Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 11 3 1663 729 123 Max 20 12 4 1675 751 136 Sum 687 399 125 60065 26589 4591 bravais-lattice index = 14 lattice parameter (alat) = 6.0236 a.u. unit-cell volume = 610.8593 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 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)= 6.023592 celldm(2)= 1.000000 celldm(3)= 3.790374 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.675476 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.675476 0.737382 0.000000 ) a(3) = ( 0.000000 0.000000 3.790374 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.916047 -0.000000 ) b(2) = ( 0.000000 1.356150 -0.000000 ) b(3) = ( 0.000000 0.000000 0.263826 ) PseudoPot. # 1 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0040327 0.0091632 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0080655 0.0183264 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0120982 0.0274895 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0161310 0.0366527 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0201637 0.0458159 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0241964 0.0549790 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0282292 0.0641422 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0322619 0.0733054 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0362946 0.0824685 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0403274 0.0916317 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0443601 0.1007949 -0.0000000), wk = 0.0020661 k( 13) = ( 0.0483929 0.1099581 -0.0000000), wk = 0.0020661 k( 14) = ( 0.0524256 0.1191213 -0.0000000), wk = 0.0020661 k( 15) = ( 0.0564583 0.1282844 -0.0000000), wk = 0.0020661 k( 16) = ( 0.0604911 0.1374476 -0.0000000), wk = 0.0020661 k( 17) = ( 0.0645238 0.1466108 -0.0000000), wk = 0.0020661 k( 18) = ( 0.0685565 0.1557739 -0.0000000), wk = 0.0020661 k( 19) = ( 0.0725893 0.1649371 -0.0000000), wk = 0.0020661 k( 20) = ( 0.0766220 0.1741003 -0.0000000), wk = 0.0020661 k( 21) = ( 0.0806548 0.1832634 -0.0000000), wk = 0.0020661 k( 22) = ( 0.0846875 0.1924266 -0.0000000), wk = 0.0020661 k( 23) = ( 0.0887202 0.2015898 -0.0000000), wk = 0.0020661 k( 24) = ( 0.0927530 0.2107530 -0.0000000), wk = 0.0020661 k( 25) = ( 0.0967857 0.2199162 -0.0000000), wk = 0.0020661 k( 26) = ( 0.1008185 0.2290793 -0.0000000), wk = 0.0020661 k( 27) = ( 0.1048512 0.2382425 -0.0000000), wk = 0.0020661 k( 28) = ( 0.1088839 0.2474057 -0.0000000), wk = 0.0020661 k( 29) = ( 0.1129167 0.2565688 -0.0000000), wk = 0.0020661 k( 30) = ( 0.1169494 0.2657320 -0.0000000), wk = 0.0020661 k( 31) = ( 0.1209821 0.2748952 -0.0000000), wk = 0.0020661 k( 32) = ( 0.1250149 0.2840583 -0.0000000), wk = 0.0020661 k( 33) = ( 0.1290476 0.2932215 -0.0000000), wk = 0.0020661 k( 34) = ( 0.1330804 0.3023847 -0.0000000), wk = 0.0020661 k( 35) = ( 0.1371131 0.3115479 -0.0000000), wk = 0.0020661 k( 36) = ( 0.1411458 0.3207110 -0.0000000), wk = 0.0020661 k( 37) = ( 0.1451786 0.3298742 -0.0000000), wk = 0.0020661 k( 38) = ( 0.1492113 0.3390374 -0.0000000), wk = 0.0020661 k( 39) = ( 0.1532440 0.3482006 -0.0000000), wk = 0.0020661 k( 40) = ( 0.1572768 0.3573637 -0.0000000), wk = 0.0020661 k( 41) = ( 0.1613095 0.3665269 -0.0000000), wk = 0.0020661 k( 42) = ( 0.1653423 0.3756901 -0.0000000), wk = 0.0020661 k( 43) = ( 0.1693750 0.3848532 -0.0000000), wk = 0.0020661 k( 44) = ( 0.1734077 0.3940164 -0.0000000), wk = 0.0020661 k( 45) = ( 0.1774405 0.4031796 -0.0000000), wk = 0.0020661 k( 46) = ( 0.1814732 0.4123428 -0.0000000), wk = 0.0020661 k( 47) = ( 0.1855060 0.4215059 -0.0000000), wk = 0.0020661 k( 48) = ( 0.1895387 0.4306691 -0.0000000), wk = 0.0020661 k( 49) = ( 0.1935714 0.4398323 -0.0000000), wk = 0.0020661 k( 50) = ( 0.1976042 0.4489955 -0.0000000), wk = 0.0020661 k( 51) = ( 0.2016369 0.4581586 -0.0000000), wk = 0.0020661 k( 52) = ( 0.2056697 0.4673218 -0.0000000), wk = 0.0020661 k( 53) = ( 0.2097024 0.4764850 -0.0000000), wk = 0.0020661 k( 54) = ( 0.2137351 0.4856481 -0.0000000), wk = 0.0020661 k( 55) = ( 0.2177679 0.4948113 -0.0000000), wk = 0.0020661 k( 56) = ( 0.2218006 0.5039745 -0.0000000), wk = 0.0020661 k( 57) = ( 0.2258333 0.5131377 -0.0000000), wk = 0.0020661 k( 58) = ( 0.2298661 0.5223008 -0.0000000), wk = 0.0020661 k( 59) = ( 0.2338988 0.5314640 -0.0000000), wk = 0.0020661 k( 60) = ( 0.2379315 0.5406272 -0.0000000), wk = 0.0020661 k( 61) = ( 0.2419643 0.5497904 -0.0000000), wk = 0.0020661 k( 62) = ( 0.2459970 0.5589535 -0.0000000), wk = 0.0020661 k( 63) = ( 0.2500298 0.5681167 -0.0000000), wk = 0.0020661 k( 64) = ( 0.2540625 0.5772799 -0.0000000), wk = 0.0020661 k( 65) = ( 0.2580952 0.5864430 -0.0000000), wk = 0.0020661 k( 66) = ( 0.2621280 0.5956062 -0.0000000), wk = 0.0020661 k( 67) = ( 0.2661607 0.6047694 -0.0000000), wk = 0.0020661 k( 68) = ( 0.2701935 0.6139326 -0.0000000), wk = 0.0020661 k( 69) = ( 0.2742262 0.6230957 -0.0000000), wk = 0.0020661 k( 70) = ( 0.2782589 0.6322589 -0.0000000), wk = 0.0020661 k( 71) = ( 0.2822917 0.6414221 -0.0000000), wk = 0.0020661 k( 72) = ( 0.2863244 0.6505853 -0.0000000), wk = 0.0020661 k( 73) = ( 0.2903572 0.6597484 -0.0000000), wk = 0.0020661 k( 74) = ( 0.2943899 0.6689116 -0.0000000), wk = 0.0020661 k( 75) = ( 0.2984226 0.6780748 -0.0000000), wk = 0.0020661 k( 76) = ( 0.2984226 0.6780748 -0.0000000), wk = 0.0020661 k( 77) = ( 0.2884752 0.6780748 -0.0000000), wk = 0.0020661 k( 78) = ( 0.2785278 0.6780748 -0.0000000), wk = 0.0020661 k( 79) = ( 0.2685804 0.6780748 -0.0000000), wk = 0.0020661 k( 80) = ( 0.2586329 0.6780748 -0.0000000), wk = 0.0020661 k( 81) = ( 0.2486855 0.6780748 -0.0000000), wk = 0.0020661 k( 82) = ( 0.2387381 0.6780748 -0.0000000), wk = 0.0020661 k( 83) = ( 0.2287907 0.6780748 -0.0000000), wk = 0.0020661 k( 84) = ( 0.2188433 0.6780748 -0.0000000), wk = 0.0020661 k( 85) = ( 0.2088958 0.6780748 -0.0000000), wk = 0.0020661 k( 86) = ( 0.1989484 0.6780748 -0.0000000), wk = 0.0020661 k( 87) = ( 0.1890010 0.6780748 -0.0000000), wk = 0.0020661 k( 88) = ( 0.1790536 0.6780748 -0.0000000), wk = 0.0020661 k( 89) = ( 0.1691062 0.6780748 -0.0000000), wk = 0.0020661 k( 90) = ( 0.1591587 0.6780748 -0.0000000), wk = 0.0020661 k( 91) = ( 0.1492113 0.6780748 -0.0000000), wk = 0.0020661 k( 92) = ( 0.1392639 0.6780748 -0.0000000), wk = 0.0020661 k( 93) = ( 0.1293165 0.6780748 -0.0000000), wk = 0.0020661 k( 94) = ( 0.1193691 0.6780748 -0.0000000), wk = 0.0020661 k( 95) = ( 0.1094216 0.6780748 -0.0000000), wk = 0.0020661 k( 96) = ( 0.0994742 0.6780748 -0.0000000), wk = 0.0020661 k( 97) = ( 0.0895268 0.6780748 -0.0000000), wk = 0.0020661 k( 98) = ( 0.0795794 0.6780748 -0.0000000), wk = 0.0020661 k( 99) = ( 0.0696319 0.6780748 -0.0000000), wk = 0.0020661 k( 100) = ( 0.0596845 0.6780748 -0.0000000), wk = 0.0020661 k( 101) = ( 0.0497371 0.6780748 -0.0000000), wk = 0.0020661 k( 102) = ( 0.0397897 0.6780748 -0.0000000), wk = 0.0020661 k( 103) = ( 0.0298423 0.6780748 -0.0000000), wk = 0.0020661 k( 104) = ( 0.0198948 0.6780748 -0.0000000), wk = 0.0020661 k( 105) = ( 0.0099474 0.6780748 -0.0000000), wk = 0.0020661 k( 106) = ( 0.0000000 0.6780748 -0.0000000), wk = 0.0020661 k( 107) = ( 0.0000000 0.6780748 -0.0000000), wk = 0.0020661 k( 108) = ( 0.0000000 0.6780748 0.0094224), wk = 0.0020661 k( 109) = ( 0.0000000 0.6780748 0.0188447), wk = 0.0020661 k( 110) = ( 0.0000000 0.6780748 0.0282671), wk = 0.0020661 k( 111) = ( 0.0000000 0.6780748 0.0376895), wk = 0.0020661 k( 112) = ( 0.0000000 0.6780748 0.0471118), wk = 0.0020661 k( 113) = ( 0.0000000 0.6780748 0.0565342), wk = 0.0020661 k( 114) = ( 0.0000000 0.6780748 0.0659565), wk = 0.0020661 k( 115) = ( 0.0000000 0.6780748 0.0753789), wk = 0.0020661 k( 116) = ( 0.0000000 0.6780748 0.0848013), wk = 0.0020661 k( 117) = ( 0.0000000 0.6780748 0.0942236), wk = 0.0020661 k( 118) = ( 0.0000000 0.6780748 0.1036460), wk = 0.0020661 k( 119) = ( 0.0000000 0.6780748 0.1130684), wk = 0.0020661 k( 120) = ( 0.0000000 0.6780748 0.1224907), wk = 0.0020661 k( 121) = ( 0.0000000 0.6780748 0.1319131), wk = 0.0020661 k( 122) = ( 0.0000000 0.6780748 0.1319131), wk = 0.0020661 k( 123) = ( 0.0099474 0.6780748 0.1319131), wk = 0.0020661 k( 124) = ( 0.0198948 0.6780748 0.1319131), wk = 0.0020661 k( 125) = ( 0.0298423 0.6780748 0.1319131), wk = 0.0020661 k( 126) = ( 0.0397897 0.6780748 0.1319131), wk = 0.0020661 k( 127) = ( 0.0497371 0.6780748 0.1319131), wk = 0.0020661 k( 128) = ( 0.0596845 0.6780748 0.1319131), wk = 0.0020661 k( 129) = ( 0.0696319 0.6780748 0.1319131), wk = 0.0020661 k( 130) = ( 0.0795794 0.6780748 0.1319131), wk = 0.0020661 k( 131) = ( 0.0895268 0.6780748 0.1319131), wk = 0.0020661 k( 132) = ( 0.0994742 0.6780748 0.1319131), wk = 0.0020661 k( 133) = ( 0.1094216 0.6780748 0.1319131), wk = 0.0020661 k( 134) = ( 0.1193691 0.6780748 0.1319131), wk = 0.0020661 k( 135) = ( 0.1293165 0.6780748 0.1319131), wk = 0.0020661 k( 136) = ( 0.1392639 0.6780748 0.1319131), wk = 0.0020661 k( 137) = ( 0.1492113 0.6780748 0.1319131), wk = 0.0020661 k( 138) = ( 0.1591587 0.6780748 0.1319131), wk = 0.0020661 k( 139) = ( 0.1691062 0.6780748 0.1319131), wk = 0.0020661 k( 140) = ( 0.1790536 0.6780748 0.1319131), wk = 0.0020661 k( 141) = ( 0.1890010 0.6780748 0.1319131), wk = 0.0020661 k( 142) = ( 0.1989484 0.6780748 0.1319131), wk = 0.0020661 k( 143) = ( 0.2088958 0.6780748 0.1319131), wk = 0.0020661 k( 144) = ( 0.2188433 0.6780748 0.1319131), wk = 0.0020661 k( 145) = ( 0.2287907 0.6780748 0.1319131), wk = 0.0020661 k( 146) = ( 0.2387381 0.6780748 0.1319131), wk = 0.0020661 k( 147) = ( 0.2486855 0.6780748 0.1319131), wk = 0.0020661 k( 148) = ( 0.2586329 0.6780748 0.1319131), wk = 0.0020661 k( 149) = ( 0.2685804 0.6780748 0.1319131), wk = 0.0020661 k( 150) = ( 0.2785278 0.6780748 0.1319131), wk = 0.0020661 k( 151) = ( 0.2884752 0.6780748 0.1319131), wk = 0.0020661 k( 152) = ( 0.2984226 0.6780748 0.1319131), wk = 0.0020661 k( 153) = ( 0.2984226 0.6780748 0.1319131), wk = 0.0020661 k( 154) = ( 0.2943899 0.6689116 0.1319131), wk = 0.0020661 k( 155) = ( 0.2903572 0.6597484 0.1319131), wk = 0.0020661 k( 156) = ( 0.2863244 0.6505853 0.1319131), wk = 0.0020661 k( 157) = ( 0.2822917 0.6414221 0.1319131), wk = 0.0020661 k( 158) = ( 0.2782589 0.6322589 0.1319131), wk = 0.0020661 k( 159) = ( 0.2742262 0.6230957 0.1319131), wk = 0.0020661 k( 160) = ( 0.2701935 0.6139326 0.1319131), wk = 0.0020661 k( 161) = ( 0.2661607 0.6047694 0.1319131), wk = 0.0020661 k( 162) = ( 0.2621280 0.5956062 0.1319131), wk = 0.0020661 k( 163) = ( 0.2580952 0.5864430 0.1319131), wk = 0.0020661 k( 164) = ( 0.2540625 0.5772799 0.1319131), wk = 0.0020661 k( 165) = ( 0.2500298 0.5681167 0.1319131), wk = 0.0020661 k( 166) = ( 0.2459970 0.5589535 0.1319131), wk = 0.0020661 k( 167) = ( 0.2419643 0.5497904 0.1319131), wk = 0.0020661 k( 168) = ( 0.2379315 0.5406272 0.1319131), wk = 0.0020661 k( 169) = ( 0.2338988 0.5314640 0.1319131), wk = 0.0020661 k( 170) = ( 0.2298661 0.5223008 0.1319131), wk = 0.0020661 k( 171) = ( 0.2258333 0.5131377 0.1319131), wk = 0.0020661 k( 172) = ( 0.2218006 0.5039745 0.1319131), wk = 0.0020661 k( 173) = ( 0.2177679 0.4948113 0.1319131), wk = 0.0020661 k( 174) = ( 0.2137351 0.4856481 0.1319131), wk = 0.0020661 k( 175) = ( 0.2097024 0.4764850 0.1319131), wk = 0.0020661 k( 176) = ( 0.2056697 0.4673218 0.1319131), wk = 0.0020661 k( 177) = ( 0.2016369 0.4581586 0.1319131), wk = 0.0020661 k( 178) = ( 0.1976042 0.4489955 0.1319131), wk = 0.0020661 k( 179) = ( 0.1935714 0.4398323 0.1319131), wk = 0.0020661 k( 180) = ( 0.1895387 0.4306691 0.1319131), wk = 0.0020661 k( 181) = ( 0.1855060 0.4215059 0.1319131), wk = 0.0020661 k( 182) = ( 0.1814732 0.4123428 0.1319131), wk = 0.0020661 k( 183) = ( 0.1774405 0.4031796 0.1319131), wk = 0.0020661 k( 184) = ( 0.1734077 0.3940164 0.1319131), wk = 0.0020661 k( 185) = ( 0.1693750 0.3848532 0.1319131), wk = 0.0020661 k( 186) = ( 0.1653423 0.3756901 0.1319131), wk = 0.0020661 k( 187) = ( 0.1613095 0.3665269 0.1319131), wk = 0.0020661 k( 188) = ( 0.1572768 0.3573637 0.1319131), wk = 0.0020661 k( 189) = ( 0.1532440 0.3482006 0.1319131), wk = 0.0020661 k( 190) = ( 0.1492113 0.3390374 0.1319131), wk = 0.0020661 k( 191) = ( 0.1451786 0.3298742 0.1319131), wk = 0.0020661 k( 192) = ( 0.1411458 0.3207110 0.1319131), wk = 0.0020661 k( 193) = ( 0.1371131 0.3115479 0.1319131), wk = 0.0020661 k( 194) = ( 0.1330804 0.3023847 0.1319131), wk = 0.0020661 k( 195) = ( 0.1290476 0.2932215 0.1319131), wk = 0.0020661 k( 196) = ( 0.1250149 0.2840583 0.1319131), wk = 0.0020661 k( 197) = ( 0.1209821 0.2748952 0.1319131), wk = 0.0020661 k( 198) = ( 0.1169494 0.2657320 0.1319131), wk = 0.0020661 k( 199) = ( 0.1129167 0.2565688 0.1319131), wk = 0.0020661 k( 200) = ( 0.1088839 0.2474057 0.1319131), wk = 0.0020661 k( 201) = ( 0.1048512 0.2382425 0.1319131), wk = 0.0020661 k( 202) = ( 0.1008185 0.2290793 0.1319131), wk = 0.0020661 k( 203) = ( 0.0967857 0.2199162 0.1319131), wk = 0.0020661 k( 204) = ( 0.0927530 0.2107530 0.1319131), wk = 0.0020661 k( 205) = ( 0.0887202 0.2015898 0.1319131), wk = 0.0020661 k( 206) = ( 0.0846875 0.1924266 0.1319131), wk = 0.0020661 k( 207) = ( 0.0806548 0.1832634 0.1319131), wk = 0.0020661 k( 208) = ( 0.0766220 0.1741003 0.1319131), wk = 0.0020661 k( 209) = ( 0.0725893 0.1649371 0.1319131), wk = 0.0020661 k( 210) = ( 0.0685565 0.1557739 0.1319131), wk = 0.0020661 k( 211) = ( 0.0645238 0.1466108 0.1319131), wk = 0.0020661 k( 212) = ( 0.0604911 0.1374476 0.1319131), wk = 0.0020661 k( 213) = ( 0.0564583 0.1282844 0.1319131), wk = 0.0020661 k( 214) = ( 0.0524256 0.1191213 0.1319131), wk = 0.0020661 k( 215) = ( 0.0483929 0.1099581 0.1319131), wk = 0.0020661 k( 216) = ( 0.0443601 0.1007949 0.1319131), wk = 0.0020661 k( 217) = ( 0.0403274 0.0916317 0.1319131), wk = 0.0020661 k( 218) = ( 0.0362946 0.0824685 0.1319131), wk = 0.0020661 k( 219) = ( 0.0322619 0.0733054 0.1319131), wk = 0.0020661 k( 220) = ( 0.0282292 0.0641422 0.1319131), wk = 0.0020661 k( 221) = ( 0.0241964 0.0549790 0.1319131), wk = 0.0020661 k( 222) = ( 0.0201637 0.0458159 0.1319131), wk = 0.0020661 k( 223) = ( 0.0161310 0.0366527 0.1319131), wk = 0.0020661 k( 224) = ( 0.0120982 0.0274895 0.1319131), wk = 0.0020661 k( 225) = ( 0.0080655 0.0183264 0.1319131), wk = 0.0020661 k( 226) = ( 0.0040327 0.0091632 0.1319131), wk = 0.0020661 k( 227) = ( 0.0000000 0.0000000 0.1319131), wk = 0.0020661 k( 228) = ( 0.0000000 0.0000000 0.1319131), wk = 0.0020661 k( 229) = ( 0.0000000 0.0000000 0.1224907), wk = 0.0020661 k( 230) = ( 0.0000000 0.0000000 0.1130684), wk = 0.0020661 k( 231) = ( 0.0000000 0.0000000 0.1036460), wk = 0.0020661 k( 232) = ( 0.0000000 0.0000000 0.0942236), wk = 0.0020661 k( 233) = ( 0.0000000 0.0000000 0.0848013), wk = 0.0020661 k( 234) = ( 0.0000000 0.0000000 0.0753789), wk = 0.0020661 k( 235) = ( 0.0000000 0.0000000 0.0659565), wk = 0.0020661 k( 236) = ( 0.0000000 0.0000000 0.0565342), wk = 0.0020661 k( 237) = ( 0.0000000 0.0000000 0.0471118), wk = 0.0020661 k( 238) = ( 0.0000000 0.0000000 0.0376895), wk = 0.0020661 k( 239) = ( 0.0000000 0.0000000 0.0282671), wk = 0.0020661 k( 240) = ( 0.0000000 0.0000000 0.0188447), wk = 0.0020661 k( 241) = ( 0.0000000 0.0000000 0.0094224), wk = 0.0020661 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 244) = ( -0.0092593 0.0040750 0.0000000), wk = 0.0020661 k( 245) = ( -0.0185185 0.0081501 0.0000000), wk = 0.0020661 k( 246) = ( -0.0277778 0.0122251 0.0000000), wk = 0.0020661 k( 247) = ( -0.0370370 0.0163001 0.0000000), wk = 0.0020661 k( 248) = ( -0.0462963 0.0203751 0.0000000), wk = 0.0020661 k( 249) = ( -0.0555556 0.0244502 0.0000000), wk = 0.0020661 k( 250) = ( -0.0648148 0.0285252 0.0000000), wk = 0.0020661 k( 251) = ( -0.0740741 0.0326002 0.0000000), wk = 0.0020661 k( 252) = ( -0.0833333 0.0366752 0.0000000), wk = 0.0020661 k( 253) = ( -0.0925926 0.0407503 0.0000000), wk = 0.0020661 k( 254) = ( -0.1018518 0.0448253 0.0000000), wk = 0.0020661 k( 255) = ( -0.1111111 0.0489003 0.0000000), wk = 0.0020661 k( 256) = ( -0.1203704 0.0529753 0.0000000), wk = 0.0020661 k( 257) = ( -0.1296296 0.0570504 0.0000000), wk = 0.0020661 k( 258) = ( -0.1388889 0.0611254 0.0000000), wk = 0.0020661 k( 259) = ( -0.1481482 0.0652004 0.0000000), wk = 0.0020661 k( 260) = ( -0.1574074 0.0692754 0.0000000), wk = 0.0020661 k( 261) = ( -0.1666667 0.0733505 0.0000000), wk = 0.0020661 k( 262) = ( -0.1759259 0.0774255 0.0000000), wk = 0.0020661 k( 263) = ( -0.1851852 0.0815005 0.0000000), wk = 0.0020661 k( 264) = ( -0.1944444 0.0855755 0.0000000), wk = 0.0020661 k( 265) = ( -0.2037037 0.0896506 0.0000000), wk = 0.0020661 k( 266) = ( -0.2129630 0.0937256 0.0000000), wk = 0.0020661 k( 267) = ( -0.2222222 0.0978006 0.0000000), wk = 0.0020661 k( 268) = ( -0.2314815 0.1018757 0.0000000), wk = 0.0020661 k( 269) = ( -0.2407407 0.1059507 0.0000000), wk = 0.0020661 k( 270) = ( -0.2500000 0.1100257 0.0000000), wk = 0.0020661 k( 271) = ( -0.2592593 0.1141007 0.0000000), wk = 0.0020661 k( 272) = ( -0.2685185 0.1181758 0.0000000), wk = 0.0020661 k( 273) = ( -0.2777778 0.1222508 0.0000000), wk = 0.0020661 k( 274) = ( -0.2870370 0.1263258 0.0000000), wk = 0.0020661 k( 275) = ( -0.2962963 0.1304008 0.0000000), wk = 0.0020661 k( 276) = ( -0.3055556 0.1344759 0.0000000), wk = 0.0020661 k( 277) = ( -0.3148148 0.1385509 0.0000000), wk = 0.0020661 k( 278) = ( -0.3240741 0.1426259 0.0000000), wk = 0.0020661 k( 279) = ( -0.3333333 0.1467009 0.0000000), wk = 0.0020661 k( 280) = ( -0.3425926 0.1507760 0.0000000), wk = 0.0020661 k( 281) = ( -0.3518519 0.1548510 0.0000000), wk = 0.0020661 k( 282) = ( -0.3611111 0.1589260 0.0000000), wk = 0.0020661 k( 283) = ( -0.3703704 0.1630010 0.0000000), wk = 0.0020661 k( 284) = ( -0.3796296 0.1670761 0.0000000), wk = 0.0020661 k( 285) = ( -0.3888889 0.1711511 0.0000000), wk = 0.0020661 k( 286) = ( -0.3981481 0.1752261 0.0000000), wk = 0.0020661 k( 287) = ( -0.4074074 0.1793012 0.0000000), wk = 0.0020661 k( 288) = ( -0.4166667 0.1833762 0.0000000), wk = 0.0020661 k( 289) = ( -0.4259259 0.1874512 0.0000000), wk = 0.0020661 k( 290) = ( -0.4351852 0.1915262 0.0000000), wk = 0.0020661 k( 291) = ( -0.4444444 0.1956013 0.0000000), wk = 0.0020661 k( 292) = ( -0.4537037 0.1996763 0.0000000), wk = 0.0020661 k( 293) = ( -0.4629630 0.2037513 0.0000000), wk = 0.0020661 k( 294) = ( -0.4722222 0.2078263 0.0000000), wk = 0.0020661 k( 295) = ( -0.4814815 0.2119014 0.0000000), wk = 0.0020661 k( 296) = ( -0.4907407 0.2159764 0.0000000), wk = 0.0020661 k( 297) = ( -0.5000000 0.2200514 0.0000000), wk = 0.0020661 k( 298) = ( -0.5000000 0.2200514 0.0000000), wk = 0.0020661 k( 299) = ( -0.4959685 0.2292119 -0.0000000), wk = 0.0020661 k( 300) = ( -0.4919369 0.2383724 -0.0000000), wk = 0.0020661 k( 301) = ( -0.4879054 0.2475328 -0.0000000), wk = 0.0020661 k( 302) = ( -0.4838738 0.2566933 -0.0000000), wk = 0.0020661 k( 303) = ( -0.4798423 0.2658538 -0.0000000), wk = 0.0020661 k( 304) = ( -0.4758107 0.2750142 -0.0000000), wk = 0.0020661 k( 305) = ( -0.4717792 0.2841747 -0.0000000), wk = 0.0020661 k( 306) = ( -0.4677476 0.2933352 -0.0000000), wk = 0.0020661 k( 307) = ( -0.4637161 0.3024956 -0.0000000), wk = 0.0020661 k( 308) = ( -0.4596845 0.3116561 -0.0000000), wk = 0.0020661 k( 309) = ( -0.4556530 0.3208165 -0.0000000), wk = 0.0020661 k( 310) = ( -0.4516214 0.3299770 -0.0000000), wk = 0.0020661 k( 311) = ( -0.4475899 0.3391375 -0.0000000), wk = 0.0020661 k( 312) = ( -0.4435583 0.3482980 -0.0000000), wk = 0.0020661 k( 313) = ( -0.4395268 0.3574584 -0.0000000), wk = 0.0020661 k( 314) = ( -0.4354952 0.3666189 -0.0000000), wk = 0.0020661 k( 315) = ( -0.4314637 0.3757794 -0.0000000), wk = 0.0020661 k( 316) = ( -0.4274321 0.3849398 -0.0000000), wk = 0.0020661 k( 317) = ( -0.4234006 0.3941003 -0.0000000), wk = 0.0020661 k( 318) = ( -0.4193691 0.4032608 -0.0000000), wk = 0.0020661 k( 319) = ( -0.4153375 0.4124212 -0.0000000), wk = 0.0020661 k( 320) = ( -0.4113059 0.4215817 -0.0000000), wk = 0.0020661 k( 321) = ( -0.4072744 0.4307422 -0.0000000), wk = 0.0020661 k( 322) = ( -0.4032429 0.4399026 -0.0000000), wk = 0.0020661 k( 323) = ( -0.3992113 0.4490631 -0.0000000), wk = 0.0020661 k( 324) = ( -0.3951798 0.4582236 -0.0000000), wk = 0.0020661 k( 325) = ( -0.3911482 0.4673840 -0.0000000), wk = 0.0020661 k( 326) = ( -0.3871167 0.4765445 -0.0000000), wk = 0.0020661 k( 327) = ( -0.3830851 0.4857050 -0.0000000), wk = 0.0020661 k( 328) = ( -0.3790536 0.4948654 -0.0000000), wk = 0.0020661 k( 329) = ( -0.3750220 0.5040259 -0.0000000), wk = 0.0020661 k( 330) = ( -0.3709905 0.5131864 -0.0000000), wk = 0.0020661 k( 331) = ( -0.3669589 0.5223468 -0.0000000), wk = 0.0020661 k( 332) = ( -0.3629274 0.5315073 -0.0000000), wk = 0.0020661 k( 333) = ( -0.3588958 0.5406678 -0.0000000), wk = 0.0020661 k( 334) = ( -0.3548643 0.5498282 -0.0000000), wk = 0.0020661 k( 335) = ( -0.3508327 0.5589887 -0.0000000), wk = 0.0020661 k( 336) = ( -0.3468012 0.5681492 -0.0000000), wk = 0.0020661 k( 337) = ( -0.3427696 0.5773096 -0.0000000), wk = 0.0020661 k( 338) = ( -0.3387381 0.5864701 -0.0000000), wk = 0.0020661 k( 339) = ( -0.3347065 0.5956306 -0.0000000), wk = 0.0020661 k( 340) = ( -0.3306750 0.6047910 -0.0000000), wk = 0.0020661 k( 341) = ( -0.3266435 0.6139515 -0.0000000), wk = 0.0020661 k( 342) = ( -0.3226119 0.6231120 -0.0000000), wk = 0.0020661 k( 343) = ( -0.3185804 0.6322724 -0.0000000), wk = 0.0020661 k( 344) = ( -0.3145488 0.6414329 -0.0000000), wk = 0.0020661 k( 345) = ( -0.3105173 0.6505934 -0.0000000), wk = 0.0020661 k( 346) = ( -0.3064857 0.6597538 -0.0000000), wk = 0.0020661 k( 347) = ( -0.3024542 0.6689143 -0.0000000), wk = 0.0020661 k( 348) = ( -0.2984226 0.6780748 -0.0000000), wk = 0.0020661 k( 349) = ( -0.2984226 0.6780748 -0.0000000), wk = 0.0020661 k( 350) = ( -0.2984226 0.6780748 0.0094224), wk = 0.0020661 k( 351) = ( -0.2984226 0.6780748 0.0188447), wk = 0.0020661 k( 352) = ( -0.2984226 0.6780748 0.0282671), wk = 0.0020661 k( 353) = ( -0.2984226 0.6780748 0.0376895), wk = 0.0020661 k( 354) = ( -0.2984226 0.6780748 0.0471118), wk = 0.0020661 k( 355) = ( -0.2984226 0.6780748 0.0565342), wk = 0.0020661 k( 356) = ( -0.2984226 0.6780748 0.0659565), wk = 0.0020661 k( 357) = ( -0.2984226 0.6780748 0.0753789), wk = 0.0020661 k( 358) = ( -0.2984226 0.6780748 0.0848013), wk = 0.0020661 k( 359) = ( -0.2984226 0.6780748 0.0942236), wk = 0.0020661 k( 360) = ( -0.2984226 0.6780748 0.1036460), wk = 0.0020661 k( 361) = ( -0.2984226 0.6780748 0.1130684), wk = 0.0020661 k( 362) = ( -0.2984226 0.6780748 0.1224907), wk = 0.0020661 k( 363) = ( -0.2984226 0.6780748 0.1319131), wk = 0.0020661 k( 364) = ( -0.2984226 0.6780748 0.1319131), wk = 0.0020661 k( 365) = ( -0.3024542 0.6689143 0.1319131), wk = 0.0020661 k( 366) = ( -0.3064857 0.6597538 0.1319131), wk = 0.0020661 k( 367) = ( -0.3105173 0.6505934 0.1319131), wk = 0.0020661 k( 368) = ( -0.3145488 0.6414329 0.1319131), wk = 0.0020661 k( 369) = ( -0.3185804 0.6322724 0.1319131), wk = 0.0020661 k( 370) = ( -0.3226119 0.6231120 0.1319131), wk = 0.0020661 k( 371) = ( -0.3266435 0.6139515 0.1319131), wk = 0.0020661 k( 372) = ( -0.3306750 0.6047910 0.1319131), wk = 0.0020661 k( 373) = ( -0.3347065 0.5956306 0.1319131), wk = 0.0020661 k( 374) = ( -0.3387381 0.5864701 0.1319131), wk = 0.0020661 k( 375) = ( -0.3427696 0.5773096 0.1319131), wk = 0.0020661 k( 376) = ( -0.3468012 0.5681492 0.1319131), wk = 0.0020661 k( 377) = ( -0.3508327 0.5589887 0.1319131), wk = 0.0020661 k( 378) = ( -0.3548643 0.5498282 0.1319131), wk = 0.0020661 k( 379) = ( -0.3588958 0.5406678 0.1319131), wk = 0.0020661 k( 380) = ( -0.3629274 0.5315073 0.1319131), wk = 0.0020661 k( 381) = ( -0.3669589 0.5223468 0.1319131), wk = 0.0020661 k( 382) = ( -0.3709905 0.5131864 0.1319131), wk = 0.0020661 k( 383) = ( -0.3750220 0.5040259 0.1319131), wk = 0.0020661 k( 384) = ( -0.3790536 0.4948654 0.1319131), wk = 0.0020661 k( 385) = ( -0.3830851 0.4857050 0.1319131), wk = 0.0020661 k( 386) = ( -0.3871167 0.4765445 0.1319131), wk = 0.0020661 k( 387) = ( -0.3911482 0.4673840 0.1319131), wk = 0.0020661 k( 388) = ( -0.3951798 0.4582236 0.1319131), wk = 0.0020661 k( 389) = ( -0.3992113 0.4490631 0.1319131), wk = 0.0020661 k( 390) = ( -0.4032429 0.4399026 0.1319131), wk = 0.0020661 k( 391) = ( -0.4072744 0.4307422 0.1319131), wk = 0.0020661 k( 392) = ( -0.4113059 0.4215817 0.1319131), wk = 0.0020661 k( 393) = ( -0.4153375 0.4124212 0.1319131), wk = 0.0020661 k( 394) = ( -0.4193691 0.4032608 0.1319131), wk = 0.0020661 k( 395) = ( -0.4234006 0.3941003 0.1319131), wk = 0.0020661 k( 396) = ( -0.4274321 0.3849398 0.1319131), wk = 0.0020661 k( 397) = ( -0.4314637 0.3757794 0.1319131), wk = 0.0020661 k( 398) = ( -0.4354952 0.3666189 0.1319131), wk = 0.0020661 k( 399) = ( -0.4395268 0.3574584 0.1319131), wk = 0.0020661 k( 400) = ( -0.4435583 0.3482980 0.1319131), wk = 0.0020661 k( 401) = ( -0.4475899 0.3391375 0.1319131), wk = 0.0020661 k( 402) = ( -0.4516214 0.3299770 0.1319131), wk = 0.0020661 k( 403) = ( -0.4556530 0.3208165 0.1319131), wk = 0.0020661 k( 404) = ( -0.4596845 0.3116561 0.1319131), wk = 0.0020661 k( 405) = ( -0.4637161 0.3024956 0.1319131), wk = 0.0020661 k( 406) = ( -0.4677476 0.2933352 0.1319131), wk = 0.0020661 k( 407) = ( -0.4717792 0.2841747 0.1319131), wk = 0.0020661 k( 408) = ( -0.4758107 0.2750142 0.1319131), wk = 0.0020661 k( 409) = ( -0.4798423 0.2658538 0.1319131), wk = 0.0020661 k( 410) = ( -0.4838738 0.2566933 0.1319131), wk = 0.0020661 k( 411) = ( -0.4879054 0.2475328 0.1319131), wk = 0.0020661 k( 412) = ( -0.4919369 0.2383724 0.1319131), wk = 0.0020661 k( 413) = ( -0.4959685 0.2292119 0.1319131), wk = 0.0020661 k( 414) = ( -0.5000000 0.2200514 0.1319131), wk = 0.0020661 k( 415) = ( -0.5000000 0.2200514 0.1319131), wk = 0.0020661 k( 416) = ( -0.5000000 0.2200514 0.1224907), wk = 0.0020661 k( 417) = ( -0.5000000 0.2200514 0.1130684), wk = 0.0020661 k( 418) = ( -0.5000000 0.2200514 0.1036460), wk = 0.0020661 k( 419) = ( -0.5000000 0.2200514 0.0942236), wk = 0.0020661 k( 420) = ( -0.5000000 0.2200514 0.0848013), wk = 0.0020661 k( 421) = ( -0.5000000 0.2200514 0.0753789), wk = 0.0020661 k( 422) = ( -0.5000000 0.2200514 0.0659565), wk = 0.0020661 k( 423) = ( -0.5000000 0.2200514 0.0565342), wk = 0.0020661 k( 424) = ( -0.5000000 0.2200514 0.0471118), wk = 0.0020661 k( 425) = ( -0.5000000 0.2200514 0.0376895), wk = 0.0020661 k( 426) = ( -0.5000000 0.2200514 0.0282671), wk = 0.0020661 k( 427) = ( -0.5000000 0.2200514 0.0188447), wk = 0.0020661 k( 428) = ( -0.5000000 0.2200514 0.0094224), wk = 0.0020661 k( 429) = ( -0.5000000 0.2200514 0.0000000), wk = 0.0020661 k( 430) = ( 0.0000000 0.0000000 0.1319131), wk = 0.0020661 k( 431) = ( -0.0092593 0.0040750 0.1319131), wk = 0.0020661 k( 432) = ( -0.0185185 0.0081501 0.1319131), wk = 0.0020661 k( 433) = ( -0.0277778 0.0122251 0.1319131), wk = 0.0020661 k( 434) = ( -0.0370370 0.0163001 0.1319131), wk = 0.0020661 k( 435) = ( -0.0462963 0.0203751 0.1319131), wk = 0.0020661 k( 436) = ( -0.0555556 0.0244502 0.1319131), wk = 0.0020661 k( 437) = ( -0.0648148 0.0285252 0.1319131), wk = 0.0020661 k( 438) = ( -0.0740741 0.0326002 0.1319131), wk = 0.0020661 k( 439) = ( -0.0833333 0.0366752 0.1319131), wk = 0.0020661 k( 440) = ( -0.0925926 0.0407503 0.1319131), wk = 0.0020661 k( 441) = ( -0.1018518 0.0448253 0.1319131), wk = 0.0020661 k( 442) = ( -0.1111111 0.0489003 0.1319131), wk = 0.0020661 k( 443) = ( -0.1203704 0.0529753 0.1319131), wk = 0.0020661 k( 444) = ( -0.1296296 0.0570504 0.1319131), wk = 0.0020661 k( 445) = ( -0.1388889 0.0611254 0.1319131), wk = 0.0020661 k( 446) = ( -0.1481482 0.0652004 0.1319131), wk = 0.0020661 k( 447) = ( -0.1574074 0.0692754 