs) bands (ev): -25.3452 -25.3452 -19.8698 -19.8697 -19.0717 -19.0717 -15.7934 -15.7931 -9.4232 -9.4137 -9.0457 -9.0284 -8.7988 -8.7977 -8.7733 -8.7686 -7.9004 -7.8979 -5.7279 -5.7279 -3.6190 -3.6186 -2.6466 -2.6462 -2.4481 -2.4478 -0.9735 -0.9708 -0.4018 -0.3998 -0.1892 -0.1876 1.1508 1.1526 1.1945 1.1982 2.3928 2.3937 2.6010 2.6027 8.9762 8.9808 9.6022 9.6053 9.7436 9.7440 10.3409 10.3433 k = 0.4364 0.4209 0.4085 ( 4198 PWs) bands (ev): -25.3451 -25.3451 -19.8667 -19.8666 -19.0729 -19.0729 -15.7997 -15.7994 -9.4135 -9.4045 -9.0466 -9.0311 -8.7997 -8.7988 -8.7746 -8.7709 -7.8973 -7.8951 -5.7202 -5.7202 -3.6320 -3.6316 -2.6541 -2.6538 -2.4520 -2.4518 -0.9643 -0.9617 -0.3970 -0.3953 -0.1937 -0.1924 1.1594 1.1616 1.1893 1.1927 2.3902 2.3909 2.6006 2.6023 8.9844 8.9887 9.6051 9.6080 9.7493 9.7497 10.3249 10.3273 k = 0.4468 0.4310 0.4085 ( 4198 PWs) bands (ev): -25.3450 -25.3450 -19.8640 -19.8639 -19.0740 -19.0740 -15.8050 -15.8048 -9.4044 -9.3961 -9.0473 -9.0338 -8.8006 -8.7998 -8.7756 -8.7731 -7.8950 -7.8930 -5.7136 -5.7136 -3.6440 -3.6436 -2.6606 -2.6601 -2.4553 -2.4551 -0.9553 -0.9529 -0.3928 -0.3913 -0.1981 -0.1971 1.1671 1.1696 1.1854 1.1885 2.3878 2.3885 2.6003 2.6020 8.9912 8.9953 9.6054 9.6080 9.7539 9.7543 10.3089 10.3113 k = 0.4468 0.4310 0.4085 ( 4198 PWs) bands (ev): -25.3450 -25.3450 -19.8640 -19.8639 -19.0740 -19.0740 -15.8050 -15.8048 -9.4044 -9.3961 -9.0473 -9.0338 -8.8006 -8.7998 -8.7756 -8.7731 -7.8950 -7.8930 -5.7136 -5.7136 -3.6440 -3.6436 -2.6606 -2.6601 -2.4553 -2.4551 -0.9553 -0.9529 -0.3928 -0.3913 -0.1981 -0.1971 1.1671 1.1696 1.1854 1.1885 2.3878 2.3885 2.6003 2.6020 8.9912 8.9953 9.6054 9.6080 9.7539 9.7543 10.3089 10.3113 k = 0.4521 0.4361 0.3995 ( 4196 PWs) bands (ev): -25.3450 -25.3450 -19.8627 -19.8627 -19.0745 -19.0745 -15.8074 -15.8072 -9.3984 -9.3906 -9.0477 -9.0361 -8.8010 -8.8004 -8.7766 -8.7752 -7.8986 -7.8966 -5.7106 -5.7106 -3.6388 -3.6383 -2.6596 -2.6591 -2.4577 -2.4576 -0.9540 -0.9517 -0.3907 -0.3893 -0.2055 -0.2047 1.1633 1.1659 1.1849 1.1879 2.3897 2.3904 2.6048 2.6065 8.9865 8.9904 9.6003 9.6028 9.7288 9.7292 10.3166 10.3190 k = 0.4575 0.4413 0.3906 ( 4193 PWs) bands (ev): -25.3450 -25.3450 -19.8616 -19.8616 -19.0749 -19.0749 -15.8094 -15.8093 -9.3925 -9.3852 -9.0482 -9.0383 -8.8013 -8.8011 -8.7776 -8.7772 -7.9025 -7.9006 -5.7080 -5.7079 -3.6333 -3.6328 -2.6581 -2.6577 -2.4600 -2.4598 -0.9526 -0.9504 -0.3888 -0.3875 -0.2129 -0.2123 1.1593 1.1620 1.1848 1.1875 2.3917 2.3924 2.6094 2.6110 8.9808 8.9847 9.5949 9.5974 9.7036 9.7038 10.3231 10.3255 k = 0.4628 0.4464 0.3816 ( 4199 PWs) bands (ev): -25.3450 -25.3450 -19.8607 -19.8606 -19.0753 -19.0753 -15.8112 -15.8111 -9.3867 -9.3799 -9.0487 -9.0406 -8.8018 -8.8018 -8.7790 -8.7785 -7.9068 -7.9049 -5.7056 -5.7056 -3.6277 -3.6271 -2.6563 -2.6558 -2.4621 -2.4619 -0.9513 -0.9491 -0.3870 -0.3858 -0.2203 -0.2199 1.1551 1.1578 1.1850 1.1874 2.3938 2.3945 2.6139 2.6155 8.9743 8.9781 9.5895 9.5920 9.6783 9.6784 10.3285 10.3309 k = 0.5532-0.4670 0.1675 ( 4198 PWs) bands (ev): -25.3450 -25.3450 -19.8640 -19.8639 -19.0740 -19.0740 -15.8050 -15.8048 -9.4044 -9.3961 -9.0473 -9.0338 -8.8006 -8.7998 -8.7756 -8.7731 -7.8950 -7.8930 -5.7136 -5.7136 -3.6440 -3.6436 -2.6606 -2.6601 -2.4553 -2.4551 -0.9553 -0.9529 -0.3928 -0.3913 -0.1981 -0.1971 1.1671 1.1696 1.1854 1.1885 2.3878 2.3885 2.6003 2.6020 8.9912 8.9953 9.6054 9.6080 9.7539 9.7543 10.3089 10.3113 k = 0.5500-0.4702 0.1546 ( 4200 PWs) bands (ev): -25.3450 -25.3450 -19.8632 -19.8632 -19.0744 -19.0744 -15.8066 -15.8064 -9.4038 -9.3955 -9.0473 -9.0335 -8.8010 -8.8001 -8.7750 -8.7721 -7.8883 -7.8864 -5.7118 -5.7118 -3.6634 -3.6630 -2.6676 -2.6672 -2.4548 -2.4546 -0.9478 -0.9455 -0.3919 -0.3905 -0.1921 -0.1912 1.1750 1.1753 1.1902 1.1909 2.3830 2.3837 2.5936 2.5953 9.0040 9.0078 9.6119 9.6142 9.7938 9.7943 10.2790 10.2813 k = 0.5468-0.4733 0.1417 ( 4204 PWs) bands (ev): -25.3450 -25.3450 -19.8626 -19.8625 -19.0747 -19.0747 -15.8081 -15.8079 -9.4030 -9.3949 -9.0473 -9.0334 -8.8014 -8.8003 -8.7745 -8.7712 -7.8819 -7.8802 -5.7101 -5.7101 -3.6822 -3.6818 -2.6742 -2.6738 -2.4544 -2.4542 -0.9405 -0.9382 -0.3910 -0.3897 -0.1866 -0.1857 1.1721 1.1734 1.2029 1.2038 2.3785 2.3791 2.5871 2.5888 9.0168 9.0204 9.6187 9.6208 9.8332 9.8337 10.2470 10.2491 k = 0.5435-0.4764 0.1288 ( 4210 PWs) bands (ev): -25.3450 -25.3450 -19.8619 -19.8619 -19.0750 -19.0750 -15.8095 -15.8093 -9.4021 -9.3943 -9.0473 -9.0334 -8.8018 -8.8006 -8.7740 -8.7705 -7.8758 -7.8742 -5.7085 -5.7085 -3.7002 -3.6999 -2.6804 -2.6800 -2.4539 -2.4537 -0.9333 -0.9312 -0.3902 -0.3889 -0.1815 -0.1807 1.1679 1.1694 1.2167 1.2180 2.3743 2.3748 2.5811 2.5827 9.0294 9.0328 9.6261 9.6280 9.8715 9.8721 10.2133 10.2152 k = 0.5403-0.4795 0.1158 ( 4211 PWs) bands (ev): -25.3450 -25.3450 -19.8614 -19.8613 -19.0752 -19.0752 -15.8107 -15.8106 -9.4011 -9.3936 -9.0472 -9.0335 -8.8022 -8.8009 -8.7734 -8.7698 -7.8701 -7.8687 -5.7071 -5.7070 -3.7173 -3.7170 -2.6861 -2.6857 -2.4534 -2.4532 -0.9265 -0.9245 -0.3894 -0.3882 -0.1769 -0.1761 1.1638 1.1653 1.2304 1.2319 2.3703 2.3709 2.5754 2.5770 9.0419 9.0450 9.6344 9.6361 9.9083 9.9089 10.1784 10.1801 k = 0.5371-0.4826 0.1029 ( 4207 PWs) bands (ev): -25.3450 -25.3450 -19.8608 -19.8608 -19.0755 -19.0755 -15.8119 -15.8118 -9.4000 -9.3928 -9.0470 -9.0337 -8.8026 -8.8012 -8.7729 -8.7693 -7.8648 -7.8635 -5.7057 -5.7057 -3.7332 -3.7329 -2.6913 -2.6910 -2.4529 -2.4528 -0.9201 -0.9182 -0.3887 -0.3876 -0.1728 -0.1720 1.1598 1.1613 1.2435 1.2449 2.3667 2.3672 2.5702 2.5718 9.0538 9.0567 9.6437 9.6452 9.9431 9.9436 10.1427 10.1442 k = 0.5338-0.4857 0.0900 ( 4216 PWs) bands (ev): -25.3450 -25.3450 -19.8604 -19.8603 -19.0757 -19.0757 -15.8130 -15.8129 -9.3988 -9.3921 -9.0468 -9.0341 -8.8030 -8.8015 -8.7725 -8.7688 -7.8600 -7.8589 -5.7045 -5.7044 -3.7478 -3.7476 -2.6960 -2.6957 -2.4525 -2.4524 -0.9141 -0.9123 -0.3880 -0.3870 -0.1693 -0.1685 1.1562 1.1576 1.2556 1.2569 2.3635 2.3639 2.5656 2.5670 9.0652 9.0677 9.6540 9.6555 9.9754 9.9759 10.1070 10.1082 k = 0.5306-0.4888 0.0770 ( 4220 PWs) bands (ev): -25.3450 -25.3450 -19.8599 -19.8599 -19.0759 -19.0759 -15.8140 -15.8139 -9.3976 -9.3914 -9.0466 -9.0346 -8.8033 -8.8018 -8.7721 -8.7685 -7.8557 -7.8548 -5.7033 -5.7033 -3.7608 -3.7607 -2.7001 -2.6999 -2.4522 -2.4520 -0.9086 -0.9071 -0.3874 -0.3865 -0.1662 -0.1655 1.1529 1.1542 1.2666 1.2678 2.3606 2.3610 2.5615 2.5627 9.0757 9.0779 9.6655 9.6668 10.0046 10.0050 10.0717 10.0728 k = 0.5274-0.4919 0.0641 ( 4215 PWs) bands (ev): -25.3450 -25.3450 -19.8595 -19.8595 -19.0761 -19.0761 -15.8149 -15.8148 -9.3963 -9.3907 -9.0462 -9.0352 -8.8035 -8.8021 -8.7717 -8.7683 -7.8520 -7.8512 -5.7023 -5.7023 -3.7723 -3.7722 -2.7037 -2.7035 -2.4519 -2.4518 -0.9037 -0.9024 -0.3868 -0.3860 -0.1637 -0.1631 1.1500 1.1511 1.2763 1.2774 2.3582 2.3585 2.5579 2.5591 9.0852 9.0871 9.6780 9.6792 10.0289 10.0295 10.0385 10.0403 k = 0.5242-0.4951 0.0512 ( 4212 PWs) bands (ev): -25.3450 -25.3450 -19.8591 -19.8591 -19.0763 -19.0763 -15.8156 -15.8156 -9.3950 -9.3901 -9.0459 -9.0359 -8.8038 -8.8023 -8.7714 -8.7682 -7.8489 -7.8482 -5.7014 -5.7014 -3.7820 -3.7820 -2.7067 -2.7066 -2.4517 -2.4516 -0.8995 -0.8983 -0.3863 -0.3856 -0.1618 -0.1612 1.1475 1.1485 1.2847 1.2855 2.3561 2.3564 2.5551 2.5560 9.0934 9.0950 9.6910 9.6921 10.0051 10.0055 10.0526 10.0532 k = 0.5209-0.4982 0.0383 ( 4212 PWs) bands (ev): -25.3450 -25.3450 -19.8588 -19.8588 -19.0764 -19.0764 -15.8163 -15.8162 -9.3937 -9.3895 -9.0454 -9.0366 -8.8039 -8.8026 -8.7711 -8.7681 -7.8464 -7.8459 -5.7006 -5.7005 -3.7899 -3.7899 -2.7091 -2.7090 -2.4515 -2.4514 -0.8959 -0.8949 -0.3859 -0.3853 -0.1604 -0.1598 1.1455 1.1464 1.2915 1.2921 2.3545 2.3547 2.5528 2.5536 9.1002 9.1015 9.7040 9.7049 9.9763 9.9766 10.0700 10.0704 k = 0.5177-0.5013 0.0253 ( 4213 PWs) bands (ev): -25.3449 -25.3449 -19.8585 -19.8585 -19.0765 -19.0765 -15.8169 -15.8168 -9.3924 -9.3890 -9.0450 -9.0375 -8.8041 -8.8029 -8.7709 -8.7682 -7.8446 -7.8442 -5.6999 -5.6999 -3.7959 -3.7959 -2.7110 -2.7109 -2.4515 -2.4514 -0.8930 -0.8923 -0.3854 -0.3849 -0.1596 -0.1590 1.1440 1.1447 1.2968 1.2972 2.3533 2.3535 2.5512 2.5518 9.1055 9.1065 9.7156 9.7163 9.9523 9.9523 10.0828 10.0830 k = 0.5145-0.5044 0.0124 ( 4219 PWs) bands (ev): -25.3449 -25.3449 -19.8583 -19.8583 -19.0767 -19.0767 -15.8174 -15.8173 -9.3911 -9.3885 -9.0445 -9.0383 -8.8042 -8.8031 -8.7708 -8.7684 -7.8435 -7.8432 -5.6993 -5.6993 -3.7999 -3.7999 -2.7122 -2.7122 -2.4515 -2.4515 -0.8909 -0.8903 -0.3851 -0.3847 -0.1593 -0.1588 1.1429 1.1435 1.3004 1.3006 2.3526 2.3527 2.5503 2.5507 9.1092 9.1098 9.7239 9.7245 9.9351 9.9351 10.0905 10.0907 k = 0.5113-0.5075-0.0005 ( 4223 PWs) bands (ev): -25.3449 -25.3449 -19.8581 -19.8581 -19.0767 -19.0767 -15.8178 -15.8177 -9.3899 -9.3881 -9.0439 -9.0392 -8.8042 -8.8033 -8.7707 -8.7687 -7.8430 -7.8429 -5.6989 -5.6989 -3.8019 -3.8019 -2.7129 -2.7128 -2.4517 -2.4516 -0.8895 -0.8892 -0.3847 -0.3844 -0.1596 -0.1592 1.1424 1.1428 1.3022 1.3024 2.3523 2.3523 2.5501 2.5503 9.1111 9.1113 9.7268 9.7272 9.9272 9.9273 10.0931 10.0931 k = 0.5080-0.5106-0.0134 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0768 -19.0768 -15.8180 -15.8180 -9.3887 -9.3878 -9.0434 -9.0401 -8.8042 -8.8034 -8.7707 -8.7690 -7.8433 -7.8432 -5.6985 -5.6985 -3.8019 -3.8018 -2.7130 -2.7129 -2.4519 -2.4519 -0.8889 -0.8888 -0.3844 -0.3843 -0.1604 -0.1601 1.1423 1.1426 1.3022 1.3026 2.3524 2.3524 2.5505 2.5505 9.1111 9.1111 9.7231 9.7233 9.9299 9.9302 10.0904 10.0905 k = 0.5080-0.5106-0.0134 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8580 -19.0768 -19.0768 -15.8180 -15.8180 -9.3887 -9.3878 -9.0434 -9.0401 -8.8042 -8.8034 -8.7707 -8.7690 -7.8433 -7.8432 -5.6985 -5.6985 -3.8019 -3.8018 -2.7130 -2.7129 -2.4519 -2.4519 -0.8889 -0.8888 -0.3844 -0.3843 -0.1604 -0.1601 1.1423 1.1426 1.3022 1.3026 2.3524 2.3524 2.5505 2.5505 9.1111 9.1111 9.7231 9.7233 9.9299 9.9302 10.0904 10.0905 k = 0.5040-0.5145-0.0067 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8579 -19.8578 -19.0768 -19.0768 -15.8182 -15.8182 -9.3885 -9.3880 -9.0426 -9.0409 -8.8041 -8.8037 -8.7703 -8.7694 -7.8427 -7.8427 -5.6983 -5.6983 -3.8024 -3.8023 -2.7135 -2.7135 -2.4520 -2.4520 -0.8889 -0.8888 -0.3843 -0.3842 -0.1601 -0.1599 1.1422 1.1423 1.3025 1.3027 2.3522 2.3522 2.5503 2.5504 9.1123 9.1123 9.7259 9.7260 9.9284 9.9285 10.0929 10.0929 k = 0.5000-0.5184 0.0000 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0769 -19.0769 -15.8183 -15.8183 -9.3883 -9.3883 -9.0418 -9.0418 -8.8039 -8.8039 -8.7699 -8.7699 -7.8425 -7.8425 -5.6982 -5.6982 -3.8025 -3.8025 -2.7137 -2.7137 -2.4521 -2.4521 -0.8889 -0.8889 -0.3842 -0.3842 -0.1599 -0.1599 1.1421 1.1421 1.3027 1.3027 2.3521 2.3521 2.5503 2.5503 9.1127 9.1127 9.7268 9.7268 9.9279 9.9279 10.0937 10.0937 k = 0.5000-0.5184 0.0000 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8578 -19.8578 -19.0769 -19.0769 -15.8183 -15.8183 -9.3883 -9.3883 -9.0418 -9.0418 -8.8039 -8.8039 -8.7699 -8.7699 -7.8425 -7.8425 -5.6982 -5.6982 -3.8025 -3.8025 -2.7137 -2.7137 -2.4521 -2.4521 -0.8889 -0.8889 -0.3842 -0.3842 -0.1599 -0.1599 1.1421 1.1421 1.3027 1.3027 2.3521 2.3521 2.5503 2.5503 9.1127 9.1127 9.7268 9.7268 9.9279 9.9279 10.0937 10.0937 k = 0.4900-0.5080 0.0000 ( 4220 PWs) bands (ev): -25.3449 -25.3449 -19.8580 -19.8579 -19.0769 -19.0769 -15.8178 -15.8178 -9.3895 -9.3875 -9.0447 -9.0388 -8.8046 -8.8033 -8.7726 -8.7670 -7.8430 -7.8425 -5.6991 -5.6989 -3.8020 -3.8018 -2.7142 -2.7136 -2.4513 -2.4506 -0.8888 -0.8886 -0.3854 -0.3848 -0.1595 -0.1590 1.1422 1.1426 1.3022 1.3030 2.3507 2.3527 2.5496 2.5514 9.1123 9.1124 9.7278 9.7285 9.9175 9.9193 10.0999 10.1013 k = 0.4800-0.4976 0.0000 ( 4225 PWs) bands (ev): -25.3450 -25.3450 -19.8584 -19.8583 -19.0771 -19.0771 -15.8162 -15.8161 -9.3912 -9.3873 -9.0476 -9.0359 -8.8052 -8.8027 -8.7752 -8.7642 -7.8441 -7.8432 -5.7017 -5.7012 -3.8004 -3.8001 -2.7150 -2.7138 -2.4483 -2.4471 -0.8882 -0.8878 -0.3884 -0.3871 -0.1577 -0.1567 1.1428 1.1437 1.3015 1.3031 2.3484 2.3525 2.5493 2.5529 9.1111 9.1114 9.7313 9.7328 9.8925 9.8955 10.1163 10.1184 k = 0.4700-0.4873 0.0000 ( 4225 PWs) bands (ev): -25.3450 -25.3450 -19.8590 -19.8590 -19.0775 -19.0773 -15.8136 -15.8134 -9.3934 -9.3876 -9.0504 -9.0331 -8.8059 -8.8024 -8.7777 -8.7614 -7.8458 -7.8444 -5.7059 -5.7052 -3.7977 -3.7972 -2.7162 -2.7144 -2.4433 -2.4415 -0.8872 -0.8867 -0.3928 -0.3910 -0.1547 -0.1532 1.1439 1.1452 1.3006 1.3031 2.3455 2.3514 2.5494 2.5548 9.1093 9.1096 9.7370 9.7396 9.8593 9.8633 10.1365 10.1389 k = 0.4600-0.4769 0.0000 ( 4221 PWs) bands (ev): -25.3450 -25.3450 -19.8600 -19.8599 -19.0779 -19.0777 -15.8099 -15.8096 -9.3960 -9.3884 -9.0530 -9.0305 -8.8066 -8.8022 -8.7798 -8.7588 -7.8481 -7.8463 -5.7117 -5.7108 -3.7940 -3.7933 -2.7174 -2.7151 -2.4364 -2.4340 -0.8858 -0.8851 -0.3987 -0.3963 -0.1506 -0.1488 1.1456 1.1474 1.2996 1.3029 2.3419 2.3495 2.5499 2.5569 9.1064 9.1069 9.7440 9.7484 9.8222 9.8276 10.1565 10.1588 k = 0.4500-0.4665 0.0000 ( 4219 PWs) bands (ev): -25.3451 -25.3451 -19.8612 -19.8611 -19.0783 -19.0781 -15.8052 -15.8049 -9.3990 -9.3899 -9.0554 -9.0280 -8.8071 -8.8023 -8.7815 -8.7563 -7.8510 -7.8486 -5.7189 -5.7178 -3.7893 -3.7884 -2.7187 -2.7159 -2.4277 -2.4248 -0.8840 -0.8832 -0.4056 -0.4028 -0.1457 -0.1436 1.1479 1.1501 1.2984 1.3026 2.3377 2.3470 2.5508 2.5592 9.1025 9.1030 9.7479 9.7560 9.7865 9.7950 10.1744 10.1765 k = 0.4400-0.4562 0.0000 ( 4219 PWs) bands (ev): -25.3451 -25.3451 -19.8627 -19.8626 -19.0789 -19.0786 -15.7994 -15.7991 -9.4024 -9.3919 -9.0577 -9.0258 -8.8077 -8.8027 -8.7828 -8.7540 -7.8544 -7.8516 -5.7276 -5.7263 -3.7837 -3.7827 -2.7197 -2.7164 -2.4175 -2.4142 -0.8819 -0.8809 -0.4133 -0.4101 -0.1402 -0.1378 1.1507 1.1534 1.2970 1.3021 2.3331 2.3438 2.5520 2.5617 9.0972 9.0978 9.7302 9.7352 9.7803 9.7848 10.1894 10.1911 k = 0.4300-0.4458 0.0000 ( 4219 PWs) bands (ev): -25.3452 -25.3452 -19.8645 -19.8644 -19.0795 -19.0792 -15.7927 -15.7923 -9.4061 -9.3945 -9.0596 -9.0238 -8.8081 -8.8034 -8.7837 -8.7519 -7.8584 -7.8551 -5.7376 -5.7361 -3.7773 -3.7761 -2.7203 -2.7167 -2.4061 -2.4023 -0.8795 -0.8783 -0.4216 -0.4180 -0.1343 -0.1317 1.1540 1.1573 1.2954 1.3015 2.3281 2.3401 2.5536 2.5644 9.0904 9.0910 9.6944 9.6967 9.7937 9.7944 10.2015 10.2027 k = 0.4200-0.4354 0.0000 ( 4215 PWs) bands (ev): -25.3453 -25.3453 -19.8666 -19.8665 -19.0800 -19.0797 -15.7851 -15.7847 -9.4103 -9.3976 -9.0613 -9.0222 -8.8086 -8.8043 -8.7841 -8.7500 -7.8628 -7.8590 -5.7488 -5.7471 -3.7702 -3.7689 -2.7205 -2.7165 -2.3935 -2.3894 -0.8768 -0.8756 -0.4303 -0.4263 -0.1281 -0.1254 1.1578 1.1617 1.2937 1.3008 2.3229 2.3360 2.5553 2.5671 9.0817 9.0823 9.6557 9.6573 9.8084 9.8096 10.2110 10.2117 k = 0.4100-0.4251 0.0000 ( 4215 PWs) bands (ev): -25.3454 -25.3454 -19.8690 -19.8689 -19.0806 -19.0802 -15.7766 -15.7761 -9.4147 -9.4014 -9.0627 -9.0208 -8.8089 -8.8053 -8.7843 -8.7485 -7.8678 -7.8635 -5.7610 -5.7592 -3.7625 -3.7611 -2.7200 -2.7157 -2.3801 -2.3757 -0.8740 -0.8726 -0.4390 -0.4348 -0.1218 -0.1190 1.1622 1.1667 1.2919 1.3000 2.3177 2.3317 2.5574 2.5699 9.0709 9.0716 9.6173 9.6187 9.8237 9.8261 10.2182 10.2192 k = 0.4000-0.4147 0.0000 ( 4221 PWs) bands (ev): -25.3455 -25.3455 -19.8718 -19.8716 -19.0811 -19.0807 -15.7673 -15.7667 -9.4195 -9.4057 -9.0638 -9.0197 -8.8093 -8.8063 -8.7843 -8.7472 -7.8732 -7.8684 -5.7743 -5.7723 -3.7544 -3.7528 -2.7187 -2.7141 -2.3660 -2.3613 -0.8710 -0.8695 -0.4478 -0.4433 -0.1155 -0.1127 1.1669 1.1722 1.2900 1.2992 2.3124 2.3272 2.5596 2.5728 9.0580 9.0586 9.5804 9.5816 9.8386 9.8420 10.2242 10.2260 k = 0.3900-0.4043 0.0000 ( 4217 PWs) bands (ev): -25.3456 -25.3456 -19.8748 -19.8747 -19.0815 -19.0810 -15.7572 -15.7565 -9.4246 -9.4105 -9.0645 -9.0190 -8.8097 -8.8071 -8.7842 -8.7462 -7.8790 -7.8737 -5.7884 -5.7862 -3.7459 -3.7442 -2.7166 -2.7117 -2.3514 -2.3464 -0.8679 -0.8664 -0.4563 -0.4516 -0.1093 -0.1064 1.1721 1.1782 1.2881 1.2985 2.3072 2.3226 2.5619 2.5757 9.0425 9.0432 9.5454 9.5464 9.8521 9.8565 10.2300 10.2328 k = 0.3800-0.3940 0.0000 ( 4213 PWs) bands (ev): -25.3457 -25.3457 -19.8782 -19.8780 -19.0817 -19.0812 -15.7463 -15.7456 -9.4300 -9.4159 -9.0650 -9.0186 -8.8103 -8.8076 -8.7840 -8.7456 -7.8853 -7.8795 -5.8032 -5.8009 -3.7373 -3.7354 -2.7135 -2.7084 -2.3365 -2.3313 -0.8648 -0.8632 -0.4645 -0.4595 -0.1032 -0.1003 1.1776 1.1846 1.2863 1.2980 2.3022 2.3181 2.5645 2.5786 9.0246 9.0253 9.5125 9.5133 9.8634 9.8686 10.2361 10.2400 k = 0.3700-0.3836 0.0000 ( 4217 PWs) bands (ev): -25.3458 -25.3458 -19.8819 -19.8818 -19.0818 -19.0813 -15.7348 -15.7341 -9.4357 -9.4219 -9.0652 -9.0185 -8.8109 -8.8079 -8.7839 -8.7452 -7.8919 -7.8856 -5.8186 -5.8162 -3.7286 -3.7265 -2.7095 -2.7041 -2.3215 -2.3160 -0.8617 -0.8601 -0.4724 -0.4671 -0.0972 -0.0944 1.1832 1.1913 1.2848 1.2978 2.2975 2.3138 2.5672 2.5816 9.0042 9.0049 9.4820 9.4824 9.8717 9.8776 10.2427 10.2475 k = 0.3600-0.3732 0.0000 ( 4219 PWs) bands (ev): -25.3460 -25.3460 -19.8860 -19.8858 -19.0817 -19.0812 -15.7227 -15.7219 -9.4417 -9.4283 -9.0651 -9.0187 -8.8116 -8.8079 -8.7837 -8.7451 -7.8988 -7.8920 -5.8346 -5.8320 -3.7199 -3.7177 -2.7044 -2.6988 -2.3064 -2.3007 -0.8588 -0.8571 -0.4797 -0.4742 -0.0915 -0.0887 1.1888 1.1979 1.2838 1.2982 2.2931 2.3097 2.5700 2.5846 8.9814 8.9822 9.4538 9.4539 9.8768 9.8832 10.2490 10.2547 k = 0.3500-0.3629 0.0000 ( 4215 PWs) bands (ev): -25.3461 -25.3461 -19.8904 -19.8902 -19.0814 -19.0808 -15.7100 -15.7092 -9.4480 -9.4351 -9.0648 -9.0192 -8.8123 -8.8077 -8.7835 -8.7453 -7.9060 -7.8986 -5.8508 -5.8482 -3.7113 -3.7090 -2.6982 -2.6924 -2.2914 -2.2855 -0.8559 -0.8542 -0.4865 -0.4808 -0.0858 -0.0831 1.1941 1.2042 1.2836 1.2994 2.2892 2.3059 2.5730 2.5877 8.9562 8.9573 9.4278 9.4279 9.8786 9.8852 10.2533 10.2600 k = 0.3400-0.3525 0.0000 ( 4219 PWs) bands (ev): -25.3463 -25.3463 -19.8952 -19.8949 -19.0808 -19.0802 -15.6968 -15.6960 -9.4545 -9.4424 -9.0642 -9.0199 -8.8129 -8.8075 -8.7834 -8.7457 -7.9135 -7.9056 -5.8674 -5.8647 -3.7030 -3.7006 -2.6909 -2.6849 -2.2766 -2.2705 -0.8532 -0.8515 -0.4929 -0.4870 -0.0803 -0.0776 1.1989 1.2098 1.2847 1.3017 2.2857 2.3025 2.5762 2.5909 8.9290 8.9303 9.4038 9.4042 9.8773 9.8841 10.2535 10.2608 k = 0.3300-0.3421 0.0000 ( 4219 PWs) bands (ev): -25.3464 -25.3464 -19.9002 -19.9000 -19.0799 -19.0793 -15.6833 -15.6824 -9.4614 -9.4501 -9.0635 -9.0208 -8.8134 -8.8071 -8.7833 -8.7463 -7.9212 -7.9127 -5.8842 -5.8814 -3.6951 -3.6926 -2.6825 -2.6763 -2.2622 -2.2558 -0.8506 -0.8489 -0.4987 -0.4926 -0.0749 -0.0722 1.2028 1.2141 1.2877 1.3054 2.2827 2.2995 2.5796 2.5943 8.8999 8.9014 9.3820 9.3827 9.8735 9.8803 10.2466 10.2545 k = 0.3200-0.3318 0.0000 ( 4215 PWs) bands (ev): -25.3466 -25.3466 -19.9056 -19.9054 -19.0788 -19.0781 -15.6693 -15.6684 -9.4686 -9.4582 -9.0626 -9.0219 -8.8139 -8.8066 -8.7832 -8.7471 -7.9290 -7.9200 -5.9010 -5.8981 -3.6876 -3.6850 -2.6730 -2.6666 -2.2481 -2.2415 -0.8482 -0.8465 -0.5040 -0.4977 -0.0694 -0.0668 1.2056 1.2167 1.2929 1.3108 2.2803 2.2970 2.5832 2.5978 8.8691 8.8709 9.3621 9.3631 9.8676 9.8743 10.2302 10.2387 k = 0.3100-0.3214 0.0000 ( 4221 PWs) bands (ev): -25.3468 -25.3468 -19.9113 -19.9111 -19.0773 -19.0767 -15.6551 -15.6542 -9.4760 -9.4666 -9.0616 -9.0232 -8.8144 -8.8061 -8.7831 -8.7480 -7.9370 -7.9275 -5.9178 -5.9150 -3.6806 -3.6779 -2.6624 -2.6559 -2.2345 -2.2277 -0.8460 -0.8443 -0.5090 -0.5025 -0.0640 -0.0614 1.2072 1.2176 1.3004 1.3179 2.2785 2.2950 2.5871 2.6015 8.8368 8.8389 9.3442 9.3453 9.8599 9.8663 10.2028 10.2116 k = 0.3000-0.3110 0.0000 ( 4221 PWs) bands (ev): -25.3469 -25.3469 -19.9173 -19.9170 -19.0755 -19.0749 -15.6407 -15.6397 -9.4838 -9.4754 -9.0606 -9.0245 -8.8149 -8.8056 -8.7829 -8.7490 -7.9451 -7.9350 -5.9346 -5.9317 -3.6742 -3.6714 -2.6507 -2.6440 -2.2214 -2.2144 -0.8440 -0.8422 -0.5137 -0.5070 -0.0585 -0.0559 1.2075 1.2169 1.3099 1.3267 2.2774 2.2937 2.5912 2.6054 8.8030 8.8055 9.3280 9.3293 9.8507 9.8569 10.1642 10.1734 k = 0.2900-0.3007 0.0000 ( 4227 PWs) bands (ev): -25.3471 -25.3471 -19.9235 -19.9233 -19.0735 -19.0728 -15.6261 -15.6251 -9.4918 -9.4844 -9.0595 -9.0258 -8.8154 -8.8050 -8.7827 -8.7500 -7.9533 -7.9427 -5.9513 -5.9484 -3.6684 -3.6656 -2.6380 -2.6311 -2.2088 -2.2017 -0.8420 -0.8402 -0.5181 -0.5113 -0.0528 -0.0502 1.2068 1.2150 1.3212 1.3370 2.2770 2.2929 2.5956 2.6095 8.7679 8.7707 9.3134 9.3150 9.8401 9.8459 10.1160 10.1255 k = 0.2800-0.2903 0.0000 ( 4225 PWs) bands (ev): -25.3473 -25.3473 -19.9300 -19.9297 -19.0711 -19.0704 -15.6114 -15.6104 -9.5001 -9.4937 -9.0584 -9.0270 -8.8159 -8.8044 -8.7824 -8.7511 -7.9615 -7.9504 -5.9677 -5.9648 -3.6634 -3.6605 -2.6242 -2.6172 -2.1969 -2.1895 -0.8402 -0.8384 -0.5224 -0.5154 -0.0470 -0.0443 1.2052 1.2122 1.3337 1.3487 2.2773 2.2929 2.6004 2.6139 8.7313 8.7345 9.3006 9.3023 9.8279 9.8333 10.0607 10.0704 k = 0.2700-0.2799 0.0000 ( 4235 PWs) bands (ev): -25.3475 -25.3475 -19.9367 -19.9364 -19.0684 -19.0677 -15.5967 -15.5957 -9.5087 -9.5032 -9.0574 -9.0282 -8.8165 -8.8038 -8.7820 -8.7521 -7.9698 -7.9581 -5.9840 -5.9811 -3.6590 -3.6561 -2.6095 -2.6023 -2.1856 -2.1780 -0.8385 -0.8366 -0.5266 -0.5195 -0.0409 -0.0382 1.2029 1.2088 1.3473 1.3614 2.2783 2.2936 2.6054 2.6186 8.6931 8.6967 9.2894 9.2911 9.8138 9.8186 10.0015 10.0111 k = 0.2600-0.2695 0.0000 ( 4235 PWs) bands (ev): -25.3477 -25.3477 -19.9436 -19.9433 -19.0654 -19.0647 -15.5820 -15.5810 -9.5176 -9.5129 -9.0565 -9.0292 -8.8171 -8.8032 -8.7814 -8.7530 -7.9779 -7.9658 -5.9999 -5.9970 -3.6554 -3.6524 -2.5939 -2.5865 -2.1749 -2.1671 -0.8369 -0.8348 -0.5309 -0.5237 -0.0346 -0.0318 1.2000 1.2050 1.3615 1.3749 2.2803 2.2951 2.6107 2.6236 8.6534 8.6573 9.2797 9.2816 9.7962 9.8002 9.9423 9.9516 k = 0.2500-0.2592 0.0000 ( 4243 PWs) bands (ev): -25.3479 -25.3479 -19.9506 -19.9503 -19.0622 -19.0615 -15.5675 -15.5664 -9.5268 -9.5227 -9.0557 -9.0301 -8.8178 -8.8025 -8.7808 -8.7538 -7.9861 -7.9735 -6.0155 -6.0126 -3.6526 -3.6495 -2.5775 -2.5698 -2.1649 -2.1569 -0.8352 -0.8331 -0.5354 -0.5281 -0.0279 -0.0251 1.1967 1.2009 1.3762 1.3890 2.2831 2.2975 2.6163 2.6289 8.6117 8.6159 9.2717 9.2736 9.7723 9.7753 9.8885 9.8968 k = 0.2400-0.2488 0.0000 ( 4241 PWs) bands (ev): -25.3481 -25.3481 -19.9577 -19.9575 -19.0587 -19.0580 -15.5530 -15.5520 -9.5362 -9.5327 -9.0551 -9.0306 -8.8184 -8.8019 -8.7800 -8.7545 -7.9942 -7.9812 -6.0307 -6.0279 -3.6505 -3.6474 -2.5602 -2.5524 -2.1555 -2.1473 -0.8336 -0.8313 -0.5401 -0.5327 -0.0210 -0.0180 1.1932 1.1967 1.3911 1.4035 2.2869 2.3009 2.6223 2.6344 8.5680 8.5725 9.2652 9.2671 9.7367 9.7404 9.8464 9.8527 k = 0.2300-0.2384 0.0000 ( 4239 PWs) bands (ev): -25.3482 -25.3482 -19.9649 -19.9647 -19.0549 -19.0542 -15.5388 -15.5378 -9.5459 -9.5427 -9.0546 -9.0309 -8.8190 -8.8013 -8.7790 -8.7551 -8.0021 -7.9887 -6.0456 -6.0428 -3.6491 -3.6460 -2.5423 -2.5342 -2.1468 -2.1384 -0.8320 -0.8296 -0.5450 -0.5376 -0.0137 -0.0107 1.1895 1.1925 1.4061 1.4180 2.2917 2.3052 2.6285 2.6402 8.5220 8.5269 9.2601 9.2620 9.6894 9.6952 9.8171 9.8217 k = 0.2200-0.2281 0.0000 ( 4241 PWs) bands (ev): -25.3484 -25.3484 -19.9722 -19.9720 -19.0510 -19.0503 -15.5248 -15.5238 -9.5558 -9.5527 -9.0543 -9.0310 -8.8195 -8.8006 -8.7780 -8.7555 -8.0100 -7.9962 -6.0600 -6.0572 -3.6484 -3.6453 -2.5237 -2.5155 -2.1387 -2.1301 -0.8303 -0.8278 -0.5503 -0.5428 -0.0062 -0.0031 1.1857 1.1883 1.4208 1.4324 2.2976 2.3107 2.6349 2.6463 8.4737 8.4788 9.2566 9.2584 9.6371 9.6444 9.7959 9.7996 k = 0.2100-0.2177 0.0000 ( 4251 PWs) bands (ev): -25.3486 -25.3486 -19.9795 -19.9792 -19.0469 -19.0462 -15.5112 -15.5101 -9.5659 -9.5628 -9.0541 -9.0308 -8.8200 -8.7999 -8.7769 -8.7558 -8.0177 -8.0037 -6.0740 -6.0713 -3.6484 -3.6453 -2.5045 -2.4962 -2.1313 -2.1224 -0.8287 -0.8260 -0.5558 -0.5483 0.0016 0.0048 1.1819 1.1841 1.4352 1.4465 2.3046 2.3173 2.6416 2.6526 8.4230 8.4282 9.2543 9.2561 9.5853 9.5932 9.7786 9.7818 k = 0.2000-0.2073 0.0000 ( 4249 PWs) bands (ev): -25.3488 -25.3488 -19.9867 -19.9865 -19.0426 -19.0420 -15.4978 -15.4968 -9.5761 -9.5729 -9.0538 -9.0305 -8.8203 -8.7991 -8.7758 -8.7560 -8.0252 -8.0110 -6.0874 -6.0848 -3.6490 -3.6459 -2.4850 -2.4764 -2.1245 -2.1154 -0.8270 -0.8241 -0.5617 -0.5542 0.0097 0.0129 1.1781 1.1801 1.4491 1.4601 2.3128 2.3250 2.6484 2.6591 8.3699 8.3753 9.2531 9.2548 9.5365 9.5446 9.7634 9.7661 k = 0.1900-0.1970 0.0000 ( 4245 PWs) bands (ev): -25.3490 -25.3490 -19.9939 -19.9936 -19.0383 -19.0376 -15.4849 -15.4839 -9.5862 -9.5829 -9.0536 -9.0300 -8.8205 -8.7983 -8.7746 -8.7560 -8.0326 -8.0181 -6.1004 -6.0979 -3.6502 -3.6471 -2.4650 -2.4563 -2.1182 -2.1089 -0.8252 -0.8222 -0.5680 -0.5604 0.0179 0.0212 1.1745 1.1762 1.4623 1.4731 2.3222 2.3340 2.6554 2.6657 8.3147 8.3201 9.2528 9.2544 9.4922 9.5002 9.7495 9.7518 k = 0.1800-0.1866 0.0000 ( 4237 PWs) bands (ev): -25.3491 -25.3491 -20.0009 -20.0006 -19.0338 -19.0332 -15.4724 -15.4715 -9.5964 -9.5929 -9.0533 -9.0294 -8.8204 -8.7974 -8.7735 -8.7559 -8.0397 -8.0252 -6.1128 -6.1104 -3.6519 -3.6489 -2.4449 -2.4359 -2.1125 -2.1031 -0.8235 -0.8203 -0.5745 -0.5670 0.0263 0.0296 1.1709 1.1725 1.4746 1.4852 2.3328 2.3443 2.6624 2.6725 8.2577 8.2630 9.2530 9.2545 9.4532 9.4607 9.7368 9.7385 k = 0.1700-0.1762 0.0000 ( 4231 PWs) bands (ev): -25.3493 -25.3493 -20.0078 -20.0075 -19.0294 -19.0287 -15.4604 -15.4595 -9.6064 -9.6028 -9.0530 -9.0288 -8.8202 -8.7965 -8.7723 -8.7557 -8.0466 -8.0321 -6.1247 -6.1224 -3.6541 -3.6511 -2.4246 -2.4155 -2.1074 -2.0978 -0.8217 -0.8184 -0.5813 -0.5738 0.0347 0.0380 1.1676 1.1690 1.4860 1.4963 2.3447 2.3557 2.6695 2.6792 8.1992 8.2044 