0.1319131), wk = 0.0020661 k( 448) = ( -0.1666667 0.0733505 0.1319131), wk = 0.0020661 k( 449) = ( -0.1759259 0.0774255 0.1319131), wk = 0.0020661 k( 450) = ( -0.1851852 0.0815005 0.1319131), wk = 0.0020661 k( 451) = ( -0.1944444 0.0855755 0.1319131), wk = 0.0020661 k( 452) = ( -0.2037037 0.0896506 0.1319131), wk = 0.0020661 k( 453) = ( -0.2129630 0.0937256 0.1319131), wk = 0.0020661 k( 454) = ( -0.2222222 0.0978006 0.1319131), wk = 0.0020661 k( 455) = ( -0.2314815 0.1018757 0.1319131), wk = 0.0020661 k( 456) = ( -0.2407407 0.1059507 0.1319131), wk = 0.0020661 k( 457) = ( -0.2500000 0.1100257 0.1319131), wk = 0.0020661 k( 458) = ( -0.2592593 0.1141007 0.1319131), wk = 0.0020661 k( 459) = ( -0.2685185 0.1181758 0.1319131), wk = 0.0020661 k( 460) = ( -0.2777778 0.1222508 0.1319131), wk = 0.0020661 k( 461) = ( -0.2870370 0.1263258 0.1319131), wk = 0.0020661 k( 462) = ( -0.2962963 0.1304008 0.1319131), wk = 0.0020661 k( 463) = ( -0.3055556 0.1344759 0.1319131), wk = 0.0020661 k( 464) = ( -0.3148148 0.1385509 0.1319131), wk = 0.0020661 k( 465) = ( -0.3240741 0.1426259 0.1319131), wk = 0.0020661 k( 466) = ( -0.3333333 0.1467009 0.1319131), wk = 0.0020661 k( 467) = ( -0.3425926 0.1507760 0.1319131), wk = 0.0020661 k( 468) = ( -0.3518519 0.1548510 0.1319131), wk = 0.0020661 k( 469) = ( -0.3611111 0.1589260 0.1319131), wk = 0.0020661 k( 470) = ( -0.3703704 0.1630010 0.1319131), wk = 0.0020661 k( 471) = ( -0.3796296 0.1670761 0.1319131), wk = 0.0020661 k( 472) = ( -0.3888889 0.1711511 0.1319131), wk = 0.0020661 k( 473) = ( -0.3981481 0.1752261 0.1319131), wk = 0.0020661 k( 474) = ( -0.4074074 0.1793012 0.1319131), wk = 0.0020661 k( 475) = ( -0.4166667 0.1833762 0.1319131), wk = 0.0020661 k( 476) = ( -0.4259259 0.1874512 0.1319131), wk = 0.0020661 k( 477) = ( -0.4351852 0.1915262 0.1319131), wk = 0.0020661 k( 478) = ( -0.4444444 0.1956013 0.1319131), wk = 0.0020661 k( 479) = ( -0.4537037 0.1996763 0.1319131), wk = 0.0020661 k( 480) = ( -0.4629630 0.2037513 0.1319131), wk = 0.0020661 k( 481) = ( -0.4722222 0.2078263 0.1319131), wk = 0.0020661 k( 482) = ( -0.4814815 0.2119014 0.1319131), wk = 0.0020661 k( 483) = ( -0.4907407 0.2159764 0.1319131), wk = 0.0020661 k( 484) = ( -0.5000000 0.2200514 0.1319131), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0040327 0.0040327 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0080655 0.0080655 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0120982 0.0120982 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0161310 0.0161309 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0201637 0.0201637 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0241964 0.0241964 0.0000000), wk = 0.0020661 k( 8) = ( 0.0282292 0.0282292 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0322619 0.0322619 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0362946 0.0362946 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0403274 0.0403274 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0443601 0.0443601 -0.0000000), wk = 0.0020661 k( 13) = ( 0.0483929 0.0483929 0.0000000), wk = 0.0020661 k( 14) = ( 0.0524256 0.0524256 -0.0000000), wk = 0.0020661 k( 15) = ( 0.0564583 0.0564583 -0.0000000), wk = 0.0020661 k( 16) = ( 0.0604911 0.0604911 -0.0000000), wk = 0.0020661 k( 17) = ( 0.0645238 0.0645238 -0.0000000), wk = 0.0020661 k( 18) = ( 0.0685565 0.0685565 -0.0000000), wk = 0.0020661 k( 19) = ( 0.0725893 0.0725893 -0.0000000), wk = 0.0020661 k( 20) = ( 0.0766220 0.0766220 -0.0000000), wk = 0.0020661 k( 21) = ( 0.0806548 0.0806548 -0.0000000), wk = 0.0020661 k( 22) = ( 0.0846875 0.0846875 -0.0000000), wk = 0.0020661 k( 23) = ( 0.0887202 0.0887202 -0.0000000), wk = 0.0020661 k( 24) = ( 0.0927530 0.0927530 0.0000000), wk = 0.0020661 k( 25) = ( 0.0967857 0.0967857 0.0000000), wk = 0.0020661 k( 26) = ( 0.1008185 0.1008184 -0.0000000), wk = 0.0020661 k( 27) = ( 0.1048512 0.1048512 -0.0000000), wk = 0.0020661 k( 28) = ( 0.1088839 0.1088839 0.0000000), wk = 0.0020661 k( 29) = ( 0.1129167 0.1129167 0.0000000), wk = 0.0020661 k( 30) = ( 0.1169494 0.1169494 -0.0000000), wk = 0.0020661 k( 31) = ( 0.1209821 0.1209821 -0.0000000), wk = 0.0020661 k( 32) = ( 0.1250149 0.1250149 0.0000000), wk = 0.0020661 k( 33) = ( 0.1290476 0.1290476 -0.0000000), wk = 0.0020661 k( 34) = ( 0.1330804 0.1330804 -0.0000000), wk = 0.0020661 k( 35) = ( 0.1371131 0.1371131 -0.0000000), wk = 0.0020661 k( 36) = ( 0.1411458 0.1411458 -0.0000000), wk = 0.0020661 k( 37) = ( 0.1451786 0.1451786 0.0000000), wk = 0.0020661 k( 38) = ( 0.1492113 0.1492113 -0.0000000), wk = 0.0020661 k( 39) = ( 0.1532440 0.1532440 0.0000000), wk = 0.0020661 k( 40) = ( 0.1572768 0.1572768 -0.0000000), wk = 0.0020661 k( 41) = ( 0.1613095 0.1613095 -0.0000000), wk = 0.0020661 k( 42) = ( 0.1653423 0.1653423 -0.0000000), wk = 0.0020661 k( 43) = ( 0.1693750 0.1693750 -0.0000000), wk = 0.0020661 k( 44) = ( 0.1734077 0.1734077 -0.0000000), wk = 0.0020661 k( 45) = ( 0.1774405 0.1774405 -0.0000000), wk = 0.0020661 k( 46) = ( 0.1814732 0.1814732 -0.0000000), wk = 0.0020661 k( 47) = ( 0.1855060 0.1855060 0.0000000), wk = 0.0020661 k( 48) = ( 0.1895387 0.1895387 -0.0000000), wk = 0.0020661 k( 49) = ( 0.1935714 0.1935714 0.0000000), wk = 0.0020661 k( 50) = ( 0.1976042 0.1976042 -0.0000000), wk = 0.0020661 k( 51) = ( 0.2016369 0.2016369 -0.0000000), wk = 0.0020661 k( 52) = ( 0.2056697 0.2056697 -0.0000000), wk = 0.0020661 k( 53) = ( 0.2097024 0.2097024 -0.0000000), wk = 0.0020661 k( 54) = ( 0.2137351 0.2137351 -0.0000000), wk = 0.0020661 k( 55) = ( 0.2177679 0.2177679 0.0000000), wk = 0.0020661 k( 56) = ( 0.2218006 0.2218006 -0.0000000), wk = 0.0020661 k( 57) = ( 0.2258333 0.2258333 0.0000000), wk = 0.0020661 k( 58) = ( 0.2298661 0.2298661 -0.0000000), wk = 0.0020661 k( 59) = ( 0.2338988 0.2338988 0.0000000), wk = 0.0020661 k( 60) = ( 0.2379315 0.2379315 -0.0000000), wk = 0.0020661 k( 61) = ( 0.2419643 0.2419643 -0.0000000), wk = 0.0020661 k( 62) = ( 0.2459970 0.2459970 -0.0000000), wk = 0.0020661 k( 63) = ( 0.2500298 0.2500298 -0.0000000), wk = 0.0020661 k( 64) = ( 0.2540625 0.2540625 -0.0000000), wk = 0.0020661 k( 65) = ( 0.2580952 0.2580952 -0.0000000), wk = 0.0020661 k( 66) = ( 0.2621280 0.2621280 -0.0000000), wk = 0.0020661 k( 67) = ( 0.2661607 0.2661607 -0.0000000), wk = 0.0020661 k( 68) = ( 0.2701935 0.2701935 -0.0000000), wk = 0.0020661 k( 69) = ( 0.2742262 0.2742262 -0.0000000), wk = 0.0020661 k( 70) = ( 0.2782589 0.2782589 0.0000000), wk = 0.0020661 k( 71) = ( 0.2822917 0.2822917 -0.0000000), wk = 0.0020661 k( 72) = ( 0.2863244 0.2863244 -0.0000000), wk = 0.0020661 k( 73) = ( 0.2903572 0.2903572 0.0000000), wk = 0.0020661 k( 74) = ( 0.2943899 0.2943899 0.0000000), wk = 0.0020661 k( 75) = ( 0.2984226 0.2984226 -0.0000000), wk = 0.0020661 k( 76) = ( 0.2984226 0.2984226 -0.0000000), wk = 0.0020661 k( 77) = ( 0.2884752 0.3051419 -0.0000000), wk = 0.0020661 k( 78) = ( 0.2785278 0.3118611 -0.0000000), wk = 0.0020661 k( 79) = ( 0.2685804 0.3185804 -0.0000000), wk = 0.0020661 k( 80) = ( 0.2586329 0.3252996 0.0000000), wk = 0.0020661 k( 81) = ( 0.2486855 0.3320188 -0.0000000), wk = 0.0020661 k( 82) = ( 0.2387381 0.3387381 -0.0000000), wk = 0.0020661 k( 83) = ( 0.2287907 0.3454573 0.0000000), wk = 0.0020661 k( 84) = ( 0.2188433 0.3521766 -0.0000000), wk = 0.0020661 k( 85) = ( 0.2088958 0.3588958 -0.0000000), wk = 0.0020661 k( 86) = ( 0.1989484 0.3656151 -0.0000000), wk = 0.0020661 k( 87) = ( 0.1890010 0.3723343 0.0000000), wk = 0.0020661 k( 88) = ( 0.1790536 0.3790536 -0.0000000), wk = 0.0020661 k( 89) = ( 0.1691062 0.3857728 0.0000000), wk = 0.0020661 k( 90) = ( 0.1591587 0.3924921 -0.0000000), wk = 0.0020661 k( 91) = ( 0.1492113 0.3992113 0.0000000), wk = 0.0020661 k( 92) = ( 0.1392639 0.4059306 0.0000000), wk = 0.0020661 k( 93) = ( 0.1293165 0.4126498 0.0000000), wk = 0.0020661 k( 94) = ( 0.1193691 0.4193691 0.0000000), wk = 0.0020661 k( 95) = ( 0.1094216 0.4260883 -0.0000000), wk = 0.0020661 k( 96) = ( 0.0994742 0.4328075 -0.0000000), wk = 0.0020661 k( 97) = ( 0.0895268 0.4395268 -0.0000000), wk = 0.0020661 k( 98) = ( 0.0795794 0.4462460 0.0000000), wk = 0.0020661 k( 99) = ( 0.0696319 0.4529653 0.0000000), wk = 0.0020661 k( 100) = ( 0.0596845 0.4596845 0.0000000), wk = 0.0020661 k( 101) = ( 0.0497371 0.4664038 0.0000000), wk = 0.0020661 k( 102) = ( 0.0397897 0.4731230 0.0000000), wk = 0.0020661 k( 103) = ( 0.0298423 0.4798423 -0.0000000), wk = 0.0020661 k( 104) = ( 0.0198948 0.4865615 -0.0000000), wk = 0.0020661 k( 105) = ( 0.0099474 0.4932807 -0.0000000), wk = 0.0020661 k( 106) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 107) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 108) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0020661 k( 109) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020661 k( 110) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0020661 k( 111) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020661 k( 112) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0020661 k( 113) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020661 k( 114) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020661 k( 115) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020661 k( 116) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0020661 k( 117) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020661 k( 118) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0020661 k( 119) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020661 k( 120) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0020661 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 122) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 123) = ( 0.0099474 0.4932807 0.5000000), wk = 0.0020661 k( 124) = ( 0.0198948 0.4865615 0.5000000), wk = 0.0020661 k( 125) = ( 0.0298423 0.4798423 0.5000000), wk = 0.0020661 k( 126) = ( 0.0397897 0.4731230 0.5000000), wk = 0.0020661 k( 127) = ( 0.0497371 0.4664038 0.5000000), wk = 0.0020661 k( 128) = ( 0.0596845 0.4596845 0.5000000), wk = 0.0020661 k( 129) = ( 0.0696319 0.4529653 0.5000000), wk = 0.0020661 k( 130) = ( 0.0795794 0.4462460 0.5000000), wk = 0.0020661 k( 131) = ( 0.0895268 0.4395268 0.5000000), wk = 0.0020661 k( 132) = ( 0.0994742 0.4328075 0.5000000), wk = 0.0020661 k( 133) = ( 0.1094216 0.4260883 0.5000000), wk = 0.0020661 k( 134) = ( 0.1193691 0.4193691 0.5000000), wk = 0.0020661 k( 135) = ( 0.1293165 0.4126498 0.5000000), wk = 0.0020661 k( 136) = ( 0.1392639 0.4059306 0.5000000), wk = 0.0020661 k( 137) = ( 0.1492113 0.3992113 0.5000000), wk = 0.0020661 k( 138) = ( 0.1591587 0.3924921 0.5000000), wk = 0.0020661 k( 139) = ( 0.1691062 0.3857728 0.5000000), wk = 0.0020661 k( 140) = ( 0.1790536 0.3790536 0.5000000), wk = 0.0020661 k( 141) = ( 0.1890010 0.3723343 0.5000000), wk = 0.0020661 k( 142) = ( 0.1989484 0.3656151 0.5000000), wk = 0.0020661 k( 143) = ( 0.2088958 0.3588958 0.5000000), wk = 0.0020661 k( 144) = ( 0.2188433 0.3521766 0.5000000), wk = 0.0020661 k( 145) = ( 0.2287907 0.3454573 0.5000000), wk = 0.0020661 k( 146) = ( 0.2387381 0.3387381 0.5000000), wk = 0.0020661 k( 147) = ( 0.2486855 0.3320188 0.5000000), wk = 0.0020661 k( 148) = ( 0.2586329 0.3252996 0.5000000), wk = 0.0020661 k( 149) = ( 0.2685804 0.3185804 0.5000000), wk = 0.0020661 k( 150) = ( 0.2785278 0.3118611 0.5000000), wk = 0.0020661 k( 151) = ( 0.2884752 0.3051419 0.5000000), wk = 0.0020661 k( 152) = ( 0.2984226 0.2984226 0.5000000), wk = 0.0020661 k( 153) = ( 0.2984226 0.2984226 0.5000000), wk = 0.0020661 k( 154) = ( 0.2943899 0.2943899 0.5000000), wk = 0.0020661 k( 155) = ( 0.2903572 0.2903572 0.5000000), wk = 0.0020661 k( 156) = ( 0.2863244 0.2863244 0.5000000), wk = 0.0020661 k( 157) = ( 0.2822917 0.2822917 0.5000000), wk = 0.0020661 k( 158) = ( 0.2782589 0.2782589 0.5000000), wk = 0.0020661 k( 159) = ( 0.2742262 0.2742262 0.5000000), wk = 0.0020661 k( 160) = ( 0.2701935 0.2701935 0.5000000), wk = 0.0020661 k( 161) = ( 0.2661607 0.2661607 0.5000000), wk = 0.0020661 k( 162) = ( 0.2621280 0.2621280 0.5000000), wk = 0.0020661 k( 163) = ( 0.2580952 0.2580952 0.5000000), wk = 0.0020661 k( 164) = ( 0.2540625 0.2540625 0.5000000), wk = 0.0020661 k( 165) = ( 0.2500298 0.2500298 0.5000000), wk = 0.0020661 k( 166) = ( 0.2459970 0.2459970 0.5000000), wk = 0.0020661 k( 167) = ( 0.2419643 0.2419643 0.5000000), wk = 0.0020661 k( 168) = ( 0.2379315 0.2379315 0.5000000), wk = 0.0020661 k( 169) = ( 0.2338988 0.2338988 0.5000000), wk = 0.0020661 k( 170) = ( 0.2298661 0.2298661 0.5000000), wk = 0.0020661 k( 171) = ( 0.2258333 0.2258333 0.5000000), wk = 0.0020661 k( 172) = ( 0.2218006 0.2218006 0.5000000), wk = 0.0020661 k( 173) = ( 0.2177679 0.2177679 0.5000000), wk = 0.0020661 k( 174) = ( 0.2137351 0.2137351 0.5000000), wk = 0.0020661 k( 175) = ( 0.2097024 0.2097024 0.5000000), wk = 0.0020661 k( 176) = ( 0.2056697 0.2056697 0.5000000), wk = 0.0020661 k( 177) = ( 0.2016369 0.2016369 0.5000000), wk = 0.0020661 k( 178) = ( 0.1976042 0.1976042 0.5000000), wk = 0.0020661 k( 179) = ( 0.1935714 0.1935714 0.5000000), wk = 0.0020661 k( 180) = ( 0.1895387 0.1895387 0.5000000), wk = 0.0020661 k( 181) = ( 0.1855060 0.1855060 0.5000000), wk = 0.0020661 k( 182) = ( 0.1814732 0.1814732 0.5000000), wk = 0.0020661 k( 183) = ( 0.1774405 0.1774405 0.5000000), wk = 0.0020661 k( 184) = ( 0.1734077 0.1734077 0.5000000), wk = 0.0020661 k( 185) = ( 0.1693750 0.1693750 0.5000000), wk = 0.0020661 k( 186) = ( 0.1653423 0.1653423 0.5000000), wk = 0.0020661 k( 187) = ( 0.1613095 0.1613095 0.5000000), wk = 0.0020661 k( 188) = ( 0.1572768 0.1572768 0.5000000), wk = 0.0020661 k( 189) = ( 0.1532440 0.1532440 0.5000000), wk = 0.0020661 k( 190) = ( 0.1492113 0.1492113 0.5000000), wk = 0.0020661 k( 191) = ( 0.1451786 0.1451786 0.5000000), wk = 0.0020661 k( 192) = ( 0.1411458 0.1411458 0.5000000), wk = 0.0020661 k( 193) = ( 0.1371131 0.1371131 0.5000000), wk = 0.0020661 k( 194) = ( 0.1330804 0.1330804 0.5000000), wk = 0.0020661 k( 195) = ( 0.1290476 0.1290476 0.5000000), wk = 0.0020661 k( 196) = ( 0.1250149 0.1250149 0.5000000), wk = 0.0020661 k( 197) = ( 0.1209821 0.1209821 0.5000000), wk = 0.0020661 k( 198) = ( 0.1169494 0.1169494 0.5000000), wk = 0.0020661 k( 199) = ( 0.1129167 0.1129167 0.5000000), wk = 0.0020661 k( 200) = ( 0.1088839 0.1088839 0.5000000), wk = 0.0020661 k( 201) = ( 0.1048512 0.1048512 0.5000000), wk = 0.0020661 k( 202) = ( 0.1008185 0.1008184 0.5000000), wk = 0.0020661 k( 203) = ( 0.0967857 0.0967857 0.5000000), wk = 0.0020661 k( 204) = ( 0.0927530 0.0927530 0.5000000), wk = 0.0020661 k( 205) = ( 0.0887202 0.0887202 0.5000000), wk = 0.0020661 k( 206) = ( 0.0846875 0.0846875 0.5000000), wk = 0.0020661 k( 207) = ( 0.0806548 0.0806548 0.5000000), wk = 0.0020661 k( 208) = ( 0.0766220 0.0766220 0.5000000), wk = 0.0020661 k( 209) = ( 0.0725893 0.0725893 0.5000000), wk = 0.0020661 k( 210) = ( 0.0685565 0.0685565 0.5000000), wk = 0.0020661 k( 211) = ( 0.0645238 0.0645238 0.5000000), wk = 0.0020661 k( 212) = ( 0.0604911 0.0604911 0.5000000), wk = 0.0020661 k( 213) = ( 0.0564583 0.0564583 0.5000000), wk = 0.0020661 k( 214) = ( 0.0524256 0.0524256 0.5000000), wk = 0.0020661 k( 215) = ( 0.0483929 0.0483929 0.5000000), wk = 0.0020661 k( 216) = ( 0.0443601 0.0443601 0.5000000), wk = 0.0020661 k( 217) = ( 0.0403274 0.0403274 0.5000000), wk = 0.0020661 k( 218) = ( 0.0362946 0.0362946 0.5000000), wk = 0.0020661 k( 219) = ( 0.0322619 0.0322619 0.5000000), wk = 0.0020661 k( 220) = ( 0.0282292 0.0282292 0.5000000), wk = 0.0020661 k( 221) = ( 0.0241964 0.0241964 0.5000000), wk = 0.0020661 k( 222) = ( 0.0201637 0.0201637 0.5000000), wk = 0.0020661 k( 223) = ( 0.0161310 0.0161309 0.5000000), wk = 0.0020661 k( 224) = ( 0.0120982 0.0120982 0.5000000), wk = 0.0020661 k( 225) = ( 0.0080655 0.0080655 0.5000000), wk = 0.0020661 k( 226) = ( 0.0040327 0.0040327 0.5000000), wk = 0.0020661 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 229) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0020661 k( 230) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 231) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0020661 k( 232) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 233) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0020661 k( 234) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 235) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020661 k( 236) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 237) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0020661 k( 238) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 239) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0020661 k( 240) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 241) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0020661 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 244) = ( -0.0092593 0.0092593 0.0000000), wk = 0.0020661 k( 245) = ( -0.0185185 0.0185185 0.0000000), wk = 0.0020661 k( 246) = ( -0.0277778 0.0277778 0.0000000), wk = 0.0020661 k( 247) = ( -0.0370370 0.0370370 0.0000000), wk = 0.0020661 k( 248) = ( -0.0462963 0.0462963 0.0000000), wk = 0.0020661 k( 249) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0020661 k( 250) = ( -0.0648148 0.0648148 0.0000000), wk = 0.0020661 k( 251) = ( -0.0740741 0.0740741 0.0000000), wk = 0.0020661 k( 252) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0020661 k( 253) = ( -0.0925926 0.0925926 0.0000000), wk = 0.0020661 k( 254) = ( -0.1018518 0.1018519 0.0000000), wk = 0.0020661 k( 255) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0020661 k( 256) = ( -0.1203704 0.1203704 0.0000000), wk = 0.0020661 k( 257) = ( -0.1296296 0.1296296 0.0000000), wk = 0.0020661 k( 258) = ( -0.1388889 0.1388889 0.0000000), wk = 0.0020661 k( 259) = ( -0.1481482 0.1481482 0.0000000), wk = 0.0020661 k( 260) = ( -0.1574074 0.1574074 0.0000000), wk = 0.0020661 k( 261) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0020661 k( 262) = ( -0.1759259 0.1759259 0.0000000), wk = 0.0020661 k( 263) = ( -0.1851852 0.1851852 0.0000000), wk = 0.0020661 k( 264) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0020661 k( 265) = ( -0.2037037 0.2037037 0.0000000), wk = 0.0020661 k( 266) = ( -0.2129630 0.2129630 0.0000000), wk = 0.0020661 k( 267) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0020661 k( 268) = ( -0.2314815 0.2314815 0.0000000), wk = 0.0020661 k( 269) = ( -0.2407407 0.2407407 0.0000000), wk = 0.0020661 k( 270) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0020661 k( 271) = ( -0.2592593 0.2592593 0.0000000), wk = 0.0020661 k( 272) = ( -0.2685185 0.2685185 0.0000000), wk = 0.0020661 k( 273) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0020661 k( 274) = ( -0.2870370 0.2870370 0.0000000), wk = 0.0020661 k( 275) = ( -0.2962963 0.2962963 0.0000000), wk = 0.0020661 k( 276) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0020661 k( 277) = ( -0.3148148 0.3148148 0.0000000), wk = 0.0020661 k( 278) = ( -0.3240741 0.3240741 0.0000000), wk = 0.0020661 k( 279) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0020661 k( 280) = ( -0.3425926 0.3425926 0.0000000), wk = 0.0020661 k( 281) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0020661 k( 282) = ( -0.3611111 0.3611111 0.0000000), wk = 0.0020661 k( 283) = ( -0.3703704 0.3703704 0.0000000), wk = 0.0020661 k( 284) = ( -0.3796296 0.3796296 0.0000000), wk = 0.0020661 k( 285) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0020661 k( 286) = ( -0.3981481 0.3981481 0.0000000), wk = 0.0020661 k( 287) = ( -0.4074074 0.4074074 0.0000000), wk = 0.0020661 k( 288) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0020661 k( 289) = ( -0.4259259 0.4259259 0.0000000), wk = 0.0020661 k( 290) = ( -0.4351852 0.4351852 0.0000000), wk = 0.0020661 k( 291) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0020661 k( 292) = ( -0.4537037 0.4537037 0.0000000), wk = 0.0020661 k( 293) = ( -0.4629630 0.4629630 0.0000000), wk = 0.0020661 k( 294) = ( -0.4722222 0.4722222 0.0000000), wk = 0.0020661 k( 295) = ( -0.4814815 0.4814815 0.0000000), wk = 0.0020661 k( 296) = ( -0.4907407 0.4907407 0.0000000), wk = 0.0020661 k( 297) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 298) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 299) = ( -0.4959685 0.5040315 0.0000000), wk = 0.0020661 k( 300) = ( -0.4919369 0.5080631 0.0000000), wk = 0.0020661 k( 301) = ( -0.4879054 0.5120946 0.0000000), wk = 0.0020661 k( 302) = ( -0.4838738 0.5161262 0.0000000), wk = 0.0020661 k( 303) = ( -0.4798423 0.5201577 0.0000000), wk = 0.0020661 k( 304) = ( -0.4758107 0.5241893 0.0000000), wk = 0.0020661 k( 305) = ( -0.4717792 0.5282208 0.0000000), wk = 0.0020661 k( 306) = ( -0.4677476 0.5322524 0.0000000), wk = 0.0020661 k( 307) = ( -0.4637161 0.5362839 0.0000000), wk = 0.0020661 k( 308) = ( -0.4596845 0.5403155 0.0000000), wk = 0.0020661 k( 309) = ( -0.4556530 0.5443470 0.0000000), wk = 0.0020661 k( 310) = ( -0.4516214 0.5483786 0.0000000), wk = 0.0020661 k( 311) = ( -0.4475899 0.5524101 0.0000000), wk = 0.0020661 k( 312) = ( -0.4435583 0.5564417 -0.0000000), wk = 0.0020661 k( 313) = ( -0.4395268 0.5604732 0.0000000), wk = 0.0020661 k( 314) = ( -0.4354952 0.5645048 0.0000000), wk = 0.0020661 k( 315) = ( -0.4314637 0.5685363 0.0000000), wk = 0.0020661 k( 316) = ( -0.4274321 0.5725679 0.0000000), wk = 0.0020661 k( 317) = ( -0.4234006 0.5765994 0.0000000), wk = 0.0020661 k( 318) = ( -0.4193691 0.5806309 0.0000000), wk = 0.0020661 k( 319) = ( -0.4153375 0.5846625 0.0000000), wk = 0.0020661 k( 320) = ( -0.4113059 0.5886940 0.0000000), wk = 0.0020661 k( 321) = ( -0.4072744 0.5927256 0.0000000), wk = 0.0020661 k( 322) = ( -0.4032429 0.5967571 0.0000000), wk = 0.0020661 k( 323) = ( -0.3992113 0.6007887 0.0000000), wk = 0.0020661 k( 324) = ( -0.3951798 0.6048202 0.0000000), wk = 0.0020661 k( 325) = ( -0.3911482 0.6088518 0.0000000), wk = 0.0020661 k( 326) = ( -0.3871167 0.6128833 0.0000000), wk = 0.0020661 k( 327) = ( -0.3830851 0.6169149 -0.0000000), wk = 0.0020661 k( 328) = ( -0.3790536 0.6209464 0.0000000), wk = 0.0020661 k( 329) = ( -0.3750220 0.6249780 0.0000000), wk = 0.0020661 k( 330) = ( -0.3709905 0.6290095 0.0000000), wk = 0.0020661 k( 331) = ( -0.3669589 0.6330411 -0.0000000), wk = 0.0020661 k( 332) = ( -0.3629274 0.6370726 0.0000000), wk = 0.0020661 k( 333) = ( -0.3588958 0.6411042 0.0000000), wk = 0.0020661 k( 334) = ( -0.3548643 0.6451357 -0.0000000), wk = 0.0020661 k( 335) = ( -0.3508327 0.6491673 0.0000000), wk = 0.0020661 k( 336) = ( -0.3468012 0.6531988 -0.0000000), wk = 0.0020661 k( 337) = ( -0.3427696 0.6572303 0.0000000), wk = 0.0020661 k( 338) = ( -0.3387381 0.6612619 0.0000000), wk = 0.0020661 k( 339) = ( -0.3347065 0.6652935 0.0000000), wk = 0.0020661 k( 340) = ( -0.3306750 0.6693250 0.0000000), wk = 0.0020661 k( 341) = ( -0.3266435 0.6733565 0.0000000), wk = 0.0020661 k( 342) = ( -0.3226119 0.6773881 0.0000000), wk = 0.0020661 k( 343) = ( -0.3185804 0.6814196 0.0000000), wk = 0.0020661 k( 344) = ( -0.3145488 0.6854512 0.0000000), wk = 0.0020661 k( 345) = ( -0.3105173 0.6894827 0.0000000), wk = 0.0020661 k( 346) = ( -0.3064857 0.6935143 0.0000000), wk = 0.0020661 k( 347) = ( -0.3024542 0.6975458 0.0000000), wk = 0.0020661 k( 348) = ( -0.2984226 0.7015774 0.0000000), wk = 0.0020661 k( 349) = ( -0.2984226 0.7015774 0.0000000), wk = 0.0020661 k( 350) = ( -0.2984226 0.7015774 0.0357143), wk = 0.0020661 k( 351) = ( -0.2984226 0.7015774 0.0714286), wk = 0.0020661 k( 352) = ( -0.2984226 0.7015774 0.1071429), wk = 0.0020661 k( 353) = ( -0.2984226 0.7015774 0.1428571), wk = 0.0020661 k( 354) = ( -0.2984226 0.7015774 0.1785714), wk = 0.0020661 k( 355) = ( -0.2984226 0.7015774 0.2142857), wk = 0.0020661 k( 356) = ( -0.2984226 0.7015774 0.2500000), wk = 0.0020661 k( 357) = ( -0.2984226 0.7015774 0.2857143), wk = 0.0020661 k( 358) = ( -0.2984226 0.7015774 0.3214286), wk = 0.0020661 k( 359) = ( -0.2984226 0.7015774 0.3571429), wk = 0.0020661 k( 360) = ( -0.2984226 0.7015774 0.3928571), wk = 0.0020661 k( 361) = ( -0.2984226 0.7015774 0.4285714), wk = 0.0020661 k( 362) = ( -0.2984226 0.7015774 0.4642857), wk = 0.0020661 k( 363) = ( -0.2984226 0.7015774 0.5000000), wk = 0.0020661 k( 364) = ( -0.2984226 0.7015774 0.5000000), wk = 0.0020661 k( 365) = ( -0.3024542 0.6975458 0.5000000), wk = 0.0020661 k( 366) = ( -0.3064857 0.6935143 0.5000000), wk = 0.0020661 k( 367) = ( -0.3105173 0.6894827 0.5000000), wk = 0.0020661 k( 368) = ( -0.3145488 0.6854512 0.5000000), wk = 0.0020661 k( 369) = ( -0.3185804 0.6814196 0.5000000), wk = 0.0020661 k( 370) = ( -0.3226119 0.6773881 0.5000000), wk = 0.0020661 k( 371) = ( -0.3266435 0.6733565 0.5000000), wk = 0.0020661 k( 372) = ( -0.3306750 0.6693250 0.5000000), wk = 0.0020661 k( 373) = ( -0.3347065 0.6652935 0.5000000), wk = 0.0020661 k( 374) = ( -0.3387381 0.6612619 0.5000000), wk = 0.0020661 k( 375) = ( -0.3427696 0.6572303 0.5000000), wk = 0.0020661 k( 376) = ( -0.3468012 0.6531988 0.5000000), wk = 0.0020661 k( 377) = ( -0.3508327 0.6491673 0.5000000), wk = 0.0020661 k( 378) = ( -0.3548643 0.6451357 0.5000000), wk = 0.0020661 k( 379) = ( -0.3588958 0.6411042 0.5000000), wk = 0.0020661 k( 380) = ( -0.3629274 0.6370726 0.5000000), wk = 0.0020661 k( 381) = ( -0.3669589 0.6330411 0.5000000), wk = 0.0020661 k( 382) = ( -0.3709905 0.6290095 0.5000000), wk = 0.0020661 k( 383) = ( -0.3750220 0.6249780 0.5000000), wk = 0.0020661 k( 384) = ( -0.3790536 0.6209464 0.5000000), wk = 0.0020661 k( 385) = ( -0.3830851 0.6169149 0.5000000), wk = 0.0020661 k( 386) = ( -0.3871167 0.6128833 0.5000000), wk = 0.0020661 k( 387) = ( -0.3911482 0.6088518 0.5000000), wk = 0.0020661 k( 388) = ( -0.3951798 0.6048202 0.5000000), wk = 0.0020661 k( 389) = ( -0.3992113 0.6007887 0.5000000), wk = 0.0020661 k( 390) = ( -0.4032429 0.5967571 0.5000000), wk = 0.0020661 k( 391) = ( -0.4072744 0.5927256 0.5000000), wk = 0.0020661 k( 392) = ( -0.4113059 0.5886940 0.5000000), wk = 0.0020661 k( 393) = ( -0.4153375 0.5846625 0.5000000), wk = 0.0020661 k( 394) = ( -0.4193691 0.5806309 0.5000000), wk = 0.0020661 k( 395) = ( -0.4234006 0.5765994 0.5000000), wk = 0.0020661 k( 396) = ( -0.4274321 0.5725679 0.5000000), wk = 0.0020661 k( 397) = ( -0.4314637 0.5685363 0.5000000), wk = 0.0020661 k( 398) = ( -0.4354952 0.5645048 0.5000000), wk = 0.0020661 k( 399) = ( -0.4395268 0.5604732 0.5000000), wk = 0.0020661 k( 400) = ( -0.4435583 0.5564417 0.5000000), wk = 0.0020661 k( 401) = ( -0.4475899 0.5524101 0.5000000), wk = 0.0020661 k( 402) = ( -0.4516214 0.5483786 0.5000000), wk = 0.0020661 k( 403) = ( -0.4556530 0.5443470 0.5000000), wk = 0.0020661 k( 404) = ( -0.4596845 0.5403155 0.5000000), wk = 0.0020661 k( 405) = ( -0.4637161 0.5362839 0.5000000), wk = 0.0020661 k( 406) = ( -0.4677476 0.5322524 0.5000000), wk = 0.0020661 k( 407) = ( -0.4717792 0.5282208 0.5000000), wk = 0.0020661 k( 408) = ( -0.4758107 0.5241893 0.5000000), wk = 0.0020661 k( 409) = ( -0.4798423 0.5201577 0.5000000), wk = 0.0020661 k( 410) = ( -0.4838738 0.5161262 0.5000000), wk = 0.0020661 k( 411) = ( -0.4879054 0.5120946 0.5000000), wk = 0.0020661 k( 412) = ( -0.4919369 0.5080631 0.5000000), wk = 0.0020661 k( 413) = ( -0.4959685 0.5040315 0.5000000), wk = 0.0020661 k( 414) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 415) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 416) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0020661 k( 417) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0020661 k( 418) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0020661 k( 419) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0020661 k( 420) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0020661 k( 421) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0020661 k( 422) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0020661 k( 423) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0020661 k( 424) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0020661 k( 425) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0020661 k( 426) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0020661 k( 427) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0020661 k( 428) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0020661 k( 429) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 430) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 431) = ( -0.0092593 0.0092593 0.5000000), wk = 0.0020661 k( 432) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0020661 k( 433) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0020661 k( 434) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0020661 k( 435) = ( -0.0462963 0.0462963 0.5000000), wk = 0.0020661 k( 436) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0020661 k( 437) = ( -0.0648148 0.0648148 0.5000000), wk = 0.0020661 k( 438) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0020661 k( 439) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0020661 k( 440) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0020661 k( 441) = ( -0.1018518 0.1018519 0.5000000), wk = 0.0020661 k( 442) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0020661 k( 443) = ( -0.1203704 0.1203704 0.5000000), wk = 0.0020661 k( 444) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0020661 k( 445) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0020661 k( 446) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0020661 k( 447) = ( -0.1574074 0.1574074 0.5000000), wk = 0.0020661 k( 448) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0020661 k( 449) = ( -0.1759259 0.1759259 0.5000000), wk = 0.0020661 k( 450) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0020661 k( 451) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0020661 k( 452) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0020661 k( 453) = ( -0.2129630 0.2129630 0.5000000), wk = 0.0020661 k( 454) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0020661 k( 455) = ( -0.2314815 0.2314815 0.5000000), wk = 0.0020661 k( 456) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0020661 k( 457) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0020661 k( 458) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0020661 k( 459) = ( -0.2685185 0.2685185 0.5000000), wk = 0.0020661 k( 460) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0020661 k( 461) = ( -0.2870370 0.2870370 0.5000000), wk = 0.0020661 k( 462) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0020661 k( 463) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0020661 k( 464) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0020661 k( 465) = ( -0.3240741 0.3240741 0.5000000), wk = 0.0020661 k( 466) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0020661 k( 467) = ( -0.3425926 0.3425926 0.5000000), wk = 0.0020661 k( 468) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0020661 k( 469) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0020661 k( 470) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0020661 k( 471) = ( -0.3796296 0.3796296 0.5000000), wk = 0.0020661 k( 472) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0020661 k( 473) = ( -0.3981481 0.3981481 0.5000000), wk = 0.0020661 k( 474) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0020661 k( 475) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0020661 k( 476) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0020661 k( 477) = ( -0.4351852 0.4351852 0.5000000), wk = 0.0020661 k( 478) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0020661 k( 479) = ( -0.4537037 0.4537037 0.5000000), wk = 0.0020661 k( 480) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0020661 k( 481) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0020661 k( 482) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0020661 k( 483) = ( -0.4907407 0.4907407 0.5000000), wk = 0.0020661 k( 484) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 60065 G-vectors FFT dimensions: ( 36, 36, 135) Smooth grid: 26589 G-vectors FFT dimensions: ( 27, 27, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 228, 20) NL pseudopotentials 0.05 Mb ( 114, 28) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1669) G-vector shells 0.01 Mb ( 844) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 228, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 28, 2, 20) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat negative rho (up, down): 1.312E-06 0.000E+00 Starting wfc are 16 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.1 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.3 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.4 secs Computing kpt #: 15 total cpu time spent up to now is 2.5 secs Computing kpt #: 16 total cpu time spent up to now is 2.5 secs Computing kpt #: 17 total cpu time spent up to now is 2.6 secs Computing kpt #: 18 total cpu time spent up to now is 2.7 secs Computing kpt #: 19 total cpu time spent up to now is 2.8 secs Computing kpt #: 20 total cpu time spent up to now is 2.9 secs Computing kpt #: 21 total cpu time spent up to now is 3.0 secs Computing kpt #: 22 total cpu time spent up to now is 3.1 secs Computing kpt #: 23 total cpu time spent up to now is 3.2 secs Computing kpt #: 24 total cpu time spent up to now is 3.3 secs Computing kpt #: 25 total cpu time spent up to now is 3.4 secs Computing kpt #: 26 total cpu time spent up to now is 3.5 secs Computing kpt #: 27 total cpu time spent up to now is 3.6 secs Computing kpt #: 28 total cpu time spent up to now is 3.7 secs Computing kpt #: 29 total cpu time spent up to now is 3.8 secs Computing kpt #: 30 total cpu time spent up to now is 3.8 secs Computing kpt #: 31 total cpu time spent up to now is 3.9 secs Computing kpt #: 32 total cpu time spent up to now is 4.0 secs Computing kpt #: 33 total cpu time spent up to now is 4.1 secs Computing kpt #: 34 total cpu time spent up to now is 4.2 secs Computing kpt #: 35 total cpu time spent up to now is 4.3 secs Computing kpt #: 36 total cpu time spent up to now is 4.4 secs Computing kpt #: 37 total cpu time spent up to now is 4.5 secs Computing kpt #: 38 total cpu time spent up to now is 4.6 secs Computing kpt #: 39 total cpu time spent up to now is 4.7 secs Computing kpt #: 40 total cpu time spent up to now is 4.8 secs Computing kpt #: 41 total cpu time spent up to now is 4.9 secs Computing kpt #: 42 total cpu time spent up to now is 5.0 secs Computing kpt #: 43 total cpu time spent up to now is 5.1 secs Computing kpt #: 44 total cpu time spent up to now is 5.2 secs Computing kpt #: 45 total cpu time spent up to now is 5.3 secs Computing kpt #: 46 total cpu time spent up to now is 5.4 secs Computing kpt #: 47 total cpu time spent up to now is 5.5 secs Computing kpt #: 48 total cpu time spent up to now is 5.6 secs Computing kpt #: 49 total cpu time spent up to now is 5.7 secs Computing kpt #: 50 total cpu time spent up to now is 5.9 secs Computing kpt #: 51 total cpu time spent up to now is 6.0 secs Computing kpt #: 52 total cpu time spent up to now is 6.1 secs Computing kpt #: 53 total cpu time spent up to now is 6.2 secs Computing kpt #: 54 total cpu time spent up to now is 6.3 secs Computing kpt #: 55 total cpu time spent up to now is 6.4 secs Computing kpt #: 56 total cpu time spent up to now is 6.5 secs Computing kpt #: 57 total cpu time spent up to now is 6.6 secs Computing kpt #: 58 total cpu time spent up to now is 6.8 secs Computing kpt #: 59 total cpu time spent up to now is 6.9 secs Computing kpt #: 60 total cpu time spent up to now is 7.0 secs Computing kpt #: 61 total cpu time spent up to now is 7.1 secs Computing kpt #: 62 total cpu time spent up to now is 7.2 secs Computing kpt #: 63 total cpu time spent up to now is 7.4 secs Computing kpt #: 64 total cpu time spent up to now is 7.5 secs Computing kpt #: 65 total cpu time spent up to now is 7.6 secs Computing kpt #: 66 total cpu time spent up to now is 7.8 secs Computing kpt #: 67 total cpu time spent up to now is 7.9 secs Computing kpt #: 68 total cpu time spent up to now is 8.1 secs Computing kpt #: 69 total cpu time spent up to now is 8.2 secs Computing kpt #: 70 total cpu time spent up to now is 8.4 secs Computing kpt #: 71 total cpu time spent up to now is 8.6 secs Computing kpt #: 72 total cpu time spent up to now is 8.9 secs Computing kpt #: 73 total cpu time spent up to now is 9.2 secs Computing kpt #: 74 total cpu time spent up to now is 9.5 secs Computing kpt #: 75 total cpu time spent up to now is 9.7 secs Computing kpt #: 76 total cpu time spent up to now is 9.9 secs Computing kpt #: 77 total cpu time spent up to now is 10.2 secs Computing kpt #: 78 total cpu time spent up to now is 10.5 secs Computing kpt #: 79 total cpu time spent up to now is 11.0 secs Computing kpt #: 80 total cpu time spent up to now is 11.3 secs Computing kpt #: 81 total cpu time spent up to now is 11.6 secs Computing kpt #: 82 total cpu time spent up to now is 11.9 secs Computing kpt #: 83 total cpu time spent up to now is 12.2 secs Computing kpt #: 84 total cpu time spent up to now is 12.5 secs Computing kpt #: 85 total cpu time spent up to now is 12.8 secs Computing kpt #: 86 total cpu time spent up to now is 13.1 secs Computing kpt #: 87 total cpu time spent up to now is 13.4 secs Computing kpt #: 88 total cpu time spent up to now is 13.7 secs Computing kpt #: 89 total cpu time spent up to now is 14.0 secs Computing kpt #: 90 total cpu time spent up to now is 14.3 secs Computing kpt #: 91 total cpu time spent up to now is 14.6 secs Computing kpt #: 92 total cpu time spent up to now is 14.9 secs Computing kpt #: 93 total cpu time spent up to now is 15.2 secs Computing kpt #: 94 total cpu time spent up to now is 15.4 secs Computing kpt #: 95 total cpu time spent up to now is 15.8 secs Computing kpt #: 96 total cpu time spent up to now is 16.1 secs Computing kpt #: 97 total cpu time spent up to now is 16.4 secs Computing kpt #: 98 total cpu time spent up to now is 16.8 secs Computing kpt #: 99 total cpu time spent up to now is 17.1 secs Computing kpt #: 100 total cpu time spent up to now is 17.4 secs Computing kpt #: 101 total cpu time spent up to now is 17.8 secs Computing kpt #: 102 total cpu time spent up to now is 18.1 secs Computing kpt #: 103 total cpu time spent up to now is 18.4 secs Computing kpt #: 104 total cpu time spent up to now is 18.7 secs Computing kpt #: 105 total cpu time spent up to now is 19.0 secs Computing kpt #: 106 total cpu time spent up to now is 19.3 secs Computing kpt #: 107 total cpu time spent up to now is 19.6 secs Computing kpt #: 108 total cpu time spent up to now is 19.9 secs Computing kpt #: 109 total cpu time spent up to now is 20.2 secs Computing kpt #: 110 total cpu time spent up to now is 20.4 secs Computing kpt #: 111 total cpu time spent up to now is 20.7 secs Computing kpt #: 112 total cpu time spent up to now is 21.0 secs Computing kpt #: 113 total cpu time spent up to now is 21.2 secs Computing kpt #: 114 total cpu time spent up to now is 21.5 secs Computing kpt #: 115 total cpu time spent up to now is 21.7 secs Computing kpt #: 116 total cpu time spent up to now is 22.0 secs Computing kpt #: 117 total cpu time spent up to now is 22.2 secs Computing kpt #: 118 total cpu time spent up to now is 22.4 secs Computing kpt #: 119 total cpu time spent up to now is 22.6 secs Computing kpt #: 120 total cpu time spent up to now is 22.8 secs Computing kpt #: 121 total cpu time spent up to now is 23.0 secs Computing kpt #: 122 total cpu time spent up to now is 23.2 secs Computing kpt #: 123 total cpu time spent up to now is 23.4 secs Computing kpt #: 124 total cpu time spent up to now is 23.6 secs Computing kpt #: 125 total cpu time spent up to now is 23.8 secs Computing kpt #: 126 total cpu time spent up to now is 24.0 secs Computing kpt #: 127 total cpu time spent up to now is 24.2 secs Computing kpt #: 128 total cpu time spent up to now is 24.4 secs Computing kpt #: 129 total cpu time spent up to now is 24.6 secs Computing kpt #: 130 total cpu time spent up to now is 24.7 secs Computing kpt #: 131 total cpu time spent up to now is 25.0 secs Computing kpt #: 132 total cpu time spent up to now is 25.2 secs Computing kpt #: 133 total cpu time spent up to now is 25.4 secs Computing kpt #: 134 total cpu time spent up to now is 25.6 secs Computing kpt #: 135 total cpu time spent up to now is 25.8 secs Computing kpt #: 136 total cpu time spent up to now is 26.0 secs Computing kpt #: 137 total cpu time spent up to now is 26.2 secs Computing kpt #: 138 total cpu time spent up to now is 26.4 secs Computing kpt #: 139 total cpu time spent up to now is 26.6 secs Computing kpt #: 140 total cpu time spent up to now is 26.8 secs Computing kpt #: 141 total cpu time spent up to now is 27.1 secs Computing kpt #: 142 total cpu time spent up to now is 27.3 secs Computing kpt #: 143 total cpu time spent up to now is 27.5 secs Computing kpt #: 144 total cpu time spent up to now is 27.8 secs Computing kpt #: 145 total cpu time spent up to now is 28.0 secs Computing kpt #: 146 total cpu time spent up to now is 28.2 secs Computing kpt #: 147 total cpu time spent up to now is 28.4 secs Computing kpt #: 148 total cpu time spent up to now is 28.7 secs Computing kpt #: 149 total cpu time spent up to now is 28.9 secs Computing kpt #: 150 total cpu time spent up to now is 29.2 secs Computing kpt #: 151 total cpu time spent up to