9.2530 9.2547 9.4199 9.4268 9.7253 9.7264 k = 0.1600-0.1659 0.0000 ( 4233 PWs) bands (ev): -25.3495 -25.3495 -20.0145 -20.0142 -19.0249 -19.0243 -15.4490 -15.4481 -9.6163 -9.6126 -9.0525 -9.0282 -8.8197 -8.7955 -8.7712 -8.7554 -8.0533 -8.0388 -6.1361 -6.1339 -3.6567 -3.6537 -2.4043 -2.3950 -2.1029 -2.0930 -0.8198 -0.8164 -0.5884 -0.5809 0.0431 0.0464 1.1644 1.1657 1.4964 1.5064 2.3576 2.3682 2.6765 2.6860 8.1398 8.1449 9.2521 9.2544 9.3926 9.3986 9.7152 9.7156 k = 0.1500-0.1555 0.0000 ( 4233 PWs) bands (ev): -25.3496 -25.3496 -20.0210 -20.0207 -19.0205 -19.0199 -15.4380 -15.4372 -9.6259 -9.6222 -9.0519 -9.0276 -8.8190 -8.7946 -8.7701 -8.7551 -8.0597 -8.0454 -6.1469 -6.1448 -3.6595 -3.6567 -2.3840 -2.3746 -2.0988 -2.0888 -0.8180 -0.8144 -0.5956 -0.5882 0.0515 0.0546 1.1615 1.1627 1.5057 1.5153 2.3715 2.3818 2.6835 2.6927 8.0802 8.0850 9.2497 9.2530 9.3714 9.3766 9.7065 9.7068 k = 0.1400-0.1451 0.0000 ( 4245 PWs) bands (ev): -25.3498 -25.3498 -20.0272 -20.0270 -19.0162 -19.0157 -15.4277 -15.4268 -9.6352 -9.6316 -9.0511 -9.0271 -8.8181 -8.7936 -8.7691 -8.7547 -8.0658 -8.0518 -6.1571 -6.1551 -3.6626 -3.6599 -2.3640 -2.3544 -2.0954 -2.0852 -0.8161 -0.8124 -0.6030 -0.5956 0.0597 0.0627 1.1588 1.1599 1.5139 1.5231 2.3864 2.3963 2.6903 2.6992 8.0208 8.0253 9.2453 9.2498 9.3560 9.3606 9.6995 9.7006 k = 0.1300-0.1348 0.0000 ( 4247 PWs) bands (ev): -25.3499 -25.3499 -20.0332 -20.0330 -19.0120 -19.0115 -15.4179 -15.4171 -9.6442 -9.6407 -9.0502 -9.0266 -8.8170 -8.7926 -8.7681 -8.7543 -8.0717 -8.0579 -6.1667 -6.1648 -3.6659 -3.6633 -2.3443 -2.3346 -2.0924 -2.0821 -0.8142 -0.8104 -0.6104 -0.6032 0.0676 0.0706 1.1563 1.1574 1.5209 1.5298 2.4019 2.4114 2.6969 2.7056 7.9623 7.9666 9.2392 9.2449 9.3453 9.3499 9.6950 9.6969 k = 0.1200-0.1244 0.0000 ( 4239 PWs) bands (ev): -25.3501 -25.3501 -20.0388 -20.0386 -19.0079 -19.0074 -15.4088 -15.4080 -9.6528 -9.6494 -9.0491 -9.0263 -8.8156 -8.7916 -8.7671 -8.7539 -8.0771 -8.0638 -6.1756 -6.1738 -3.6693 -3.6668 -2.3251 -2.3153 -2.0900 -2.0796 -0.8123 -0.8084 -0.6178 -0.6107 0.0754 0.0782 1.1541 1.1551 1.5270 1.5354 2.4179 2.4270 2.7033 2.7117 7.9054 7.9094 9.2322 9.2387 9.3380 9.3431 9.6936 9.6963 k = 0.1100-0.1140 0.0000 ( 4239 PWs) bands (ev): -25.3502 -25.3502 -20.0441 -20.0439 -19.0040 -19.0036 -15.4003 -15.3996 -9.6609 -9.6577 -9.0479 -9.0260 -8.8141 -8.7907 -8.7661 -8.7536 -8.0822 -8.0695 -6.1838 -6.1822 -3.6727 -3.6703 -2.3065 -2.2965 -2.0880 -2.0776 -0.8103 -0.8064 -0.6251 -0.6182 0.0827 0.0854 1.1521 1.1531 1.5320 1.5399 2.4341 2.4429 2.7094 2.7175 7.8506 7.8544 9.2252 9.2322 9.3328 9.3383 9.6955 9.6991 k = 0.1000-0.1037 0.0000 ( 4237 PWs) bands (ev): -25.3503 -25.3503 -20.0490 -20.0489 -19.0004 -19.0000 -15.3925 -15.3919 -9.6685 -9.6654 -9.0466 -9.0258 -8.8123 -8.7898 -8.7652 -8.7532 -8.0869 -8.0749 -6.1915 -6.1900 -3.6760 -3.6738 -2.2885 -2.2786 -2.0866 -2.0762 -0.8084 -0.8045 -0.6322 -0.6255 0.0897 0.0922 1.1504 1.1513 1.5361 1.5435 2.4503 2.4587 2.7152 2.7229 7.7986 7.8020 9.2190 9.2261 9.3283 9.3342 9.7012 9.7054 k = 0.0900-0.0933 0.0000 ( 4235 PWs) bands (ev): -25.3504 -25.3504 -20.0535 -20.0534 -18.9970 -18.9966 -15.3854 -15.3848 -9.6755 -9.6727 -9.0452 -9.0258 -8.8105 -8.7892 -8.7643 -8.7530 -8.0911 -8.0799 -6.1984 -6.1970 -3.6793 -3.6773 -2.2714 -2.2615 -2.0857 -2.0753 -0.8065 -0.8026 -0.6390 -0.6327 0.0962 0.0985 1.1489 1.1497 1.5394 1.5462 2.4662 2.4741 2.7206 2.7279 7.7499 7.7529 9.2138 9.2209 9.3238 9.3299 9.7105 9.7155 k = 0.0800-0.0829 0.0000 ( 4235 PWs) bands (ev): -25.3505 -25.3505 -20.0576 -20.0575 -18.9938 -18.9935 -15.3790 -15.3785 -9.6819 -9.6793 -9.0438 -9.0259 -8.8085 -8.7887 -8.7634 -8.7528 -8.0949 -8.0846 -6.2046 -6.2034 -3.6823 -3.6805 -2.2552 -2.2454 -2.0852 -2.0750 -0.8045 -0.8007 -0.6455 -0.6395 0.1021 0.1042 1.1476 1.1484 1.5421 1.5482 2.4815 2.4889 2.7255 2.7325 7.7048 7.7076 9.2099 9.2168 9.3188 9.3249 9.7236 9.7292 k = 0.0700-0.0726 0.0000 ( 4231 PWs) bands (ev): -25.3506 -25.3506 -20.0613 -20.0612 -18.9910 -18.9907 -15.3733 -15.3728 -9.6877 -9.6854 -9.0422 -9.0262 -8.8064 -8.7883 -8.7624 -8.7528 -8.0983 -8.0890 -6.2102 -6.2091 -3.6851 -3.6835 -2.2401 -2.2306 -2.0851 -2.0752 -0.8026 -0.7990 -0.6515 -0.6459 0.1075 0.1094 1.1466 1.1473 1.5441 1.5496 2.4960 2.5027 2.7301 2.7365 7.6640 7.6664 9.2074 9.2140 9.3133 9.3193 9.7400 9.7462 k = 0.0600-0.0622 0.0000 ( 4227 PWs) bands (ev): -25.3507 -25.3507 -20.0645 -20.0644 -18.9885 -18.9882 -15.3683 -15.3679 -9.6927 -9.6907 -9.0407 -9.0266 -8.8043 -8.7882 -8.7615 -8.7529 -8.1011 -8.0929 -6.2150 -6.2140 -3.6877 -3.6863 -2.2263 -2.2171 -2.0854 -2.0759 -0.8008 -0.7974 -0.6569 -0.6519 0.1123 0.1139 1.1457 1.1463 1.5457 1.5505 2.5092 2.5153 2.7342 2.7399 7.6278 7.6299 9.2061 9.2123 9.3073 9.3131 9.7595 9.7661 k = 0.0500-0.0518 0.0000 ( 4225 PWs) bands (ev): -25.3508 -25.3508 -20.0672 -20.0672 -18.9863 -18.9861 -15.3641 -15.3638 -9.6970 -9.6953 -9.0391 -9.0271 -8.8022 -8.7884 -8.7605 -8.7530 -8.1034 -8.0964 -6.2190 -6.2183 -3.6899 -3.6887 -2.2137 -2.2053 -2.0859 -2.0771 -0.7990 -0.7960 -0.6617 -0.6573 0.1164 0.1178 1.1451 1.1456 1.5469 1.5509 2.5210 2.5263 2.7378 2.7428 7.5966 7.5983 9.2058 9.2116 9.3012 9.3067 9.7815 9.7883 k = 0.0400-0.0415 0.0000 ( 4225 PWs) bands (ev): -25.3508 -25.3508 -20.0695 -20.0694 -18.9845 -18.9843 -15.3606 -15.3604 -9.7005 -9.6991 -9.0376 -9.0278 -8.8001 -8.7888 -8.7595 -8.7533 -8.1052 -8.0995 -6.2224 -6.2218 -3.6917 -3.6908 -2.2028 -2.1952 -2.0864 -2.0787 -0.7974 -0.7948 -0.6657 -0.6620 0.1199 0.1210 1.1445 1.1450 1.5478 1.5510 2.5312 2.5356 2.7408 2.7451 7.5707 7.5720 9.2065 9.2116 9.2954 9.3002 9.8053 9.8122 k = 0.0300-0.0311 0.0000 ( 4225 PWs) bands (ev): -25.3509 -25.3509 -20.0713 -20.0712 -18.9831 -18.9830 -15.3579 -15.3577 -9.7032 -9.7022 -9.0361 -9.0287 -8.7981 -8.7895 -8.7585 -8.7538 -8.1064 -8.1021 -6.2250 -6.2245 -3.6932 -3.6925 -2.1935 -2.1873 -2.0869 -2.0806 -0.7959 -0.7939 -0.6688 -0.6659 0.1226 0.1235 1.1442 1.1445 1.5485 1.5510 2.5395 2.5429 2.7434 2.7467 7.5502 7.5513 9.2078 9.2120 9.2902 9.2943 9.8300 9.8367 k = 0.0200-0.0207 0.0000 ( 4221 PWs) bands (ev): -25.3509 -25.3509 -20.0725 -20.0725 -18.9821 -18.9820 -15.3560 -15.3559 -9.7051 -9.7045 -9.0346 -9.0296 -8.7962 -8.7904 -8.7575 -8.7543 -8.1070 -8.1041 -6.2268 -6.2265 -3.6942 -3.6937 -2.1863 -2.1818 -2.0871 -2.0825 -0.7948 -0.7933 -0.6709 -0.6689 0.1246 0.1252 1.1439 1.1442 1.5491 1.5507 2.5457 2.5480 2.7454 2.7477 7.5356 7.5363 9.2094 9.2124 9.2863 9.2893 9.8540 9.8600 k = 0.0100-0.0104 0.0000 ( 4223 PWs) bands (ev): -25.3509 -25.3509 -20.0733 -20.0733 -18.9814 -18.9814 -15.3548 -15.3547 -9.7062 -9.7059 -9.0332 -9.0307 -8.7945 -8.7916 -8.7566 -8.7550 -8.1072 -8.1057 -6.2279 -6.2277 -3.6948 -3.6945 -2.1812 -2.1789 -2.0868 -2.0843 -0.7939 -0.7931 -0.6720 -0.6710 0.1259 0.1262 1.1438 1.1439 1.5496 1.5504 2.5497 2.5509 2.7469 2.7480 7.5268 7.5271 9.2110 9.2126 9.2841 9.2857 9.8741 9.8781 k = 0.0000 0.0000 0.0000 ( 4219 PWs) bands (ev): -25.3509 -25.3509 -20.0735 -20.0735 -18.9812 -18.9812 -15.3544 -15.3544 -9.7065 -9.7065 -9.0319 -9.0319 -8.7929 -8.7929 -8.7558 -8.7558 -8.1067 -8.1067 -6.2282 -6.2282 -3.6949 -3.6949 -2.1787 -2.1787 -2.0858 -2.0858 -0.7933 -0.7933 -0.6720 -0.6720 0.1264 0.1264 1.1438 1.1438 1.5500 1.5500 2.5515 2.5515 2.7478 2.7478 7.5239 7.5239 9.2121 9.2121 9.2839 9.2839 9.8840 9.8840 k = 0.0000 0.0000 0.0000 ( 4219 PWs) bands (ev): -25.3509 -25.3509 -20.0735 -20.0735 -18.9812 -18.9812 -15.3544 -15.3544 -9.7065 -9.7065 -9.0319 -9.0319 -8.7929 -8.7929 -8.7558 -8.7558 -8.1067 -8.1067 -6.2282 -6.2282 -3.6949 -3.6949 -2.1787 -2.1787 -2.0858 -2.0858 -0.7933 -0.7933 -0.6720 -0.6720 0.1264 0.1264 1.1438 1.1438 1.5500 1.5500 2.5515 2.5515 2.7478 2.7478 7.5239 7.5239 9.2121 9.2121 9.2839 9.2839 9.8840 9.8840 k = 0.0139-0.0005-0.0033 ( 4221 PWs) bands (ev): -25.3509 -25.3509 -20.0733 -20.0733 -18.9814 -18.9813 -15.3548 -15.3548 -9.7063 -9.7060 -9.0328 -9.0310 -8.7941 -8.7918 -8.7564 -8.7552 -8.1071 -8.1059 -6.2278 -6.2277 -3.6948 -3.6946 -2.1803 -2.1786 -2.0868 -2.0851 -0.7937 -0.7932 -0.6720 -0.6713 0.1259 0.1262 1.1438 1.1441 1.5495 1.5501 2.5504 2.5512 2.7468 2.7476 7.5267 7.5271 9.2119 9.2131 9.2841 9.2852 9.8771 9.8800 k = 0.0278-0.0010-0.0067 ( 4223 PWs) bands (ev): -25.3509 -25.3509 -20.0727 -20.0727 -18.9818 -18.9818 -15.3560 -15.3559 -9.7055 -9.7049 -9.0337 -9.0302 -8.7952 -8.7908 -8.7570 -8.7548 -8.1071 -8.1048 -6.2266 -6.2264 -3.6945 -3.6941 -2.1834 -2.1801 -2.0879 -2.0845 -0.7945 -0.7935 -0.6712 -0.6698 0.1246 0.1251 1.1441 1.1445 1.5485 1.5498 2.5478 2.5494 2.7448 2.7464 7.5354 7.5361 9.2126 9.2147 9.2859 9.2881 9.8617 9.8665 k = 0.0417-0.0015-0.0100 ( 4222 PWs) bands (ev): -25.3509 -25.3509 -20.0716 -20.0716 -18.9825 -18.9824 -15.3581 -15.3579 -9.7040 -9.7031 -9.0346 -9.0294 -8.7963 -8.7897 -8.7577 -8.7544 -8.1067 -8.1034 -6.2245 -6.2242 -3.6939 -3.6934 -2.1879 -2.1832 -2.0890 -2.0843 -0.7956 -0.7942 -0.6695 -0.6675 0.1225 0.1233 1.1445 1.1453 1.5471 1.5490 2.5437 2.5462 2.7418 2.7442 7.5499 7.5509 9.2138 9.2167 9.2897 9.2927 9.8413 9.8470 k = 0.0556-0.0020-0.0134 ( 4224 PWs) bands (ev): -25.3508 -25.3508 -20.0701 -20.0701 -18.9836 -18.9834 -15.3608 -15.3606 -9.7019 -9.7007 -9.0354 -9.0286 -8.7974 -8.7888 -8.7584 -8.7540 -8.1059 -8.1016 -6.2217 -6.2212 -3.6930 -3.6923 -2.1937 -2.1878 -2.0903 -2.0842 -0.7972 -0.7953 -0.6671 -0.6644 0.1197 0.1208 1.1452 1.1462 1.5453 1.5478 2.5382 2.5415 2.7381 2.7412 7.5700 7.5714 9.2150 9.2186 9.2958 9.2994 9.8182 9.8242 k = 0.0694-0.0025-0.0167 ( 4228 PWs) bands (ev): -25.3508 -25.3508 -20.0682 -20.0682 -18.9849 -18.9847 -15.3644 -15.3641 -9.6991 -9.6977 -9.0363 -9.0279 -8.7985 -8.7879 -8.7591 -8.7537 -8.1048 -8.0994 -6.2180 -6.2175 -3.6919 -3.6911 -2.2008 -2.1939 -2.0915 -2.0844 -0.7992 -0.7970 -0.6638 -0.6606 0.1162 0.1176 1.1461 1.1473 1.5430 1.5461 2.5311 2.5352 2.7337 2.7376 7.5956 7.5973 9.2160 9.2197 9.3044 9.3084 9.7937 9.7997 k = 0.0833-0.0030-0.0201 ( 4227 PWs) bands (ev): -25.3507 -25.3507 -20.0659 -20.0658 -18.9864 -18.9862 -15.3686 -15.3683 -9.6959 -9.6941 -9.0371 -9.0272 -8.7996 -8.7870 -8.7598 -8.7535 -8.1033 -8.0970 -6.2135 -6.2129 -3.6905 -3.6896 -2.2091 -2.2014 -2.0928 -2.0849 -0.8018 -0.7994 -0.6597 -0.6561 0.1121 0.1137 1.1472 1.1486 1.5403 1.5439 2.5224 2.5273 2.7290 2.7336 7.6263 7.6283 9.2161 9.2197 9.3158 9.3198 9.7687 9.7745 k = 0.0972-0.0035-0.0234 ( 4232 PWs) bands (ev): -25.3506 -25.3506 -20.0632 -20.0631 -18.9883 -18.9881 -15.3736 -15.3732 -9.6920 -9.6900 -9.0379 -9.0266 -8.8006 -8.7863 -8.7605 -8.7534 -8.1015 -8.0943 -6.2083 -6.2075 -3.6890 -3.6879 -2.2184 -2.2102 -2.0940 -2.0855 -0.8050 -0.8024 -0.6548 -0.6508 0.1075 0.1093 1.1485 1.1501 1.5370 1.5412 2.5121 2.5177 2.7241 2.7294 7.6619 7.6642 9.2152 9.2183 9.3297 9.3336 9.7439 9.7493 k = 0.1111-0.0040-0.0268 ( 4235 PWs) bands (ev): -25.3505 -25.3505 -20.0601 -20.0600 -18.9904 -18.9901 -15.3792 -15.3788 -9.6877 -9.6853 -9.0386 -9.0261 -8.8015 -8.7856 -8.7611 -8.7533 -8.0994 -8.0914 -6.2023 -6.2014 -3.6873 -3.6860 -2.2288 -2.2201 -2.0952 -2.0862 -0.8088 -0.8061 -0.6493 -0.6450 0.1023 0.1044 1.1499 1.1517 1.5333 1.5380 2.5004 2.5067 2.7192 2.7251 7.7020 7.7046 9.2130 9.2156 9.3458 9.3496 9.7200 9.7248 k = 0.1250-0.0045-0.0301 ( 4237 PWs) bands (ev): -25.3505 -25.3505 -20.0567 -20.0566 -18.9927 -18.9924 -15.3853 -15.3849 -9.6830 -9.6803 -9.0393 -9.0255 -8.8023 -8.7851 -8.7617 -8.7532 -8.0969 -8.0883 -6.1956 -6.1947 -3.6854 -3.6840 -2.2399 -2.2311 -2.0963 -2.0871 -0.8133 -0.8105 -0.6433 -0.6388 0.0969 0.0991 1.1515 1.1534 1.5291 1.5342 2.4872 2.4941 2.7146 2.7210 7.7461 7.7491 9.2094 9.2114 9.3636 9.3674 9.6976 9.7017 k = 0.1389-0.0050-0.0335 ( 4239 PWs) bands (ev): -25.3504 -25.3504 -20.0529 -20.0528 -18.9953 -18.9950 -15.3920 -15.3916 -9.6778 -9.6748 -9.0399 -9.0251 -8.8031 -8.7847 -8.7623 -8.7532 -8.0942 -8.0849 -6.1882 -6.1872 -3.6834 -3.6819 -2.2518 -2.2429 -2.0975 -2.0881 -0.8183 -0.8155 -0.6369 -0.6322 0.0911 0.0936 1.1532 1.1553 1.5243 1.5299 2.4728 2.4802 2.7102 2.7171 7.7940 7.7973 9.2043 9.2057 9.3825 9.3864 9.6776 9.6806 k = 0.1528-0.0055-0.0368 ( 4239 PWs) bands (ev): -25.3502 -25.3502 -20.0488 -20.0487 -18.9980 -18.9977 -15.3993 -15.3987 -9.6723 -9.6690 -9.0405 -9.0247 -8.8037 -8.7844 -8.7627 -8.7533 -8.0912 -8.0815 -6.1802 -6.1791 -3.6814 -3.6797 -2.2643 -2.2553 -2.0986 -2.0892 -0.8240 -0.8212 -0.6303 -0.6254 0.0853 0.0879 1.1549 1.1571 1.5191 1.5250 2.4574 2.4652 2.7062 2.7134 7.8451 7.8486 9.1974 9.1987 9.4017 9.4060 9.6609 9.6625 k = 0.1667-0.0060-0.0402 ( 4244 PWs) bands (ev): -25.3501 -25.3501 -20.0445 -20.0443 -19.0010 -19.0007 -15.4069 -15.4064 -9.6666 -9.6629 -9.0410 -9.0243 -8.8042 -8.7842 -8.7631 -8.7533 -8.0881 -8.0779 -6.1716 -6.1705 -3.6793 -3.6775 -2.2771 -2.2683 -2.0997 -2.0904 -0.8302 -0.8274 -0.6236 -0.6187 0.0794 0.0822 1.1567 1.1590 1.5133 1.5196 2.4411 2.4493 2.7026 2.7100 7.8989 7.9027 9.1890 9.1902 9.4199 9.4250 9.6483 9.6488 k = 0.1806-0.0065-0.0435 ( 4244 PWs) bands (ev): -25.3500 -25.3500 -20.0398 -20.0397 -19.0042 -19.0039 -15.4149 -15.4143 -9.6606 -9.6565 -9.0415 -9.0240 -8.8045 -8.7841 -8.7633 -8.7534 -8.0847 -8.0742 -6.1625 -6.1613 -3.6771 -3.6753 -2.2903 -2.2816 -2.1008 -2.0916 -0.8368 -0.8341 -0.6171 -0.6121 0.0737 0.0765 1.1584 1.1609 1.5070 1.5136 2.4242 2.4327 2.6994 2.7069 7.9548 7.9590 9.1789 9.1805 9.4361 9.4423 9.6396 9.6421 k = 0.1944-0.0070-0.0469 ( 4241 PWs) bands (ev): -25.3499 -25.3499 -20.0349 -20.0348 -19.0076 -19.0072 -15.4232 -15.4226 -9.6544 -9.6501 -9.0418 -9.0236 -8.8047 -8.7842 -8.7635 -8.7534 -8.0812 -8.0704 -6.1529 -6.1517 -3.6750 -3.6732 -2.3037 -2.2951 -2.1018 -2.0928 -0.8440 -0.8413 -0.6109 -0.6059 0.0682 0.0712 1.1602 1.1628 1.5003 1.5072 2.4070 2.4157 2.6965 2.7041 8.0124 8.0168 9.1677 9.1695 9.4489 9.4563 9.6375 9.6424 k = 0.2083-0.0075-0.0502 ( 4242 PWs) bands (ev): -25.3497 -25.3497 -20.0299 -20.0297 -19.0111 -19.0107 -15.4318 -15.4312 -9.6481 -9.6435 -9.0421 -9.0233 -8.8048 -8.7844 -8.7636 -8.7535 -8.0776 -8.0667 -6.1429 -6.1416 -3.6730 -3.6710 -2.3170 -2.3087 -2.1029 -2.0940 -0.8515 -0.8489 -0.6052 -0.6002 0.0632 0.0661 1.1620 1.1646 1.4931 1.5002 2.3897 2.3985 2.6939 2.7016 8.0710 8.0756 9.1555 9.1576 9.4576 9.4661 9.6431 9.6501 k = 0.2222-0.0080-0.0535 ( 4236 PWs) bands (ev): -25.3496 -25.3496 -20.0246 -20.0245 -19.0147 -19.0143 -15.4405 -15.4399 -9.6418 -9.6368 -9.0423 -9.0230 -8.8047 -8.7846 -8.7636 -8.7536 -8.0739 -8.0629 -6.1325 -6.1312 -3.6710 -3.6690 -2.3303 -2.3222 -2.1039 -2.0952 -0.8593 -0.8569 -0.6001 -0.5951 0.0586 0.0616 1.1636 1.1663 1.4855 1.4928 2.3725 2.3813 2.6916 2.6992 8.1300 8.1348 9.1430 9.1452 9.4623 9.4714 9.6562 9.6647 k = 0.2361-0.0085-0.0569 ( 4235 PWs) bands (ev): -25.3495 -25.3495 -20.0192 -20.0191 -19.0184 -19.0180 -15.4493 -15.4487 -9.6355 -9.6302 -9.0424 -9.0227 -8.8045 -8.7849 -8.7636 -8.7537 -8.0702 -8.0592 -6.1219 -6.1206 -3.6691 -3.6671 -2.3434 -2.3356 -2.1048 -2.0964 -0.8675 -0.8651 -0.5958 -0.5908 0.0547 0.0577 1.1652 1.1679 1.4776 1.4851 2.3555 2.3644 2.6895 2.6970 8.1886 8.1936 9.1305 9.1329 9.4642 9.4731 9.6757 9.6851 k = 0.2500-0.0090-0.0602 ( 4241 PWs) bands (ev): -25.3493 -25.3493 -20.0138 -20.0136 -19.0222 -19.0219 -15.4582 -15.4576 -9.6292 -9.6237 -9.0424 -9.0225 -8.8042 -8.7852 -8.7636 -8.7538 -8.0664 -8.0556 -6.1111 -6.1097 -3.6673 -3.6653 -2.3562 -2.3486 -2.1057 -2.0976 -0.8759 -0.8736 -0.5922 -0.5873 0.0514 0.0544 1.1666 1.1694 1.4695 1.4770 2.3390 2.3478 2.6876 2.6950 8.2460 8.2513 9.1189 9.1214 9.4643 9.4727 9.6998 9.7096 k = 0.2639-0.0095-0.0636 ( 4239 PWs) bands (ev): -25.3492 -25.3492 -20.0082 -20.0081 -19.0261 -19.0257 -15.4670 -15.4664 -9.6230 -9.6173 -9.0424 -9.0222 -8.8038 -8.7855 -8.7635 -8.7538 -8.0627 -8.0520 -6.1002 -6.0988 -3.6657 -3.6637 -2.3685 -2.3613 -2.1065 -2.0987 -0.8844 -0.8822 -0.5895 -0.5847 0.0489 0.0518 1.1680 1.1707 1.4612 1.4686 2.3231 2.3318 2.6859 2.6931 8.3014 8.3068 9.1089 9.1115 9.4634 9.4711 9.7273 9.7372 k = 0.2778-0.0100-0.0669 ( 4238 PWs) bands (ev): -25.3491 -25.3491 -20.0027 -20.0025 -19.0300 -19.0296 -15.4758 -15.4752 -9.6170 -9.6111 -9.0422 -9.0219 -8.8032 -8.7858 -8.7634 -8.7539 -8.0590 -8.0486 -6.0893 -6.0878 -3.6643 -3.6623 -2.3804 -2.3735 -2.1072 -2.0997 -0.8931 -0.8910 -0.5876 -0.5829 0.0473 0.0501 1.1691 1.1718 1.4528 1.4602 2.3079 2.3164 2.6843 2.6913 8.3537 8.3593 9.1015 9.1040 9.4622 9.4690 9.7571 9.7670 k = 0.2917-0.0105-0.0703 ( 4236 PWs) bands (ev): -25.3489 -25.3489 -19.9972 -19.9970 -19.0339 -19.0335 -15.4843 -15.4837 -9.6111 -9.6052 -9.0419 -9.0216 -8.8026 -8.7861 -8.7633 -8.7540 -8.0554 -8.0453 -6.0784 -6.0770 -3.6629 -3.6610 -2.3918 -2.3852 -2.1078 -2.1007 -0.9019 -0.8998 -0.5866 -0.5821 0.0464 0.0491 1.1701 1.1728 1.4444 1.4517 2.2935 2.3018 2.6829 2.6896 8.4021 8.4078 9.0973 9.0999 9.4610 9.4669 9.7888 9.7985 k = 0.3056-0.0110-0.0736 ( 4232 PWs) bands (ev): -25.3488 -25.3488 -19.9917 -19.9916 -19.0378 -19.0374 -15.4927 -15.4921 -9.6055 -9.5995 -9.0415 -9.0214 -8.8018 -8.7863 -8.7632 -8.7541 -8.0518 -8.0421 -6.0676 -6.0662 -3.6618 -3.6599 -2.4026 -2.3963 -2.1083 -2.1016 -0.9106 -0.9087 -0.5863 -0.5820 0.0462 0.0488 1.1709 1.1735 1.4361 1.4432 2.2799 2.2879 2.6816 2.6880 8.4455 8.4511 9.0974 9.1000 9.4599 9.4648 9.8218 9.8313 k = 0.3194-0.0115-0.0770 ( 4231 PWs) bands (ev): -25.3486 -25.3486 -19.9864 -19.9862 -19.0416 -19.0412 -15.5008 -15.5002 -9.6001 -9.5941 -9.0410 -9.0212 -8.8010 -8.7865 -8.7631 -8.7542 -8.0484 -8.0392 -6.0571 -6.0557 -3.6608 -3.6590 -2.4127 -2.4068 -2.1088 -2.1024 -0.9193 -0.9175 -0.5868 -0.5826 0.0468 0.0492 1.1716 1.1741 1.4280 1.4349 2.2673 2.2750 2.6803 2.6864 8.4829 8.4884 9.1024 9.1049 9.4589 9.4630 9.8561 9.8653 k = 0.3333-0.0120-0.0803 ( 4232 PWs) bands (ev): -25.3485 -25.3485 -19.9812 -19.9811 -19.0452 -19.0449 -15.5085 -15.5079 -9.5950 -9.5891 -9.0404 -9.0210 -8.8001 -8.7866 -8.7630 -8.7543 -8.0451 -8.0364 -6.0469 -6.0456 -3.6600 -3.6583 -2.4221 -2.4166 -2.1091 -2.1031 -0.9279 -0.9261 -0.5878 -0.5839 0.0480 0.0503 1.1720 1.1744 1.4202 1.4269 2.2556 2.2629 2.6792 2.6849 8.5139 8.5192 9.1125 9.1149 9.4582 9.4613 9.8913 9.9003 k = 0.3472-0.0125-0.0837 ( 4228 PWs) bands (ev): -25.3484 -25.3484 -19.9762 -19.9761 -19.0488 -19.0485 -15.5158 -15.5153 -9.5902 -9.5845 -9.0396 -9.0210 -8.7992 -8.7866 -8.7628 -8.7545 -8.0420 -8.0338 -6.0371 -6.0359 -3.6593 -3.6577 -2.4308 -2.4257 -2.1093 -2.1038 -0.9362 -0.9346 -0.5893 -0.5856 0.0497 0.0518 1.1723 1.1746 1.4128 1.4191 2.2448 2.2517 2.6781 2.6835 8.5383 8.5433 9.1276 9.1299 9.4576 9.4599 9.9276 9.9361 k = 0.3611-0.0130-0.0870 ( 4226 PWs) bands (ev): -25.3483 -25.3483 -19.9715 -19.9714 -19.0522 -19.0519 -15.5226 -15.5222 -9.5857 -9.5802 -9.0388 -9.0210 -8.7983 -8.7866 -8.7627 -8.7547 -8.0391 -8.0315 -6.0278 -6.0266 -3.6587 -3.6572 -2.4387 -2.4341 -2.1095 -2.1043 -0.9442 -0.9427 -0.5912 -0.5877 0.0518 0.0537 1.1724 1.1746 1.4059 1.4118 2.2351 2.2415 2.6772 2.6821 8.5564 8.5610 9.1470 9.1492 9.4572 9.4588 9.9647 9.9729 k = 0.3750-0.0135-0.0904 ( 4226 PWs) bands (ev): -25.3482 -25.3482 -19.9671 -19.9670 -19.0554 -19.0551 -15.5290 -15.5286 -9.5816 -9.5764 -9.0378 -9.0211 -8.7973 -8.7866 -8.7626 -8.7550 -8.0363 -8.0294 -6.0191 -6.0180 -3.6583 -3.6569 -2.4459 -2.4417 -2.1095 -2.1048 -0.9518 -0.9504 -0.5933 -0.5901 0.0542 0.0560 1.1724 1.1744 1.3995 1.4050 2.2263 2.2322 2.6763 2.6808 8.5691 8.5733 9.1693 9.1715 9.4569 9.4580 10.0025 10.0102 k = 0.3889-0.0140-0.0937 ( 4230 PWs) bands (ev): -25.3481 -25.3481 -19.9630 -19.9629 -19.0583 -19.0581 -15.5348 -15.5344 -9.5779 -9.5730 -9.0368 -9.0213 -8.7963 -8.7867 -8.7624 -8.7553 -8.0338 -8.0275 -6.0111 -6.0101 -3.6580 -3.6567 -2.4523 -2.4485 -2.1095 -2.1053 -0.9590 -0.9577 -0.5955 -0.5926 0.0568 0.0583 1.1722 1.1741 1.3937 1.3987 2.2185 2.2239 2.6755 2.6796 8.5774 8.5811 9.1933 9.1956 9.4567 9.4577 10.0409 10.0481 k = 0.4028-0.0145-0.0971 ( 4230 PWs) bands (ev): -25.3480 -25.3480 -19.9593 -19.9592 -19.0610 -19.0608 -15.5400 -15.5397 -9.5745 -9.5701 -9.0356 -9.0216 -8.7953 -8.7867 -8.7622 -8.7556 -8.0315 -8.0259 -6.0038 -6.0029 -3.6577 -3.6566 -2.4580 -2.4546 -2.1094 -2.1057 -0.9655 -0.9644 -0.5977 -0.5951 0.0594 0.0608 1.1720 1.1736 1.3885 1.3930 2.2117 2.2165 2.6748 2.6785 8.5823 8.5854 9.2175 9.2199 9.4565 9.4578 10.0794 10.0861 k = 0.4167-0.0150-0.1004 ( 4230 PWs) bands (ev): -25.3479 -25.3479 -19.9560 -19.9559 -19.0634 -19.0632 -15.5446 -15.5443 -9.5715 -9.5676 -9.0345 -9.0220 -8.7943 -8.7868 -8.7620 -8.7561 -8.0294 -8.0246 -5.9973 -5.9965 -3.6575 -3.6565 -2.4628 -2.4599 -2.1092 -2.1060 -0.9714 -0.9705 -0.5997 -0.5975 0.0619 0.0631 1.1717 1.1731 1.3840 1.3879 2.2059 2.2100 2.6743 2.6774 8.5847 8.5874 9.2407 9.2431 9.4565 9.4583 10.1175 10.1236 k = 0.4306-0.0155-0.1037 ( 4231 PWs) bands (ev): -25.3479 -25.3479 -19.9532 -19.9531 -19.0655 -19.0653 -15.5486 -15.5483 -9.5689 -9.5655 -9.0332 -9.0226 -8.7934 -8.7869 -8.7616 -8.7565 -8.0276 -8.0235 -5.9917 -5.9910 -3.6574 -3.6565 -2.4669 -2.4644 -2.1090 -2.1063 -0.9766 -0.9758 -0.6016 -0.5997 0.0643 0.0652 1.1714 1.1726 1.3803 1.3836 2.2010 2.2045 2.6738 2.6765 8.5856 8.5878 9.2616 9.2641 9.4569 9.4589 10.1544 10.1599 k = 0.4444-0.0160-0.1071 ( 4230 PWs) bands (ev): -25.3478 -25.3478 -19.9508 -19.9507 -19.0672 -19.0671 -15.5518 -15.5516 -9.5667 -9.5639 -9.0320 -9.0233 -8.7924 -8.7871 -8.7613 -8.7570 -8.0260 -8.0227 -5.9870 -5.9865 -3.6573 -3.6566 -2.4701 -2.4682 -2.1088 -2.1066 -0.9809 -0.9803 -0.6032 -0.6017 0.0664 0.0671 1.1711 1.1721 1.3772 1.3799 2.1971 2.2000 2.6735 2.6756 8.5856 8.5873 9.2797 9.2821 9.4575 9.4596 10.1891 10.1937 k = 0.4583-0.0165-0.1104 ( 4230 PWs) bands (ev): -25.3478 -25.3478 -19.9489 -19.9489 -19.0686 -19.0685 -15.5544 -15.5542 -9.5649 -9.5628 -9.0307 -9.0240 -8.7915 -8.7875 -8.7608 -8.7575 -8.0246 -8.0222 -5.9833 -5.9829 -3.6572 -3.6567 -2.4726 -2.4711 -2.1085 -2.1069 -0.9843 -0.9838 -0.6044 -0.6033 0.0681 0.0687 1.1709 1.1716 1.3749 1.3770 2.1942 2.1963 2.6733 2.6749 8.5851 8.5865 9.2942 9.2963 9.4584 9.4603 10.2198 10.2235 k = 0.4722-0.0170-0.1138 ( 4229 PWs) bands (ev): -25.3478 -25.3478 -19.9475 -19.9475 -19.0695 -19.0695 -15.5562 -15.5561 -9.5635 -9.5620 -9.0294 -9.0250 -8.7906 -8.7879 -8.7603 -8.7581 -8.0236 -8.0219 -5.9806 -5.9803 -3.6571 -3.6568 -2.4743 -2.4733 -2.1082 -2.1071 -0.9868 -0.9865 -0.6053 -0.6045 0.0694 0.0698 1.1707 1.1712 1.3734 1.3748 2.1922 2.1936 2.6732 2.6743 8.5846 8.5855 9.3049 9.3064 9.4594 9.4608 10.2445 10.2472 k = 0.4861-0.0175-0.1171 ( 4231 PWs) bands (ev): -25.3477 -25.3477 -19.9467 -19.9467 -19.0701 -19.0701 -15.5573 -15.5572 -9.5625 -9.5618 -9.0282 -9.0260 -8.7898 -8.7884 -8.7598 -8.7587 -8.0227 -8.0219 -5.9789 -5.9788 -3.6570 -3.6568 -2.4752 -2.4748 -2.1080 -2.1074 -0.9883 -0.9881 -0.6058 -0.6054 0.0702 0.0704 1.1707 1.1709 1.3726 1.3733 2.1911 2.1919 2.6733 2.6738 8.5843 8.5848 9.3115 9.3123 9.4602 9.4610 10.2610 10.2624 k = 0.5000-0.0180-0.1205 ( 4232 PWs) bands (ev): -25.3477 -25.3477 -19.9464 -19.9464 -19.0703 -19.0703 -15.5576 -15.5576 -9.5619 -9.5619 -9.0271 -9.0271 -8.7891 -8.7891 -8.7592 -8.7592 -8.0222 -8.0222 -5.9783 -5.9783 -3.6569 -3.6569 -2.4754 -2.4754 -2.1077 -2.1077 -0.9887 -0.9887 -0.6058 -0.6058 0.0706 0.0706 1.1708 1.1708 1.3726 1.3726 2.1910 2.1910 2.6735 2.6735 8.5844 8.5844 9.3140 9.3140 9.4608 9.4608 10.2673 10.2673 k = 0.5000-0.0180 0.2880 ( 4212 PWs) bands (ev): -25.3477 -25.3477 -19.9442 -19.9442 -19.0709 -19.0709 -15.5602 -15.5602 -9.6044 -9.6044 -9.0215 -9.0215 -8.8049 -8.8049 -8.7365 -8.7365 -8.0492 -8.0492 -5.9711 -5.9711 -3.2681 -3.2681 -2.4954 -2.4954 -2.1548 -2.1548 -1.0741 -1.0741 -0.7231 -0.7231 -0.0323 -0.0323 0.9246 0.9246 1.3890 1.3890 2.3836 2.3836 2.7626 2.7626 8.5486 8.5486 9.0577 9.0577 9.4116 9.4116 10.3294 10.3294 k = 0.4875-0.0176 0.2808 ( 4213 PWs) bands (ev): -25.3477 -25.3477 -19.9445 -19.9444 -19.0707 -19.0707 -15.5599 -15.5599 -9.6045 -9.6041 -9.0224 -9.0208 -8.8065 -8.8035 -8.7372 -8.7361 -8.0498 -8.0487 -5.9717 -5.9715 -3.2686 -3.2685 -2.4953 -2.4949 -2.1549 -2.1544 -1.0736 -1.0733 -0.7230 -0.7229 -0.0326 -0.0325 0.9245 0.9250 1.3891 1.3896 2.3836 2.3842 2.7623 2.7627 8.5490 8.5492 9.0569 9.0570 9.4119 9.4121 10.3243 10.3252 k = 0.4750-0.0171 0.2736 ( 4216 PWs) bands (ev): -25.3477 -25.3477 -19.9451 -19.9451 -19.0702 -19.0702 -15.5591 -15.5590 -9.6045 -9.6037 -9.0235 -9.0203 -8.8083 -8.8022 -8.7382 -8.7359 -8.0505 -8.0484 -5.9731 -5.9729 -3.2700 -3.2698 -2.4945 -2.4936 -2.1547 -2.1537 -1.0718 -1.0711 -0.7224 -0.7223 -0.0332 -0.0330 0.9248 0.9259 1.3899 1.3909 2.3840 2.3852 2.7618 2.7626 8.5506 8.5509 9.0546 9.0548 9.4132 9.4135 10.3101 10.3117 k = 0.4625-0.0167 0.2664 ( 4221 PWs) bands (ev): -25.3477 -25.3477 -19.9463 -19.9462 -19.0695 -19.0694 -15.5576 -15.5574 -9.6044 -9.6032 -9.0248 -9.0201 -8.8102 -8.8011 -8.7394 -8.7360 -8.0513 -8.0482 -5.9754 -5.9751 -3.2723 -3.2720 -2.4929 -2.4917 -2.1543 -2.1527 -1.0686 -1.0677 -0.7215 -0.7213 -0.0343 -0.0339 0.9256 0.9272 1.3914 1.3929 2.3850 2.3867 2.7611 2.7623 8.5532 8.5537 9.0507 9.0511 9.4153 9.4159 10.2870 10.2893 k = 0.4500-0.0162 0.2592 ( 4229 PWs) bands (ev): -25.3478 -25.3478 -19.9479 -19.9478 -19.0683 -19.0682 -15.5555 -15.5553 -9.6041 -9.6025 -9.0263 -9.0201 -8.8123 -8.8001 -8.7408 -8.7363 -8.0523 -8.0482 -5.9787 -5.9782 -3.2755 -3.2751 -2.4907 -2.4890 -2.1535 -2.1515 -1.0643 -1.0630 -0.7202 -0.7199 -0.0356 -0.0351 0.9268 0.9289 1.3936 1.3955 2.3864 2.3887 2.7601 2.7618 8.5568 8.5575 9.0454 9.0459 9.4185 9.4192 10.2556 10.2582 k = 0.4375-0.0158 0.2520 ( 4233 PWs) bands (ev): -25.3478 -25.3478 -19.9498 -19.9498 -19.0669 -19.0668 -15.5528 -15.5526 -9.6038 -9.6018 -9.0280 -9.0202 -8.8145 -8.7993 -8.7423 -8.7369 -8.0533 -8.0483 -5.9827 -5.9821 -3.2796 -3.2791 -2.4878 -2.4856 -2.1526 -2.1500 -1.0587 -1.0571 -0.7184 -0.7180 -0.0373 -0.0367 0.9284 0.9310 1.3964 1.3988 2.3884 2.3912 2.7590 2.7611 8.5614 8.5622 9.0386 9.0393 9.4225 9.4234 10.2162 10.2192 k = 0.4250-0.0153 0.2448 ( 4235 PWs) bands (ev): -25.3479 -25.3479 -19.9522 -19.9521 -19.0652 -19.0650 -15.5496 -15.5493 -9.6034 -9.6011 -9.0299 -9.0206 -8.8168 -8.7986 -8.7440 -8.7377 -8.0545 -8.0485 -5.9876 -5.9869 -3.2847 -3.2840 -2.4842 -2.4816 -2.1514 -2.1483 -1.0520 -1.0501 -0.7161 -0.7157 -0.0393 -0.0385 0.9305 0.9336 1.3998 1.4026 2.3907 2.3941 2.7577 2.7602 8.5668 8.5678 9.0303 9.0312 9.4276 9.4287 10.1698 10.1728 k = 0.4125-0.0149 0.2376 ( 4233 PWs) bands (ev): -25.3479 -25.3479 -19.9550 -19.9549 -19.0632 -19.0630 -15.5458 -15.5454 -9.6030 -9.6004 -9.0319 -9.0212 -8.8193 -8.7981 -8.7457 -8.7387 -8.0558 -8.0488 -5.9932 -5.9924 -3.2907 -3.2899 -2.4799 -2.4769 -2.1499 -2.1464 -1.0442 -1.0421 -0.7133 -0.7129 -0.0415 -0.0406 0.9330 0.9366 1.4038 1.4070 2.3935 2.3975 2.7563 2.7592 8.5729 8.5740 9.0207 9.0218 9.4336 9.4349 10.1171 10.1202 k = 0.4000-0.0144 0.2304 ( 4234 PWs) bands (ev): -25.3480 -25.3480 -19.9581 -19.9580 -19.0610 -19.0607 -15.5414 -15.5411 -9.6026 -9.5997 -9.0340 -9.0219 -8.8218 -8.7976 -8.7474 -8.7398 -8.0572 -8.0493 -5.9995 -5.9986 -3.2977 -3.2968 -2.4749 -2.4715 -2.1483 -2.1443 -1.0356 -1.0332 -0.7099 -0.7095 -0.0438 -0.0428 0.9360 0.9400 1.4083 1.4119 2.3967 2.4012 2.7547 2.7581 8.5795 8.5808 9.0097 9.0110 9.4405 9.4420 10.0592 10.0623 k = 0.3875-0.0140 0.2232 ( 4233 PWs) bands (ev): -25.3481 -25.3481 -19.9616 -19.9615 -19.0585 -19.0582 -15.5366 -15.5362 -9.6023 -9.5991 -9.0363 -9.0228 -8.8243 -8.7973 -8.7491 -8.7410 -8.0587 -8.0500 -6.0065 -6.0055 -3.3056 -3.3046 -2.4693 -2.4654 -2.1465 -2.1421 -1.0261 -1.0236 -0.7060 -0.7056 -0.0462 -0.0450 0.9395 0.9439 1.4132 1.4172 2.4003 2.4053 2.7530 2.7568 8.5864 8.5879 8.9974 8.9990 9.4481 9.4498 9.9972 10.0005 k = 0.3750-0.0135 0.2160 ( 4232 PWs) bands (ev): -25.3482 -25.3482 -19.9654 -19.9652 -19.0558 -19.0555 -15.5313 -15.5309 -9.6021 -9.5987 -9.0386 -9.0238 -8.8269 -8.7970 -8.7508 -8.7423 -8.0603 -8.0507 -6.0142 -6.0131 -3.3145 -3.3134 -2.4630 -2.4587 -2.1446 -2.1397 -1.0160 -1.0133 -0.7015 -0.7011 -0.0486 -0.0472 0.9435 0.9482 1.4186 1.4229 2.4042 2.4097 2.7512 2.7554 8.5934 8.5951 8.9839 8.9858 9.4562 9.4581 9.9325 9.9361 k = 0.3625-0.0131 0.2088 ( 4234 PWs) bands (ev): -25.3482 -25.3482 -19.9694 -19.9693 -19.0529 -19.0526 -15.5255 -15.5251 -9.6022 -9.5985 -9.0410 -9.0249 -8.8294 -8.7968 -8.7524 -8.7436 -8.0621 -8.0517 -6.0223 -6.0212 -3.3243 -3.3231 -2.4560 -2.4514 -2.1425 -2.1372 -1.0053 -1.0025 -0.6965 -0.6960 -0.0508 -0.0493 0.9479 0.9530 1.4242 1.4290 2.4085 2.4145 2.7494 2.7540 8.5999 8.6018 8.9692 8.9714 9.4644 9.4666 9.8666 9.8708 k = 0.3500-0.0126 0.2016 ( 4237 PWs) bands (ev): -25.3484 -25.3484 -19.9737 -19.9736 -19.0498 -19.0495 -15.5194 -15.5189 -9.6024 -9.5986 -9.0434 -9.0261 -8.8318 -8.7967 -8.7540 -8.7449 -8.0639 -8.0527 -6.0310 -6.0298 -3.3351 -3.3339 -2.4484 -2.4434 -2.1403 -2.1346 -0.9943 -0.9913 -0.6910 -0.6904 -0.0528 -0.0512 0.9528 0.9583 1.4302 1.4352 2.4131 2.4195 2.7476 2.7526 8.6053 8.6075 8.9534 8.9559 9.4721 9.4747 9.8014 9.8066 k = 0.3375-0.0122 0.1944 ( 4238 PWs) bands (ev): -25.3485 -25.3485 -19.9782 -19.9781 -19.0466 -19.0463 -15.5128 -15.5123 -9.6029 -9.5991 -9.0457 -9.0272 -8.8341 -8.7965 -8.7554 -8.7461 -8.0658 -8.0539 -6.0401 -6.0388 -3.3469 -3.3455 -2.4401 -2.4347 -2.1380 -2.1319 -0.9830 -0.9800 -0.6851 -0.6843 -0.0543 -0.0526 0.9582 0.9640 1.4364 1.4417 2.4179 2.4248 2.7457 2.7511 8.6090 8.6114 8.9368 8.9396 9.4783 9.4814 9.7395 9.7458 k = 0.3250-0.0117 0.1872 ( 4243 PWs) bands (ev): -25.3486 -25.3486 -19.9829 -19.9827 -19.0433 -19.0430 -15.5059 -15.5054 -9.6039 -9.5999 -9.0480 -9.0284 -8.8363 -8.7963 -8.7568 -8.7473 -8.0677 -8.0553 -6.0495 -6.0482 -3.3596 -3.3581 -2.4313 -2.4255 -2.1356 -2.1291 -0.9716 -0.9685 -0.6788 -0.6778 -0.0554 -0.0535 0.9641 0.9701 1.4428 1.4483 2.4230 2.4303 2.7439 2.7497 8.6095 8.6122 8.9198 8.9229 9.4809 9.4847 9.6841 9.6917 k = 0.3125-0.0113 0.1800 ( 4242 PWs) bands (ev): -25.3487 -25.3487 -19.9877 -19.9876 -19.0399 -19.0396 -15.4987 -15.4981 -9.6052 -9.6012 -9.0502 -9.0294 -8.8382 -8.7961 -8.7580 -8.7485 -8.0698 -8.0567 -6.0592 -6.0579 -3.3731 -3.3716 -2.4218 -2.4157 -2.1332 -2.1263 -0.9602 -0.9571 -0.6724 -0.6712 -0.0557 -0.0536 0.9704 0.9767 1.4493 1.4551 2.4284 2.4361 2.7421 2.7483 8.6053 8.6084 8.9035 8.9068 9.4766 9.4808 9.6405 9.6491 k = 0.3000-0.0108 0.1728 ( 4244 PWs) bands (ev): -25.3488 -25.3488 -19.9927 -19.9925 -19.0365 -19.0361 -15.4912 -15.4907 -9.6069 -9.6030 -9.0522 -9.0303 -8.8398 -8.7957 -8.7592 -8.7495 -8.0719 -8.0583 -6.0691 -6.0678 -3.3875 -3.3859 -2.4118 -2.4054 -2.1307 -2.1234 -0.9489 -0.9458 -0.6659 -0.6644 -0.0552 -0.0530 0.9772 0.9836 1.4558 1.4618 2.4339 2.4419 2.7404 2.7469 8.5944 8.5978 8.8893 8.8926 9.4620 9.4656 9.6140 9.6225 k = 0.2875-0.0104 0.1656 ( 4250 PWs) bands (ev): -25.3489 -25.3489 -19.9977 -19.9975 -19.0330 -19.0326 -15.4836 -15.4830 -9.6092 -9.6053 -9.0541 -9.0311 -8.8412 -8.7953 -8.7603 -8.7504 -8.0741 -8.0600 -6.0792 -6.0778 -3.4026 -3.4010 -2.4013 -2.3945 -2.1281 -2.1206 -0.9377 -0.9347 -0.6597 -0.6579 -0.0537 -0.0513 0.9843 0.9909 1.4623 1.4685 2.4396 2.4480 2.7388 2.7456 8.5744 8.5782 8.8788 8.8820 9.4377 9.4404 9.6046 9.6119 k = 0.2750-0.0099 0.1584 ( 4242 PWs) bands (ev): -25.3491 -25.3491 -20.0027 -20.0026 -19.0294 -19.0290 -15.4757 -15.4751 -9.6119 -9.6081 -9.0556 -9.0317 -8.8422 -8.7947 -8.7613 -8.7512 -8.0763 -8.0619 -6.0893 -6.0879 -3.4184 -3.4167 -2.3902 -2.3832 -2.1255 -2.1177 -0.9268 -0.9238 -0.6537 -0.6516 -0.0511 -0.0486 0.9919 0.9986 1.4689 1.4752 2.4455 2.4541 2.7373 2.7445 8.5443 8.5484 8.8735 8.8765 9.4093 9.4119 9.6060 9.6121 k = 0.2625-0.0095 0.1512 ( 4241 PWs) bands (ev): -25.3492 -25.3492 -20.0078 -20.0077 -19.0259 -19.0255 -15.4677 -15.4671 -9.6152 -9.6115 -9.0569 -9.0320 -8.8428 -8.7940 -8.7622 -8.7519 -8.0786 -8.0638 -6.0995 -6.0981 -3.4348 -3.4331 -2.3787 -2.3714 -2.1230 -2.1149 -0.9162 -0.9133 -0.6484 -0.6460 -0.0472 -0.0446 0.9998 1.0066 1.4753 1.4817 2.4516 2.4604 2.7360 2.7434 8.5038 8.5082 8.8737 8.8763 9.3820 9.3852 9.6129 9.6181 k = 0.2500-0.0090 0.1440 ( 4234 PWs) bands (ev): -25.3493 -25.3493 -20.0129 -20.0127 -19.0224 -19.0220 -15.4597 -15.4590 -9.6189 -9.6153 -9.0579 -9.0321 -8.8431 -8.7931 -8.7631 -8.7525 -8.0809 -8.0659 -6.1095 -6.1082 -3.4517 -3.4499 -2.3669 -2.3593 -2.1204 -2.1121 -0.9059 -0.9030 -0.6438 -0.6411 -0.0421 -0.0394 1.0080 1.0149 1.4816 1.4881 2.4578 2.4667 2.7349 2.7425 8.4543 8.4588 8.8789 8.8812 9.3584 9.3622 9.6225 9.6271 k = 0.2375-0.0086 0.1368 ( 4235 PWs) bands (ev): -25.3494 -25.3494 -20.0179 -20.0177 -19.0189 -19.0185 -15.4516 -15.4510 -9.6232 -9.6198 -9.0585 -9.0320 -8.8429 -8.7922 -8.7638 -8.7530 -8.0832 -8.0680 -6.1195 -6.1182 -3.4689 -3.4672 -2.3547 -2.3468 -2.1179 -2.1093 -0.8959 -0.8931 -0.6401 -0.6371 -0.0357 -0.0328 1.0165 1.0234 1.4878 1.4943 2.4640 2.4730 2.7340 2.7418 8.3976 8.4021 8.8883 8.8904 9.3392 9.3435 9.6335 9.6378 k = 0.2250-0.0081 0.1296 ( 4237 PWs) bands (ev): -25.3496 -25.3496 -20.0228 -20.0227 -19.0155 -19.0151 -15.4435 -15.4429 -9.6279 -9.6246 -9.0589 -9.0318 -8.8424 -8.7911 -8.7645 -8.7534 -8.0855 -8.0702 -6.1293 -6.1280 -3.4864 -3.4847 -2.3422 -2.3341 -2.1154 -2.1066 -0.8863 -0.8835 -0.6374 -0.6342 -0.0280 -0.0251 1.0253 1.0322 1.4937 1.5002 2.4704 2.4794 2.7333 2.7412 8.3357 8.3400 8.9010 8.9029 9.3241 9.3288 9.6453 9.6494 k = 0.2125-0.0077 0.1224 ( 4238 PWs) bands (ev): -25.3497 -25.3497 -20.0277 -20.0275 -19.0122 -19.0118 -15.4355 -15.4349 -9.6331 -9.6299 -9.0588 -9.0313 -8.8415 -8.7899 -8.7650 -8.7537 -8.0878 -8.0725 -6.1389 -6.1376 -3.5041 -3.5023 -2.3296 -2.3213 -2.1130 -2.1040 -0.8770 -0.8743 -0.6358 -0.6324 -0.0191 -0.0162 1.0342 1.0410 1.4995 1.5059 2.4768 2.4857 2.7329 2.7408 8.2703 8.2745 8.9165 8.9181 9.3125 9.3174 9.6576 9.6617 k = 0.2000-0.0072 0.1152 ( 4236 PWs) bands (ev): -25.3498 -25.3498 -20.0324 -20.0322 -19.0090 -19.0086 -15.4277 -15.4271 -9.6386 -9.6356 -9.0585 -9.0307 -8.8401 -8.7887 -8.7654 -8.7540 -8.0901 -8.0749 -6.1482 -6.1469 -3.5217 -3.5199 -2.3168 -2.3083 -2.1106 -2.1015 -0.8681 -0.8654 -0.6352 -0.6316 -0.0092 -0.0062 1.0433 1.0500 