now is 29.4 secs Computing kpt #: 152 total cpu time spent up to now is 29.6 secs Computing kpt #: 153 total cpu time spent up to now is 29.8 secs Computing kpt #: 154 total cpu time spent up to now is 30.1 secs Computing kpt #: 155 total cpu time spent up to now is 30.3 secs Computing kpt #: 156 total cpu time spent up to now is 30.5 secs Computing kpt #: 157 total cpu time spent up to now is 30.7 secs Computing kpt #: 158 total cpu time spent up to now is 30.9 secs Computing kpt #: 159 total cpu time spent up to now is 31.0 secs Computing kpt #: 160 total cpu time spent up to now is 31.2 secs Computing kpt #: 161 total cpu time spent up to now is 31.3 secs Computing kpt #: 162 total cpu time spent up to now is 31.5 secs Computing kpt #: 163 total cpu time spent up to now is 31.6 secs Computing kpt #: 164 total cpu time spent up to now is 31.7 secs Computing kpt #: 165 total cpu time spent up to now is 31.8 secs Computing kpt #: 166 total cpu time spent up to now is 31.9 secs Computing kpt #: 167 total cpu time spent up to now is 32.5 secs Computing kpt #: 168 total cpu time spent up to now is 32.6 secs Computing kpt #: 169 total cpu time spent up to now is 32.7 secs Computing kpt #: 170 total cpu time spent up to now is 32.8 secs Computing kpt #: 171 total cpu time spent up to now is 32.9 secs Computing kpt #: 172 total cpu time spent up to now is 33.0 secs Computing kpt #: 173 total cpu time spent up to now is 33.1 secs Computing kpt #: 174 total cpu time spent up to now is 33.1 secs Computing kpt #: 175 total cpu time spent up to now is 33.2 secs Computing kpt #: 176 total cpu time spent up to now is 33.3 secs Computing kpt #: 177 total cpu time spent up to now is 33.4 secs Computing kpt #: 178 total cpu time spent up to now is 33.5 secs Computing kpt #: 179 total cpu time spent up to now is 33.6 secs Computing kpt #: 180 total cpu time spent up to now is 33.7 secs Computing kpt #: 181 total cpu time spent up to now is 33.8 secs Computing kpt #: 182 total cpu time spent up to now is 33.9 secs Computing kpt #: 183 total cpu time spent up to now is 34.0 secs Computing kpt #: 184 total cpu time spent up to now is 34.1 secs Computing kpt #: 185 total cpu time spent up to now is 34.2 secs Computing kpt #: 186 total cpu time spent up to now is 34.3 secs Computing kpt #: 187 total cpu time spent up to now is 34.4 secs Computing kpt #: 188 total cpu time spent up to now is 34.4 secs Computing kpt #: 189 total cpu time spent up to now is 34.5 secs Computing kpt #: 190 total cpu time spent up to now is 34.6 secs Computing kpt #: 191 total cpu time spent up to now is 34.7 secs Computing kpt #: 192 total cpu time spent up to now is 34.8 secs Computing kpt #: 193 total cpu time spent up to now is 34.9 secs Computing kpt #: 194 total cpu time spent up to now is 35.0 secs Computing kpt #: 195 total cpu time spent up to now is 35.1 secs Computing kpt #: 196 total cpu time spent up to now is 35.2 secs Computing kpt #: 197 total cpu time spent up to now is 35.3 secs Computing kpt #: 198 total cpu time spent up to now is 35.4 secs Computing kpt #: 199 total cpu time spent up to now is 35.5 secs Computing kpt #: 200 total cpu time spent up to now is 35.5 secs Computing kpt #: 201 total cpu time spent up to now is 35.6 secs Computing kpt #: 202 total cpu time spent up to now is 35.7 secs Computing kpt #: 203 total cpu time spent up to now is 35.8 secs Computing kpt #: 204 total cpu time spent up to now is 35.9 secs Computing kpt #: 205 total cpu time spent up to now is 36.0 secs Computing kpt #: 206 total cpu time spent up to now is 36.1 secs Computing kpt #: 207 total cpu time spent up to now is 36.2 secs Computing kpt #: 208 total cpu time spent up to now is 36.3 secs Computing kpt #: 209 total cpu time spent up to now is 36.3 secs Computing kpt #: 210 total cpu time spent up to now is 36.4 secs Computing kpt #: 211 total cpu time spent up to now is 36.5 secs Computing kpt #: 212 total cpu time spent up to now is 36.6 secs Computing kpt #: 213 total cpu time spent up to now is 36.7 secs Computing kpt #: 214 total cpu time spent up to now is 36.8 secs Computing kpt #: 215 total cpu time spent up to now is 36.9 secs Computing kpt #: 216 total cpu time spent up to now is 37.0 secs Computing kpt #: 217 total cpu time spent up to now is 37.1 secs Computing kpt #: 218 total cpu time spent up to now is 37.2 secs Computing kpt #: 219 total cpu time spent up to now is 37.2 secs Computing kpt #: 220 total cpu time spent up to now is 37.3 secs Computing kpt #: 221 total cpu time spent up to now is 37.4 secs Computing kpt #: 222 total cpu time spent up to now is 37.5 secs Computing kpt #: 223 total cpu time spent up to now is 37.6 secs Computing kpt #: 224 total cpu time spent up to now is 37.7 secs Computing kpt #: 225 total cpu time spent up to now is 37.8 secs Computing kpt #: 226 total cpu time spent up to now is 37.9 secs Computing kpt #: 227 total cpu time spent up to now is 38.0 secs Computing kpt #: 228 total cpu time spent up to now is 38.1 secs Computing kpt #: 229 total cpu time spent up to now is 38.2 secs Computing kpt #: 230 total cpu time spent up to now is 38.2 secs Computing kpt #: 231 total cpu time spent up to now is 38.3 secs Computing kpt #: 232 total cpu time spent up to now is 38.4 secs Computing kpt #: 233 total cpu time spent up to now is 38.5 secs Computing kpt #: 234 total cpu time spent up to now is 38.6 secs Computing kpt #: 235 total cpu time spent up to now is 38.7 secs Computing kpt #: 236 total cpu time spent up to now is 38.8 secs Computing kpt #: 237 total cpu time spent up to now is 38.9 secs Computing kpt #: 238 total cpu time spent up to now is 39.0 secs Computing kpt #: 239 total cpu time spent up to now is 39.1 secs Computing kpt #: 240 total cpu time spent up to now is 39.2 secs Computing kpt #: 241 total cpu time spent up to now is 39.3 secs Computing kpt #: 242 total cpu time spent up to now is 39.4 secs Computing kpt #: 243 total cpu time spent up to now is 39.5 secs Computing kpt #: 244 total cpu time spent up to now is 39.6 secs Computing kpt #: 245 total cpu time spent up to now is 39.7 secs Computing kpt #: 246 total cpu time spent up to now is 39.7 secs Computing kpt #: 247 total cpu time spent up to now is 39.8 secs Computing kpt #: 248 total cpu time spent up to now is 39.9 secs Computing kpt #: 249 total cpu time spent up to now is 40.0 secs Computing kpt #: 250 total cpu time spent up to now is 40.1 secs Computing kpt #: 251 total cpu time spent up to now is 40.2 secs Computing kpt #: 252 total cpu time spent up to now is 40.3 secs Computing kpt #: 253 total cpu time spent up to now is 40.4 secs Computing kpt #: 254 total cpu time spent up to now is 40.5 secs Computing kpt #: 255 total cpu time spent up to now is 40.6 secs Computing kpt #: 256 total cpu time spent up to now is 40.7 secs Computing kpt #: 257 total cpu time spent up to now is 40.8 secs Computing kpt #: 258 total cpu time spent up to now is 40.9 secs Computing kpt #: 259 total cpu time spent up to now is 41.0 secs Computing kpt #: 260 total cpu time spent up to now is 41.1 secs Computing kpt #: 261 total cpu time spent up to now is 41.2 secs Computing kpt #: 262 total cpu time spent up to now is 41.3 secs Computing kpt #: 263 total cpu time spent up to now is 41.3 secs Computing kpt #: 264 total cpu time spent up to now is 41.4 secs Computing kpt #: 265 total cpu time spent up to now is 41.5 secs Computing kpt #: 266 total cpu time spent up to now is 41.6 secs Computing kpt #: 267 total cpu time spent up to now is 41.7 secs Computing kpt #: 268 total cpu time spent up to now is 41.8 secs Computing kpt #: 269 total cpu time spent up to now is 41.9 secs Computing kpt #: 270 total cpu time spent up to now is 42.0 secs Computing kpt #: 271 total cpu time spent up to now is 42.1 secs Computing kpt #: 272 total cpu time spent up to now is 42.2 secs Computing kpt #: 273 total cpu time spent up to now is 42.3 secs Computing kpt #: 274 total cpu time spent up to now is 42.4 secs Computing kpt #: 275 total cpu time spent up to now is 42.5 secs Computing kpt #: 276 total cpu time spent up to now is 42.6 secs Computing kpt #: 277 total cpu time spent up to now is 42.7 secs Computing kpt #: 278 total cpu time spent up to now is 42.8 secs Computing kpt #: 279 total cpu time spent up to now is 42.9 secs Computing kpt #: 280 total cpu time spent up to now is 43.0 secs Computing kpt #: 281 total cpu time spent up to now is 43.1 secs Computing kpt #: 282 total cpu time spent up to now is 43.2 secs Computing kpt #: 283 total cpu time spent up to now is 43.3 secs Computing kpt #: 284 total cpu time spent up to now is 43.4 secs Computing kpt #: 285 total cpu time spent up to now is 43.5 secs Computing kpt #: 286 total cpu time spent up to now is 43.7 secs Computing kpt #: 287 total cpu time spent up to now is 43.8 secs Computing kpt #: 288 total cpu time spent up to now is 43.9 secs Computing kpt #: 289 total cpu time spent up to now is 44.1 secs Computing kpt #: 290 total cpu time spent up to now is 44.2 secs Computing kpt #: 291 total cpu time spent up to now is 44.3 secs Computing kpt #: 292 total cpu time spent up to now is 44.5 secs Computing kpt #: 293 total cpu time spent up to now is 44.6 secs Computing kpt #: 294 total cpu time spent up to now is 44.8 secs Computing kpt #: 295 total cpu time spent up to now is 45.0 secs Computing kpt #: 296 total cpu time spent up to now is 45.2 secs Computing kpt #: 297 total cpu time spent up to now is 45.4 secs Computing kpt #: 298 total cpu time spent up to now is 45.6 secs Computing kpt #: 299 total cpu time spent up to now is 45.9 secs Computing kpt #: 300 total cpu time spent up to now is 46.1 secs Computing kpt #: 301 total cpu time spent up to now is 46.5 secs Computing kpt #: 302 total cpu time spent up to now is 46.8 secs Computing kpt #: 303 total cpu time spent up to now is 47.1 secs Computing kpt #: 304 total cpu time spent up to now is 47.3 secs Computing kpt #: 305 total cpu time spent up to now is 47.5 secs Computing kpt #: 306 total cpu time spent up to now is 47.8 secs Computing kpt #: 307 total cpu time spent up to now is 48.0 secs Computing kpt #: 308 total cpu time spent up to now is 48.3 secs Computing kpt #: 309 total cpu time spent up to now is 48.6 secs Computing kpt #: 310 total cpu time spent up to now is 48.8 secs Computing kpt #: 311 total cpu time spent up to now is 49.2 secs Computing kpt #: 312 total cpu time spent up to now is 49.5 secs Computing kpt #: 313 total cpu time spent up to now is 49.8 secs Computing kpt #: 314 total cpu time spent up to now is 50.0 secs Computing kpt #: 315 total cpu time spent up to now is 50.3 secs Computing kpt #: 316 total cpu time spent up to now is 50.6 secs Computing kpt #: 317 total cpu time spent up to now is 50.9 secs Computing kpt #: 318 total cpu time spent up to now is 51.1 secs Computing kpt #: 319 total cpu time spent up to now is 51.5 secs Computing kpt #: 320 total cpu time spent up to now is 51.9 secs Computing kpt #: 321 total cpu time spent up to now is 52.1 secs Computing kpt #: 322 total cpu time spent up to now is 52.5 secs Computing kpt #: 323 total cpu time spent up to now is 52.9 secs Computing kpt #: 324 total cpu time spent up to now is 53.2 secs Computing kpt #: 325 total cpu time spent up to now is 53.7 secs Computing kpt #: 326 total cpu time spent up to now is 54.0 secs Computing kpt #: 327 total cpu time spent up to now is 54.3 secs Computing kpt #: 328 total cpu time spent up to now is 54.5 secs Computing kpt #: 329 total cpu time spent up to now is 54.8 secs Computing kpt #: 330 total cpu time spent up to now is 55.1 secs Computing kpt #: 331 total cpu time spent up to now is 55.4 secs Computing kpt #: 332 total cpu time spent up to now is 55.7 secs Computing kpt #: 333 total cpu time spent up to now is 56.0 secs Computing kpt #: 334 total cpu time spent up to now is 56.3 secs Computing kpt #: 335 total cpu time spent up to now is 56.5 secs Computing kpt #: 336 total cpu time spent up to now is 56.8 secs Computing kpt #: 337 total cpu time spent up to now is 57.0 secs Computing kpt #: 338 total cpu time spent up to now is 57.3 secs Computing kpt #: 339 total cpu time spent up to now is 57.5 secs Computing kpt #: 340 total cpu time spent up to now is 57.8 secs Computing kpt #: 341 total cpu time spent up to now is 58.0 secs Computing kpt #: 342 total cpu time spent up to now is 58.2 secs Computing kpt #: 343 total cpu time spent up to now is 58.5 secs Computing kpt #: 344 total cpu time spent up to now is 58.7 secs Computing kpt #: 345 total cpu time spent up to now is 58.9 secs Computing kpt #: 346 total cpu time spent up to now is 59.1 secs Computing kpt #: 347 total cpu time spent up to now is 59.3 secs Computing kpt #: 348 total cpu time spent up to now is 59.5 secs Computing kpt #: 349 total cpu time spent up to now is 59.7 secs Computing kpt #: 350 total cpu time spent up to now is 60.0 secs Computing kpt #: 351 total cpu time spent up to now is 60.2 secs Computing kpt #: 352 total cpu time spent up to now is 60.5 secs Computing kpt #: 353 total cpu time spent up to now is 60.7 secs Computing kpt #: 354 total cpu time spent up to now is 60.9 secs Computing kpt #: 355 total cpu time spent up to now is 61.1 secs Computing kpt #: 356 total cpu time spent up to now is 61.3 secs Computing kpt #: 357 total cpu time spent up to now is 61.5 secs Computing kpt #: 358 total cpu time spent up to now is 61.7 secs Computing kpt #: 359 total cpu time spent up to now is 62.0 secs Computing kpt #: 360 total cpu time spent up to now is 62.2 secs Computing kpt #: 361 total cpu time spent up to now is 62.4 secs Computing kpt #: 362 total cpu time spent up to now is 62.5 secs Computing kpt #: 363 total cpu time spent up to now is 62.7 secs Computing kpt #: 364 total cpu time spent up to now is 62.9 secs Computing kpt #: 365 total cpu time spent up to now is 63.1 secs Computing kpt #: 366 total cpu time spent up to now is 63.3 secs Computing kpt #: 367 total cpu time spent up to now is 63.5 secs Computing kpt #: 368 total cpu time spent up to now is 63.7 secs Computing kpt #: 369 total cpu time spent up to now is 63.8 secs Computing kpt #: 370 total cpu time spent up to now is 64.0 secs Computing kpt #: 371 total cpu time spent up to now is 64.2 secs Computing kpt #: 372 total cpu time spent up to now is 64.4 secs Computing kpt #: 373 total cpu time spent up to now is 64.7 secs Computing kpt #: 374 total cpu time spent up to now is 64.9 secs Computing kpt #: 375 total cpu time spent up to now is 65.1 secs Computing kpt #: 376 total cpu time spent up to now is 65.3 secs Computing kpt #: 377 total cpu time spent up to now is 65.5 secs Computing kpt #: 378 total cpu time spent up to now is 65.8 secs Computing kpt #: 379 total cpu time spent up to now is 66.0 secs Computing kpt #: 380 total cpu time spent up to now is 66.2 secs Computing kpt #: 381 total cpu time spent up to now is 66.4 secs Computing kpt #: 382 total cpu time spent up to now is 66.6 secs Computing kpt #: 383 total cpu time spent up to now is 66.8 secs Computing kpt #: 384 total cpu time spent up to now is 67.1 secs Computing kpt #: 385 total cpu time spent up to now is 67.4 secs Computing kpt #: 386 total cpu time spent up to now is 67.6 secs Computing kpt #: 387 total cpu time spent up to now is 67.8 secs Computing kpt #: 388 total cpu time spent up to now is 68.0 secs Computing kpt #: 389 total cpu time spent up to now is 68.3 secs Computing kpt #: 390 total cpu time spent up to now is 68.5 secs Computing kpt #: 391 total cpu time spent up to now is 68.7 secs Computing kpt #: 392 total cpu time spent up to now is 69.0 secs Computing kpt #: 393 total cpu time spent up to now is 69.2 secs Computing kpt #: 394 total cpu time spent up to now is 69.4 secs Computing kpt #: 395 total cpu time spent up to now is 69.6 secs Computing kpt #: 396 total cpu time spent up to now is 69.8 secs Computing kpt #: 397 total cpu time spent up to now is 70.1 secs Computing kpt #: 398 total cpu time spent up to now is 70.3 secs Computing kpt #: 399 total cpu time spent up to now is 70.5 secs Computing kpt #: 400 total cpu time spent up to now is 70.7 secs Computing kpt #: 401 total cpu time spent up to now is 70.9 secs Computing kpt #: 402 total cpu time spent up to now is 71.1 secs Computing kpt #: 403 total cpu time spent up to now is 71.3 secs Computing kpt #: 404 total cpu time spent up to now is 71.5 secs Computing kpt #: 405 total cpu time spent up to now is 71.7 secs Computing kpt #: 406 total cpu time spent up to now is 71.9 secs Computing kpt #: 407 total cpu time spent up to now is 72.1 secs Computing kpt #: 408 total cpu time spent up to now is 72.2 secs Computing kpt #: 409 total cpu time spent up to now is 72.4 secs Computing kpt #: 410 total cpu time spent up to now is 72.6 secs Computing kpt #: 411 total cpu time spent up to now is 72.8 secs Computing kpt #: 412 total cpu time spent up to now is 73.0 secs Computing kpt #: 413 total cpu time spent up to now is 73.1 secs Computing kpt #: 414 total cpu time spent up to now is 73.3 secs Computing kpt #: 415 total cpu time spent up to now is 73.5 secs Computing kpt #: 416 total cpu time spent up to now is 73.7 secs Computing kpt #: 417 total cpu time spent up to now is 73.8 secs Computing kpt #: 418 total cpu time spent up to now is 74.0 secs Computing kpt #: 419 total cpu time spent up to now is 74.2 secs Computing kpt #: 420 total cpu time spent up to now is 74.5 secs Computing kpt #: 421 total cpu time spent up to now is 74.6 secs Computing kpt #: 422 total cpu time spent up to now is 74.8 secs Computing kpt #: 423 total cpu time spent up to now is 75.1 secs Computing kpt #: 424 total cpu time spent up to now is 75.4 secs Computing kpt #: 425 total cpu time spent up to now is 75.6 secs Computing kpt #: 426 total cpu time spent up to now is 75.9 secs Computing kpt #: 427 total cpu time spent up to now is 76.2 secs Computing kpt #: 428 total cpu time spent up to now is 76.5 secs Computing kpt #: 429 total cpu time spent up to now is 76.7 secs Computing kpt #: 430 total cpu time spent up to now is 76.7 secs Computing kpt #: 431 total cpu time spent up to now is 76.8 secs Computing kpt #: 432 total cpu time spent up to now is 76.9 secs Computing kpt #: 433 total cpu time spent up to now is 77.0 secs Computing kpt #: 434 total cpu time spent up to now is 77.1 secs Computing kpt #: 435 total cpu time spent up to now is 77.2 secs Computing kpt #: 436 total cpu time spent up to now is 77.3 secs Computing kpt #: 437 total cpu time spent up to now is 77.4 secs Computing kpt #: 438 total cpu time spent up to now is 77.5 secs Computing kpt #: 439 total cpu time spent up to now is 77.6 secs Computing kpt #: 440 total cpu time spent up to now is 77.7 secs Computing kpt #: 441 total cpu time spent up to now is 77.7 secs Computing kpt #: 442 total cpu time spent up to now is 77.8 secs Computing kpt #: 443 total cpu time spent up to now is 77.9 secs Computing kpt #: 444 total cpu time spent up to now is 78.0 secs Computing kpt #: 445 total cpu time spent up to now is 78.1 secs Computing kpt #: 446 total cpu time spent up to now is 78.2 secs Computing kpt #: 447 total cpu time spent up to now is 78.3 secs Computing kpt #: 448 total cpu time spent up to now is 78.4 secs Computing kpt #: 449 total cpu time spent up to now is 78.5 secs Computing kpt #: 450 total cpu time spent up to now is 78.6 secs Computing kpt #: 451 total cpu time spent up to now is 78.7 secs Computing kpt #: 452 total cpu time spent up to now is 78.8 secs Computing kpt #: 453 total cpu time spent up to now is 78.8 secs Computing kpt #: 454 total cpu time spent up to now is 78.9 secs Computing kpt #: 455 total cpu time spent up to now is 79.0 secs Computing kpt #: 456 total cpu time spent up to now is 79.1 secs Computing kpt #: 457 total cpu time spent up to now is 79.2 secs Computing kpt #: 458 total cpu time spent up to now is 79.3 secs Computing kpt #: 459 total cpu time spent up to now is 79.4 secs Computing kpt #: 460 total cpu time spent up to now is 79.5 secs Computing kpt #: 461 total cpu time spent up to now is 79.6 secs Computing kpt #: 462 total cpu time spent up to now is 79.7 secs Computing kpt #: 463 total cpu time spent up to now is 79.8 secs Computing kpt #: 464 total cpu time spent up to now is 79.9 secs Computing kpt #: 465 total cpu time spent up to now is 80.0 secs Computing kpt #: 466 total cpu time spent up to now is 80.1 secs Computing kpt #: 467 total cpu time spent up to now is 80.1 secs Computing kpt #: 468 total cpu time spent up to now is 80.2 secs Computing kpt #: 469 total cpu time spent up to now is 80.3 secs Computing kpt #: 470 total cpu time spent up to now is 80.4 secs Computing kpt #: 471 total cpu time spent up to now is 80.5 secs Computing kpt #: 472 total cpu time spent up to now is 80.6 secs Computing kpt #: 473 total cpu time spent up to now is 80.7 secs Computing kpt #: 474 total cpu time spent up to now is 80.8 secs Computing kpt #: 475 total cpu time spent up to now is 80.9 secs Computing kpt #: 476 total cpu time spent up to now is 81.0 secs Computing kpt #: 477 total cpu time spent up to now is 81.2 secs Computing kpt #: 478 total cpu time spent up to now is 81.3 secs Computing kpt #: 479 total cpu time spent up to now is 81.4 secs Computing kpt #: 480 total cpu time spent up to now is 81.5 secs Computing kpt #: 481 total cpu time spent up to now is 81.7 secs Computing kpt #: 482 total cpu time spent up to now is 81.9 secs Computing kpt #: 483 total cpu time spent up to now is 82.0 secs Computing kpt #: 484 total cpu time spent up to now is 82.2 secs ethr = 8.33E-08, avg # of iterations = 33.7 total cpu time spent up to now is 82.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6544 -7.6544 -7.6385 -7.6385 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0032 1.0032 1.8880 1.8880 k = 0.0040 0.0092-0.0000 ( 3333 PWs) bands (ev): -22.7394 -22.7394 -22.7393 -22.7393 -7.6539 -7.6539 -7.6381 -7.6381 -6.8762 -6.8762 -6.8761 -6.8761 -5.9940 -5.9940 -5.9940 -5.9940 1.0048 1.0048 1.8893 1.8893 k = 0.0081 0.0183-0.0000 ( 3329 PWs) bands (ev): -22.7381 -22.7381 -22.7380 -22.7380 -7.6527 -7.6527 -7.6369 -7.6369 -6.8758 -6.8758 -6.8758 -6.8758 -5.9999 -5.9999 -5.9999 -5.9999 1.0097 1.0097 1.8931 1.8931 k = 0.0121 0.0275-0.0000 ( 3321 PWs) bands (ev): -22.7360 -22.7360 -22.7359 -22.7359 -7.6507 -7.6507 -7.6349 -7.6349 -6.8752 -6.8752 -6.8752 -6.8752 -6.0096 -6.0096 -6.0096 -6.0096 1.0179 1.0179 1.8996 1.8996 k = 0.0161 0.0367-0.0000 ( 3325 PWs) bands (ev): -22.7330 -22.7330 -22.7329 -22.7329 -7.6478 -7.6478 -7.6321 -7.6321 -6.8744 -6.8744 -6.8744 -6.8744 -6.0233 -6.0233 -6.0232 -6.0232 1.0293 1.0293 1.9086 1.9086 k = 0.0202 0.0458-0.0000 ( 3327 PWs) bands (ev): -22.7293 -22.7293 -22.7292 -22.7292 -7.6442 -7.6442 -7.6285 -7.6285 -6.8734 -6.8734 -6.8734 -6.8734 -6.0407 -6.0407 -6.0406 -6.0406 1.0439 1.0439 1.9203 1.9203 k = 0.0242 0.0550-0.0000 ( 3329 PWs) bands (ev): -22.7247 -22.7247 -22.7246 -22.7246 -7.6397 -7.6397 -7.6242 -7.6242 -6.8721 -6.8721 -6.8721 -6.8721 -6.0618 -6.0618 -6.0617 -6.0617 1.0617 1.0617 1.9345 1.9345 k = 0.0282 0.0641-0.0000 ( 3341 PWs) bands (ev): -22.7193 -22.7193 -22.7191 -22.7191 -7.6345 -7.6345 -7.6190 -7.6190 -6.8707 -6.8707 -6.8707 -6.8707 -6.0866 -6.0866 -6.0864 -6.0864 1.0828 1.0828 1.9513 1.9513 k = 0.0323 0.0733-0.0000 ( 3331 PWs) bands (ev): -22.7130 -22.7130 -22.7129 -22.7129 -7.6285 -7.6285 -7.6131 -7.6131 -6.8690 -6.8690 -6.8690 -6.8690 -6.1149 -6.1149 -6.1147 -6.1147 1.1070 1.1070 1.9706 1.9706 k = 0.0363 0.0825-0.0000 ( 3331 PWs) bands (ev): -22.7060 -22.7060 -22.7059 -22.7059 -7.6217 -7.6217 -7.6065 -7.6065 -6.8672 -6.8672 -6.8672 -6.8672 -6.1466 -6.1466 -6.1464 -6.1464 1.1344 1.1344 1.9926 1.9926 k = 0.0403 0.0916-0.0000 ( 3331 PWs) bands (ev): -22.6982 -22.6982 -22.6981 -22.6981 -7.6142 -7.6142 -7.5991 -7.5991 -6.8652 -6.8652 -6.8651 -6.8651 -6.1817 -6.1817 -6.1814 -6.1814 1.1650 1.1650 2.0171 2.0171 k = 0.0444 0.1008-0.0000 ( 3331 PWs) bands (ev): -22.6896 -22.6896 -22.6895 -22.6895 -7.6059 -7.6059 -7.5910 -7.5910 -6.8630 -6.8630 -6.8629 -6.8629 -6.2199 -6.2199 -6.2196 -6.2196 1.1986 1.1986 2.0443 2.0443 k = 0.0484 0.1100-0.0000 ( 3335 PWs) bands (ev): -22.6803 -22.6803 -22.6802 -22.6802 -7.5969 -7.5969 -7.5822 -7.5822 -6.8606 -6.8606 -6.8606 -6.8606 -6.2612 -6.2612 -6.2608 -6.2608 1.2354 1.2354 2.0740 2.0740 k = 0.0524 0.1191-0.0000 ( 3339 PWs) bands (ev): -22.6702 -22.6702 -22.6701 -22.6701 -7.5872 -7.5872 -7.5727 -7.5727 -6.8581 -6.8581 -6.8581 -6.8581 -6.3053 -6.3053 -6.3049 -6.3049 1.2752 1.2752 2.1063 2.1063 k = 0.0565 0.1283-0.0000 ( 3339 PWs) bands (ev): -22.6594 -22.6594 -22.6593 -22.6593 -7.5769 -7.5769 -7.5625 -7.5625 -6.8555 -6.8555 -6.8555 -6.8555 -6.3522 -6.3522 -6.3517 -6.3517 1.3180 1.3180 2.1412 2.1412 k = 0.0605 0.1374-0.0000 ( 3335 PWs) bands (ev): -22.6479 -22.6479 -22.6478 -22.6478 -7.5658 -7.5658 -7.5517 -7.5517 -6.8528 -6.8528 -6.8528 -6.8528 -6.4016 -6.4016 -6.4011 -6.4011 1.3639 1.3639 2.1786 2.1786 k = 0.0645 0.1466-0.0000 ( 3325 PWs) bands (ev): -22.6358 -22.6358 -22.6357 -22.6357 -7.5542 -7.5542 -7.5403 -7.5403 -6.8500 -6.8500 -6.8500 -6.8500 -6.4534 -6.4534 -6.4529 -6.4529 1.4127 1.4127 2.2187 2.2187 k = 0.0686 0.1558-0.0000 ( 3327 PWs) bands (ev): -22.6229 -22.6229 -22.6228 -22.6228 -7.5419 -7.5419 -7.5282 -7.5282 -6.8472 -6.8472 -6.8472 -6.8472 -6.5075 -6.5075 -6.5069 -6.5069 1.4645 1.4645 2.2613 2.2613 k = 0.0726 0.1649-0.0000 ( 3331 PWs) bands (ev): -22.6095 -22.6095 -22.6094 -22.6094 -7.5290 -7.5290 -7.5156 -7.5156 -6.8444 -6.8444 -6.8443 -6.8443 -6.5635 -6.5635 -6.5629 -6.5629 1.5192 1.5192 2.3066 2.3066 k = 0.0766 0.1741-0.0000 ( 3327 PWs) bands (ev): -22.5954 -22.5954 -22.5953 -22.5953 -7.5155 -7.5155 -7.5024 -7.5024 -6.8415 -6.8415 -6.8415 -6.8415 -6.6214 -6.6214 -6.6207 -6.6207 1.5769 1.5769 2.3544 2.3544 k = 0.0807 0.1833-0.0000 ( 3323 PWs) bands (ev): -22.5807 -22.5807 -22.5806 -22.5806 -7.5015 -7.5015 -7.4887 -7.4887 -6.8389 -6.8389 -6.8388 -6.8388 -6.6808 -6.6808 -6.6801 -6.6801 1.6374 1.6374 2.4048 2.4048 k = 0.0847 0.1924-0.0000 ( 3327 PWs) bands (ev): -22.5655 -22.5655 -22.5654 -22.5654 -7.4871 -7.4871 -7.4745 -7.4745 -6.8366 -6.8366 -6.8366 -6.8366 -6.7414 -6.7414 -6.7406 -6.7406 1.7008 1.7008 2.4578 2.4578 k = 0.0887 0.2016-0.0000 ( 3327 PWs) bands (ev): -22.5498 -22.5498 -22.5497 -22.5497 -7.4721 -7.4721 -7.4598 -7.4598 -6.8373 -6.8373 -6.8372 -6.8372 -6.8004 -6.8004 -6.7997 -6.7997 1.7671 1.7671 2.5135 2.5135 k = 0.0928 0.2108-0.0000 ( 3321 PWs) bands (ev): -22.5336 -22.5336 -22.5335 -22.5335 -7.4567 -7.4567 -7.4447 -7.4447 -6.8735 -6.8735 -6.8727 -6.8727 -6.8251 -6.8251 -6.8250 -6.8250 1.8362 1.8362 2.5717 2.5717 k = 0.0968 0.2199-0.0000 ( 3333 PWs) bands (ev): -22.5169 -22.5169 -22.5168 -22.5168 -7.4409 -7.4409 -7.4292 -7.4292 -6.9359 -6.9359 -6.9351 -6.9351 -6.8246 -6.8246 -6.8246 -6.8246 1.9082 1.9082 2.6325 2.6325 k = 0.1008 0.2291-0.0000 ( 3333 PWs) bands (ev): -22.4998 -22.4998 -22.4997 -22.4997 -7.4247 -7.4247 -7.4134 -7.4134 -7.0009 -7.0009 -7.0001 -7.0001 -6.8225 -6.8225 -6.8225 -6.8225 1.9829 1.9829 2.6958 2.6958 k = 0.1049 0.2382-0.0000 ( 3337 PWs) bands (ev): -22.4823 -22.4823 -22.4822 -22.4822 -7.4083 -7.4083 -7.3972 -7.3972 -7.0668 -7.0668 -7.0660 -7.0660 -6.8203 -6.8203 -6.8202 -6.8202 2.0605 2.0605 2.7618 2.7618 k = 0.1089 0.2474-0.0000 ( 3341 