1.5049 1.5113 2.4832 2.4920 2.7326 2.7405 8.2031 8.2071 8.9341 8.9355 9.3038 9.3088 9.6703 9.6744 k = 0.1875-0.0068 0.1080 ( 4235 PWs) bands (ev): -25.3499 -25.3499 -20.0369 -20.0367 -19.0059 -19.0055 -15.4200 -15.4194 -9.6444 -9.6415 -9.0578 -9.0300 -8.8383 -8.7874 -8.7657 -8.7542 -8.0923 -8.0773 -6.1571 -6.1559 -3.5391 -3.5374 -2.3041 -2.2954 -2.1084 -2.0991 -0.8596 -0.8569 -0.6357 -0.6319 0.0015 0.0045 1.0524 1.0589 1.5101 1.5164 2.4896 2.4982 2.7327 2.7405 8.1353 8.1391 8.9534 8.9547 9.2973 9.3024 9.6832 9.6874 k = 0.1750-0.0063 0.1008 ( 4236 PWs) bands (ev): -25.3500 -25.3500 -20.0413 -20.0411 -19.0029 -19.0026 -15.4125 -15.4120 -9.6503 -9.6476 -9.0568 -9.0293 -8.8362 -8.7862 -8.7659 -8.7543 -8.0944 -8.0797 -6.1657 -6.1646 -3.5563 -3.5546 -2.2914 -2.2826 -2.1062 -2.0969 -0.8515 -0.8488 -0.6370 -0.6332 0.0129 0.0159 1.0615 1.0678 1.5151 1.5211 2.4959 2.5043 2.7329 2.7406 8.0680 8.0716 8.9743 8.9754 9.2924 9.2974 9.6964 9.7008 k = 0.1625-0.0059 0.0936 ( 4239 PWs) bands (ev): -25.3501 -25.3501 -20.0454 -20.0453 -19.0001 -18.9998 -15.4053 -15.4048 -9.6564 -9.6538 -9.0556 -9.0286 -8.8337 -8.7851 -8.7658 -8.7544 -8.0965 -8.0822 -6.1739 -6.1728 -3.5730 -3.5714 -2.2790 -2.2701 -2.1042 -2.0948 -0.8438 -0.8412 -0.6392 -0.6353 0.0248 0.0277 1.0706 1.0767 1.5197 1.5255 2.5021 2.5102 2.7334 2.7409 8.0021 8.0054 8.9962 8.9973 9.2887 9.2936 9.7099 9.7144 k = 0.1500-0.0054 0.0864 ( 4236 PWs) bands (ev): -25.3502 -25.3502 -20.0493 -20.0492 -18.9975 -18.9972 -15.3984 -15.3979 -9.6625 -9.6601 -9.0541 -9.0279 -8.8309 -8.7842 -8.7656 -8.7544 -8.0984 -8.0847 -6.1816 -6.1805 -3.5891 -3.5876 -2.2668 -2.2579 -2.1022 -2.0928 -0.8366 -0.8340 -0.6421 -0.6381 0.0368 0.0396 1.0795 1.0853 1.5239 1.5295 2.5082 2.5159 2.7341 2.7414 7.9384 7.9415 9.0190 9.0201 9.2858 9.2905 9.7235 9.7284 k = 0.1375-0.0050 0.0792 ( 4237 PWs) bands (ev): -25.3504 -25.3504 -20.0530 -20.0529 -18.9950 -18.9947 -15.3919 -15.3914 -9.6685 -9.6663 -9.0525 -9.0273 -8.8279 -8.7835 -8.7652 -8.7544 -8.1002 -8.0871 -6.1888 -6.1878 -3.6046 -3.6031 -2.2550 -2.2461 -2.1004 -2.0910 -0.8299 -0.8273 -0.6454 -0.6414 0.0488 0.0515 1.0881 1.0936 1.5279 1.5332 2.5140 2.5214 2.7351 2.7419 7.8776 7.8805 9.0424 9.0435 9.2835 9.2879 9.7375 9.7425 k = 0.1250-0.0045 0.0720 ( 4236 PWs) bands (ev): -25.3504 -25.3504 -20.0565 -20.0564 -18.9927 -18.9924 -15.3858 -15.3854 -9.6743 -9.6723 -9.0507 -9.0268 -8.8246 -8.7830 -8.7646 -8.7544 -8.1019 -8.0895 -6.1954 -6.1945 -3.6191 -3.6177 -2.2437 -2.2349 -2.0986 -2.0895 -0.8237 -0.8211 -0.6490 -0.6450 0.0604 0.0630 1.0964 1.1016 1.5315 1.5365 2.5197 2.5265 2.7362 2.7427 7.8203 7.8229 9.0659 9.0672 9.2815 9.2857 9.7516 9.7569 k = 0.1125-0.0041 0.0648 ( 4235 PWs) bands (ev): -25.3505 -25.3505 -20.0596 -20.0595 -18.9906 -18.9903 -15.3801 -15.3797 -9.6799 -9.6780 -9.0488 -9.0264 -8.8212 -8.7829 -8.7638 -8.7543 -8.1034 -8.0918 -6.2015 -6.2007 -3.6327 -3.6314 -2.2330 -2.2244 -2.0970 -2.0881 -0.8181 -0.8155 -0.6528 -0.6489 0.0716 0.0740 1.1044 1.1091 1.5348 1.5394 2.5250 2.5312 2.7375 2.7434 7.7669 7.7692 9.0893 9.0907 9.2799 9.2838 9.7660 9.7716 k = 0.1000-0.0036 0.0576 ( 4235 PWs) bands (ev): -25.3506 -25.3506 -20.0625 -20.0624 -18.9887 -18.9885 -15.3750 -15.3746 -9.6851 -9.6834 -9.0468 -9.0263 -8.8177 -8.7830 -8.7629 -8.7542 -8.1047 -8.0941 -6.2071 -6.2063 -3.6452 -3.6440 -2.2230 -2.2147 -2.0955 -2.0869 -0.8130 -0.8105 -0.6565 -0.6528 0.0822 0.0844 1.1118 1.1161 1.5378 1.5420 2.5299 2.5356 2.7388 2.7443 7.7180 7.7200 9.1120 9.1137 9.2785 9.2821 9.7806 9.7864 k = 0.0875-0.0032 0.0504 ( 4232 PWs) bands (ev): -25.3507 -25.3507 -20.0650 -20.0650 -18.9870 -18.9868 -15.3703 -15.3700 -9.6899 -9.6884 -9.0447 -9.0263 -8.8141 -8.7833 -8.7620 -8.7542 -8.1058 -8.0963 -6.2120 -6.2113 -3.6565 -3.6554 -2.2138 -2.2060 -2.0940 -2.0859 -0.8085 -0.8061 -0.6601 -0.6566 0.0919 0.0938 1.1186 1.1225 1.5404 1.5441 2.5344 2.5395 2.7403 2.7451 7.6739 7.6757 9.1336 9.1355 9.2775 9.2809 9.7954 9.8013 k = 0.0750-0.0027 0.0432 ( 4227 PWs) bands (ev): -25.3507 -25.3507 -20.0673 -20.0672 -18.9855 -18.9853 -15.3662 -15.3659 -9.6942 -9.6929 -9.0427 -9.0265 -8.8106 -8.7840 -8.7609 -8.7541 -8.1067 -8.0983 -6.2162 -6.2157 -3.6665 -3.6656 -2.2055 -2.1983 -2.0926 -2.0852 -0.8046 -0.8024 -0.6633 -0.6601 0.1006 0.1023 1.1248 1.1281 1.5428 1.5460 2.5385 2.5429 2.7417 2.7460 7.6349 7.6365 9.1534 9.1556 9.2769 9.2802 9.8103 9.8163 k = 0.0625-0.0023 0.0360 ( 4227 PWs) bands (ev): -25.3508 -25.3508 -20.0692 -20.0691 -18.9842 -18.9840 -15.3627 -15.3624 -9.6979 -9.6969 -9.0407 -9.0269 -8.8072 -8.7848 -8.7599 -8.7542 -8.1073 -8.1002 -6.2199 -6.2194 -3.6750 -3.6743 -2.1982 -2.1918 -2.0913 -2.0847 -0.8013 -0.7993 -0.6662 -0.6633 0.1081 0.1096 1.1302 1.1330 1.5447 1.5475 2.5421 2.5458 2.7431 2.7467 7.6014 7.6027 9.1709 9.1734 9.2770 9.2801 9.8253 9.8314 k = 0.0500-0.0018 0.0288 ( 4226 PWs) bands (ev): -25.3508 -25.3508 -20.0707 -20.0707 -18.9831 -18.9830 -15.3597 -15.3595 -9.7010 -9.7002 -9.0387 -9.0275 -8.8039 -8.7859 -8.7590 -8.7543 -8.1077 -8.1019 -6.2229 -6.2225 -3.6822 -3.6815 -2.1919 -2.1865 -2.0900 -2.0844 -0.7986 -0.7969 -0.6685 -0.6661 0.1145 0.1157 1.1348 1.1371 1.5464 1.5486 2.5451 2.5481 2.7444 2.7473 7.5737 7.5748 9.1856 9.1882 9.2777 9.2807 9.8404 9.8463 k = 0.0375-0.0014 0.0216 ( 4227 PWs) bands (ev): -25.3509 -25.3509 -20.0720 -20.0719 -18.9823 -18.9822 -15.3574 -15.3573 -9.7035 -9.7028 -9.0369 -9.0284 -8.8009 -8.7873 -8.7580 -8.7545 -8.1078 -8.1034 -6.2252 -6.2249 -3.6877 -3.6873 -2.1868 -2.1825 -2.0888 -2.0844 -0.7964 -0.7951 -0.6703 -0.6684 0.1196 0.1205 1.1385 1.1402 1.5478 1.5495 2.5476 2.5498 2.7455 2.7478 7.5520 7.5528 9.1971 9.1994 9.2792 9.2818 9.8550 9.8604 k = 0.0250-0.0009 0.0144 ( 4224 PWs) bands (ev): -25.3509 -25.3509 -20.0728 -20.0728 -18.9817 -18.9817 -15.3558 -15.3557 -9.7052 -9.7048 -9.0351 -9.0294 -8.7980 -8.7889 -8.7572 -8.7548 -8.1077 -8.1047 -6.2269 -6.2267 -3.6917 -3.6914 -2.1828 -2.1799 -2.0877 -2.0847 -0.7949 -0.7939 -0.6714 -0.6702 0.1233 0.1239 1.1412 1.1424 1.5488 1.5500 2.5495 2.5510 2.7465 2.7480 7.5364 7.5369 9.2052 9.2070 9.2811 9.2830 9.8684 9.8729 k = 0.0125-0.0005 0.0072 ( 4219 PWs) bands (ev): -25.3509 -25.3509 -20.0734 -20.0734 -18.9813 -18.9813 -15.3547 -15.3547 -9.7062 -9.7060 -9.0334 -9.0305 -8.7953 -8.7908 -8.7564 -8.7552 -8.1073 -8.1058 -6.2279 -6.2278 -3.6941 -3.6940 -2.1801 -2.1786 -2.0867 -2.0851 -0.7938 -0.7933 -0.6720 -0.6714 0.1256 0.1259 1.1430 1.1436 1.5496 1.5501 2.5508 2.5516 2.7473 2.7480 7.5270 7.5272 9.2101 9.2111 9.2828 9.2839 9.8790 9.8817 k = 0.0000 0.0000 0.0000 ( 4219 PWs) bands (ev): -25.3509 -25.3509 -20.0735 -20.0735 -18.9812 -18.9812 -15.3544 -15.3544 -9.7065 -9.7065 -9.0319 -9.0319 -8.7929 -8.7929 -8.7558 -8.7558 -8.1067 -8.1067 -6.2282 -6.2282 -3.6949 -3.6949 -2.1787 -2.1787 -2.0858 -2.0858 -0.7933 -0.7933 -0.6720 -0.6720 0.1264 0.1264 1.1438 1.1438 1.5500 1.5500 2.5515 2.5515 2.7478 2.7478 7.5239 7.5239 9.2121 9.2121 9.2839 9.2839 9.8840 9.8840 Writing output data file KPH2SO3.save init_run : 1.38s CPU 0.92s WALL ( 1 calls) electrons : 323.98s CPU 219.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 323.98s CPU 219.32s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.31s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.47s WALL ( 331 calls) cegterg : 289.16s CPU 199.13s WALL ( 581 calls) Called by sum_band: Called by *egterg: h_psi : 196.76s CPU 120.24s WALL ( 9600 calls) s_psi : 10.88s CPU 6.93s WALL ( 9600 calls) g_psi : 0.40s CPU 0.27s WALL ( 8688 calls) cdiaghg : 81.20s CPU 65.77s WALL ( 9019 calls) cegterg:over : 10.65s CPU 7.62s WALL ( 8688 calls) cegterg:upda : 9.06s CPU 6.81s WALL ( 8688 calls) cegterg:last : 4.54s CPU 3.56s WALL ( 1574 calls) cdiaghg:chol : 4.56s CPU 3.74s WALL ( 9019 calls) cdiaghg:inve : 2.83s CPU 2.26s WALL ( 9019 calls) cdiaghg:para : 4.78s CPU 3.84s WALL ( 18038 calls) Called by h_psi: h_psi:vloc : 171.16s CPU 102.93s WALL ( 9600 calls) h_psi:vnl : 25.23s CPU 17.04s WALL ( 9600 calls) add_vuspsi : 14.00s CPU 9.21s WALL ( 9600 calls) General routines calbec : 11.19s CPU 7.80s WALL ( 9600 calls) fft : 0.05s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 162.94s CPU 97.33s WALL ( 854628 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.46s CPU 0.87s WALL ( 662 calls) Parallel routines fft_scatter : 60.48s CPU 40.27s WALL ( 854651 calls) PWSCF : 5m42.23s CPU 4m12.48s WALL This run was terminated on: 3:20:15 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=