PWs) bands (ev): -22.4645 -22.4645 -22.4644 -22.4644 -7.3915 -7.3915 -7.3808 -7.3808 -7.1332 -7.1332 -7.1324 -7.1324 -6.8181 -6.8181 -6.8180 -6.8180 2.1408 2.1408 2.8304 2.8304 k = 0.1129 0.2566-0.0000 ( 3341 PWs) bands (ev): -22.4463 -22.4463 -22.4462 -22.4462 -7.3747 -7.3747 -7.3643 -7.3643 -7.1998 -7.1998 -7.1990 -7.1990 -6.8160 -6.8160 -6.8160 -6.8160 2.2239 2.2239 2.9016 2.9016 k = 0.1169 0.2657-0.0000 ( 3347 PWs) bands (ev): -22.4279 -22.4279 -22.4278 -22.4278 -7.3581 -7.3581 -7.3482 -7.3482 -7.2659 -7.2659 -7.2653 -7.2653 -6.8141 -6.8141 -6.8141 -6.8141 2.3098 2.3098 2.9754 2.9754 k = 0.1210 0.2749-0.0000 ( 3335 PWs) bands (ev): -22.4092 -22.4092 -22.4091 -22.4091 -7.3492 -7.3492 -7.3449 -7.3449 -7.3237 -7.3237 -7.3190 -7.3190 -6.8125 -6.8125 -6.8125 -6.8125 2.3984 2.3984 3.0518 3.0518 k = 0.1250 0.2841-0.0000 ( 3343 PWs) bands (ev): -22.3903 -22.3903 -22.3903 -22.3903 -7.4035 -7.4035 -7.4029 -7.4029 -7.3191 -7.3191 -7.3099 -7.3099 -6.8111 -6.8111 -6.8111 -6.8111 2.4897 2.4897 3.1308 3.1308 k = 0.1290 0.2932-0.0000 ( 3347 PWs) bands (ev): -22.3713 -22.3713 -22.3712 -22.3712 -7.4693 -7.4693 -7.4685 -7.4685 -7.3023 -7.3023 -7.2931 -7.2931 -6.8100 -6.8100 -6.8100 -6.8100 2.5838 2.5838 3.2125 3.2125 k = 0.1331 0.3024-0.0000 ( 3343 PWs) bands (ev): -22.3522 -22.3522 -22.3521 -22.3521 -7.5350 -7.5350 -7.5342 -7.5342 -7.2847 -7.2847 -7.2758 -7.2758 -6.8093 -6.8093 -6.8093 -6.8093 2.6807 2.6807 3.2967 3.2967 k = 0.1371 0.3115-0.0000 ( 3347 PWs) bands (ev): -22.3330 -22.3330 -22.3329 -22.3329 -7.6002 -7.6002 -7.5995 -7.5995 -7.2668 -7.2668 -7.2583 -7.2583 -6.8090 -6.8090 -6.8089 -6.8089 2.7802 2.7802 3.3836 3.3836 k = 0.1411 0.3207-0.0000 ( 3341 PWs) bands (ev): -22.3137 -22.3137 -22.3137 -22.3137 -7.6647 -7.6647 -7.6640 -7.6640 -7.2490 -7.2490 -7.2408 -7.2408 -6.8090 -6.8090 -6.8089 -6.8089 2.8825 2.8825 3.4730 3.4730 k = 0.1452 0.3299-0.0000 ( 3341 PWs) bands (ev): -22.2945 -22.2945 -22.2945 -22.2945 -7.7283 -7.7283 -7.7276 -7.7276 -7.2311 -7.2311 -7.2233 -7.2233 -6.8094 -6.8094 -6.8094 -6.8094 2.9875 2.9875 3.5651 3.5651 k = 0.1492 0.3390-0.0000 ( 3333 PWs) bands (ev): -22.2754 -22.2754 -22.2753 -22.2753 -7.7908 -7.7908 -7.7901 -7.7901 -7.2133 -7.2133 -7.2058 -7.2058 -6.8103 -6.8103 -6.8103 -6.8103 3.0951 3.0951 3.6598 3.6598 k = 0.1532 0.3482-0.0000 ( 3333 PWs) bands (ev): -22.2564 -22.2564 -22.2563 -22.2563 -7.8521 -7.8521 -7.8514 -7.8514 -7.1957 -7.1957 -7.1884 -7.1884 -6.8117 -6.8117 -6.8117 -6.8117 3.2055 3.2055 3.7571 3.7571 k = 0.1573 0.3574-0.0000 ( 3333 PWs) bands (ev): -22.2375 -22.2375 -22.2374 -22.2374 -7.9120 -7.9120 -7.9113 -7.9113 -7.1782 -7.1782 -7.1713 -7.1713 -6.8136 -6.8136 -6.8135 -6.8135 3.3186 3.3186 3.8571 3.8571 k = 0.1613 0.3665-0.0000 ( 3329 PWs) bands (ev): -22.2189 -22.2189 -22.2188 -22.2188 -7.9705 -7.9705 -7.9698 -7.9698 -7.1609 -7.1609 -7.1543 -7.1543 -6.8160 -6.8160 -6.8160 -6.8160 3.4344 3.4344 3.9596 3.9596 k = 0.1653 0.3757-0.0000 ( 3325 PWs) bands (ev): -22.2004 -22.2004 -22.2004 -22.2004 -8.0273 -8.0273 -8.0266 -8.0266 -7.1438 -7.1438 -7.1375 -7.1375 -6.8190 -6.8190 -6.8189 -6.8189 3.5529 3.5529 4.0648 4.0648 k = 0.1694 0.3849-0.0000 ( 3337 PWs) bands (ev): -22.1824 -22.1824 -22.1823 -22.1823 -8.0824 -8.0824 -8.0817 -8.0817 -7.1270 -7.1270 -7.1211 -7.1211 -6.8225 -6.8225 -6.8225 -6.8225 3.6740 3.6740 4.1727 4.1727 k = 0.1734 0.3940-0.0000 ( 3335 PWs) bands (ev): -22.1646 -22.1646 -22.1645 -22.1645 -8.1357 -8.1357 -8.1350 -8.1350 -7.1106 -7.1106 -7.1049 -7.1049 -6.8267 -6.8267 -6.8266 -6.8266 3.7978 3.7978 4.2831 4.2831 k = 0.1774 0.4032-0.0000 ( 3327 PWs) bands (ev): -22.1472 -22.1472 -22.1472 -22.1472 -8.1870 -8.1870 -8.1863 -8.1863 -7.0946 -7.0946 -7.0892 -7.0892 -6.8314 -6.8314 -6.8314 -6.8314 3.9244 3.9244 4.3962 4.3962 k = 0.1815 0.4123-0.0000 ( 3335 PWs) bands (ev): -22.1303 -22.1303 -22.1303 -22.1303 -8.2362 -8.2362 -8.2356 -8.2356 -7.0789 -7.0789 -7.0738 -7.0738 -6.8369 -6.8369 -6.8368 -6.8368 4.0535 4.0535 4.5119 4.5119 k = 0.1855 0.4215-0.0000 ( 3335 PWs) bands (ev): -22.1139 -22.1139 -22.1138 -22.1138 -8.2832 -8.2832 -8.2826 -8.2826 -7.0637 -7.0637 -7.0589 -7.0589 -6.8430 -6.8430 -6.8429 -6.8429 4.1853 4.1853 4.6303 4.6303 k = 0.1895 0.4307-0.0000 ( 3343 PWs) bands (ev): -22.0980 -22.0980 -22.0979 -22.0979 -8.3280 -8.3280 -8.3274 -8.3274 -7.0491 -7.0491 -7.0445 -7.0445 -6.8497 -6.8497 -6.8497 -6.8497 4.3198 4.3198 4.7513 4.7513 k = 0.1936 0.4398-0.0000 ( 3343 PWs) bands (ev): -22.0826 -22.0826 -22.0826 -22.0826 -8.3704 -8.3704 -8.3699 -8.3699 -7.0349 -7.0349 -7.0306 -7.0306 -6.8572 -6.8572 -6.8571 -6.8571 4.4570 4.4570 4.8749 4.8749 k = 0.1976 0.4490-0.0000 ( 3347 PWs) bands (ev): -22.0679 -22.0679 -22.0678 -22.0678 -8.4104 -8.4104 -8.4099 -8.4099 -7.0213 -7.0213 -7.0173 -7.0173 -6.8653 -6.8653 -6.8653 -6.8653 4.5967 4.5967 5.0011 5.0011 k = 0.2016 0.4582-0.0000 ( 3343 PWs) bands (ev): -22.0538 -22.0538 -22.0538 -22.0538 -8.4478 -8.4478 -8.4473 -8.4473 -7.0083 -7.0083 -7.0046 -7.0046 -6.8742 -6.8742 -6.8741 -6.8741 4.7391 4.7391 5.1300 5.1300 k = 0.2057 0.4673-0.0000 ( 3327 PWs) bands (ev): -22.0404 -22.0404 -22.0404 -22.0404 -8.4826 -8.4826 -8.4821 -8.4821 -6.9961 -6.9961 -6.9925 -6.9925 -6.8837 -6.8837 -6.8836 -6.8836 4.8842 4.8842 5.2615 5.2615 k = 0.2097 0.4765-0.0000 ( 3319 PWs) bands (ev): -22.0277 -22.0277 -22.0277 -22.0277 -8.5148 -8.5148 -8.5143 -8.5143 -6.9845 -6.9845 -6.9812 -6.9812 -6.8938 -6.8938 -6.8937 -6.8937 5.0318 5.0318 5.3956 5.3956 k = 0.2137 0.4856-0.0000 ( 3323 PWs) bands (ev): -22.0158 -22.0158 -22.0158 -22.0158 -8.5442 -8.5442 -8.5437 -8.5437 -6.9739 -6.9739 -6.9709 -6.9709 -6.9045 -6.9045 -6.9043 -6.9043 5.1820 5.1820 5.5323 5.5323 k = 0.2178 0.4948-0.0000 ( 3323 PWs) bands (ev): -22.0047 -22.0047 -22.0047 -22.0047 -8.5707 -8.5707 -8.5703 -8.5703 -6.9645 -6.9645 -6.9618 -6.9618 -6.9154 -6.9154 -6.9151 -6.9151 5.3349 5.3349 5.6716 5.6716 k = 0.2218 0.5040-0.0000 ( 3327 PWs) bands (ev): -21.9944 -21.9944 -21.9944 -21.9944 -8.5944 -8.5944 -8.5940 -8.5940 -6.9575 -6.9575 -6.9554 -6.9554 -6.9254 -6.9254 -6.9247 -6.9247 5.4903 5.4903 5.8135 5.8135 k = 0.2258 0.5131-0.0000 ( 3331 PWs) bands (ev): -21.9849 -21.9849 -21.9849 -21.9849 -8.6152 -8.6152 -8.6148 -8.6148 -6.9567 -6.9567 -6.9557 -6.9557 -6.9306 -6.9306 -6.9291 -6.9291 5.6482 5.6482 5.9580 5.9580 k = 0.2299 0.5223-0.0000 ( 3327 PWs) bands (ev): -21.9763 -21.9763 -21.9763 -21.9763 -8.6330 -8.6330 -8.6327 -8.6327 -6.9652 -6.9652 -6.9648 -6.9648 -6.9282 -6.9282 -6.9262 -6.9262 5.8087 5.8087 6.1050 6.1050 k = 0.2339 0.5315-0.0000 ( 3323 PWs) bands (ev): -21.9686 -21.9686 -21.9686 -21.9686 -8.6479 -8.6479 -8.6475 -8.6475 -6.9782 -6.9782 -6.9780 -6.9780 -6.9227 -6.9227 -6.9207 -6.9207 5.9717 5.9717 6.2545 6.2545 k = 0.2379 0.5406-0.0000 ( 3319 PWs) bands (ev): -21.9619 -21.9619 -21.9618 -21.9618 -8.6597 -8.6597 -8.6593 -8.6593 -6.9932 -6.9932 -6.9931 -6.9931 -6.9168 -6.9168 -6.9149 -6.9149 6.1373 6.1373 6.4066 6.4066 k = 0.2420 0.5498-0.0000 ( 3323 PWs) bands (ev): -21.9560 -21.9560 -21.9560 -21.9560 -8.6684 -8.6684 -8.6681 -8.6681 -7.0093 -7.0093 -7.0092 -7.0092 -6.9113 -6.9113 -6.9096 -6.9096 6.3053 6.3053 6.5610 6.5610 k = 0.2460 0.5590-0.0000 ( 3317 PWs) bands (ev): -21.9511 -21.9511 -21.9511 -21.9511 -8.6741 -8.6741 -8.6738 -8.6738 -7.0264 -7.0264 -7.0263 -7.0263 -6.9063 -6.9063 -6.9048 -6.9048 6.4757 6.4757 6.7179 6.7179 k = 0.2500 0.5681-0.0000 ( 3317 PWs) bands (ev): -21.9471 -21.9471 -21.9471 -21.9471 -8.6767 -8.6767 -8.6764 -8.6764 -7.0444 -7.0444 -7.0442 -7.0442 -6.9021 -6.9021 -6.9007 -6.9007 6.6486 6.6486 6.8772 6.8772 k = 0.2541 0.5773-0.0000 ( 3321 PWs) bands (ev): -21.9441 -21.9441 -21.9441 -21.9441 -8.6762 -8.6762 -8.6759 -8.6759 -7.0631 -7.0631 -7.0630 -7.0630 -6.8986 -6.8986 -6.8973 -6.8973 6.8238 6.8238 7.0387 7.0387 k = 0.2581 0.5864-0.0000 ( 3315 PWs) bands (ev): -21.9420 -21.9420 -21.9420 -21.9420 -8.6726 -8.6726 -8.6723 -8.6723 -7.0825 -7.0825 -7.0824 -7.0824 -6.8959 -6.8959 -6.8948 -6.8948 7.0015 7.0015 7.2024 7.2024 k = 0.2621 0.5956-0.0000 ( 3309 PWs) bands (ev): -21.9409 -21.9409 -21.9409 -21.9409 -8.6659 -8.6659 -8.6657 -8.6657 -7.1027 -7.1027 -7.1026 -7.1026 -6.8939 -6.8939 -6.8929 -6.8929 7.1814 7.1814 7.3682 7.3682 k = 0.2662 0.6048-0.0000 ( 3313 PWs) bands (ev): -21.9407 -21.9407 -21.9407 -21.9407 -8.6562 -8.6562 -8.6560 -8.6560 -7.1235 -7.1235 -7.1234 -7.1234 -6.8928 -6.8928 -6.8919 -6.8919 7.3635 7.3635 7.5358 7.5358 k = 0.2702 0.6139-0.0000 ( 3313 PWs) bands (ev): -21.9415 -21.9415 -21.9415 -21.9415 -8.6434 -8.6434 -8.6432 -8.6432 -7.1450 -7.1450 -7.1449 -7.1449 -6.8924 -6.8924 -6.8916 -6.8916 7.5479 7.5479 7.7050 7.7050 k = 0.2742 0.6231-0.0000 ( 3297 PWs) bands (ev): -21.9432 -21.9432 -21.9432 -21.9432 -8.6276 -8.6276 -8.6274 -8.6274 -7.1671 -7.1671 -7.1670 -7.1670 -6.8927 -6.8927 -6.8921 -6.8921 7.7343 7.7343 7.8756 7.8756 k = 0.2783 0.6323-0.0000 ( 3305 PWs) bands (ev): -21.9459 -21.9459 -21.9459 -21.9459 -8.6089 -8.6089 -8.6087 -8.6087 -7.1898 -7.1898 -7.1897 -7.1897 -6.8939 -6.8939 -6.8934 -6.8934 7.9228 7.9228 8.0469 8.0469 k = 0.2823 0.6414-0.0000 ( 3305 PWs) bands (ev): -21.9494 -21.9494 -21.9494 -21.9494 -8.5872 -8.5872 -8.5870 -8.5870 -7.2131 -7.2131 -7.2129 -7.2129 -6.8958 -6.8958 -6.8954 -6.8954 8.1132 8.1132 8.2182 8.2183 k = 0.2863 0.6506-0.0000 ( 3301 PWs) bands (ev): -21.9538 -21.9538 -21.9538 -21.9538 -8.5626 -8.5626 -8.5624 -8.5624 -7.2369 -7.2369 -7.2367 -7.2367 -6.8984 -6.8984 -6.8982 -6.8982 8.3052 8.3052 8.3880 8.3880 k = 0.2904 0.6597-0.0000 ( 3309 PWs) bands (ev): -21.9591 -21.9591 -21.9591 -21.9591 -8.5351 -8.5351 -8.5350 -8.5350 -7.2612 -7.2612 -7.2610 -7.2610 -6.9018 -6.9018 -6.9017 -6.9017 8.4499 8.4499 8.5000 8.5001 k = 0.2944 0.6689-0.0000 ( 3309 PWs) bands (ev): -21.9652 -21.9652 -21.9652 -21.9652 -8.5049 -8.5049 -8.5048 -8.5048 -7.2860 -7.2860 -7.2858 -7.2858 -6.9058 -6.9058 -6.9058 -6.9058 8.3454 8.3454 8.6252 8.6252 k = 0.2984 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2418 8.2418 8.5241 8.5241 k = 0.2984 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2418 8.2418 8.5241 8.5241 k = 0.2885 0.6781-0.0000 ( 3306 PWs) bands (ev): -21.9693 -21.9693 -21.9693 -21.9693 -8.4857 -8.4857 -8.4855 -8.4855 -7.3005 -7.3005 -7.3003 -7.3003 -6.9087 -6.9087 -6.9086 -6.9086 8.2639 8.2639 8.5736 8.5736 k = 0.2785 0.6781-0.0000 ( 3308 PWs) bands (ev): -21.9667 -21.9667 -21.9667 -21.9667 -8.4993 -8.4993 -8.4991 -8.4991 -7.2889 -7.2889 -7.2887 -7.2887 -6.9070 -6.9070 -6.9069 -6.9069 8.2570 8.2570 8.6295 8.6295 k = 0.2686 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9644 -21.9644 -21.9644 -21.9644 -8.5128 -8.5128 -8.5126 -8.5126 -7.2764 -7.2764 -7.2762 -7.2762 -6.9055 -6.9055 -6.9054 -6.9054 8.2338 8.2338 8.6244 8.6244 k = 0.2586 0.6781-0.0000 ( 3313 PWs) bands (ev): -21.9622 -21.9622 -21.9622 -21.9622 -8.5262 -8.5262 -8.5260 -8.5260 -7.2631 -7.2631 -7.2629 -7.2629 -6.9043 -6.9043 -6.9040 -6.9040 8.2016 8.2016 8.5532 8.5532 k = 0.2487 0.6781-0.0000 ( 3311 PWs) bands (ev): -21.9603 -21.9603 -21.9603 -21.9603 -8.5394 -8.5394 -8.5393 -8.5393 -7.2492 -7.2492 -7.2490 -7.2490 -6.9032 -6.9032 -6.9029 -6.9029 8.1642 8.1642 8.4834 8.4834 k = 0.2387 0.6781-0.0000 ( 3317 PWs) bands (ev): -21.9585 -21.9585 -21.9585 -21.9585 -8.5525 -8.5525 -8.5523 -8.5523 -7.2346 -7.2346 -7.2344 -7.2344 -6.9022 -6.9022 -6.9019 -6.9019 8.1237 8.1237 8.4156 8.4157 k = 0.2288 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9569 -21.9569 -21.9569 -21.9569 -8.5653 -8.5653 -8.5651 -8.5651 -7.2196 -7.2196 -7.2194 -7.2194 -6.9014 -6.9014 -6.9010 -6.9010 8.0814 8.0814 8.3502 8.3502 k = 0.2188 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9555 -21.9555 -21.9555 -21.9555 -8.5779 -8.5779 -8.5777 -8.5777 -7.2042 -7.2042 -7.2040 -7.2040 -6.9008 -6.9008 -6.9004 -6.9004 8.0382 8.0382 8.2872 8.2872 k = 0.2089 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9542 -21.9542 -21.9542 -21.9542 -8.5902 -8.5902 -8.5900 -8.5900 -7.1885 -7.1885 -7.1883 -7.1883 -6.9003 -6.9003 -6.8998 -6.8998 7.9945 7.9945 8.2267 8.2267 k = 0.1989 0.6781-0.0000 ( 3314 PWs) bands (ev): -21.9531 -21.9531 -21.9531 -21.9531 -8.6021 -8.6021 -8.6019 -8.6019 -7.1726 -7.1726 -7.1725 -7.1725 -6.8999 -6.8999 -6.8994 -6.8994 7.9510 7.9510 8.1689 8.1690 k = 0.1890 0.6781-0.0000 ( 3308 PWs) bands (ev): -21.9521 -21.9521 -21.9521 -21.9521 -8.6137 -8.6137 -8.6135 -8.6135 -7.1567 -7.1567 -7.1566 -7.1566 -6.8996 -6.8996 -6.8990 -6.8990 7.9079 7.9079 8.1138 8.1138 k = 0.1791 0.6781-0.0000 ( 3310 PWs) bands (ev): -21.9512 -21.9512 -21.9512 -21.9512 -8.6249 -8.6249 -8.6247 -8.6247 -7.1408 -7.1408 -7.1407 -7.1407 -6.8995 -6.8995 -6.8988 -6.8988 7.8657 7.8657 8.0614 8.0615 k = 0.1691 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9505 -21.9505 -21.9505 -21.9505 -8.6357 -8.6357 -8.6355 -8.6355 -7.1251 -7.1251 -7.1250 -7.1250 -6.8993 -6.8993 -6.8987 -6.8987 7.8244 7.8244 8.0118 8.0118 k = 0.1592 0.6781-0.0000 ( 3314 PWs) bands (ev): -21.9498 -21.9498 -21.9498 -21.9498 -8.6460 -8.6460 -8.6458 -8.6458 -7.1097 -7.1097 -7.1095 -7.1095 -6.8993 -6.8993 -6.8986 -6.8986 7.7845 7.7845 7.9649 7.9650 k = 0.1492 0.6781-0.0000 ( 3308 PWs) bands (ev): -21.9493 -21.9493 -21.9492 -21.9492 -8.6559 -8.6559 -8.6556 -8.6556 -7.0946 -7.0946 -7.0945 -7.0945 -6.8993 -6.8993 -6.8986 -6.8986 7.7460 7.7460 7.9208 7.9209 k = 0.1393 0.6781-0.0000 ( 3310 PWs) bands (ev): -21.9488 -21.9488 -21.9488 -21.9488 -8.6652 -8.6652 -8.6650 -8.6650 -7.0800 -7.0800 -7.0798 -7.0798 -6.8994 -6.8994 -6.8986 -6.8986 7.7092 7.7092 7.8795 7.8796 k = 0.1293 0.6781-0.0000 ( 3310 PWs) bands (ev): -21.9484 -21.9484 -21.9484 -21.9484 -8.6740 -8.6740 -8.6738 -8.6738 -7.0659 -7.0659 -7.0658 -7.0658 -6.8994 -6.8994 -6.8986 -6.8986 7.6742 7.6742 7.8411 7.8411 k = 0.1194 0.6781-0.0000 ( 3314 PWs) bands (ev): -21.9480 -21.9480 -21.9480 -21.9480 -8.6823 -8.6823 -8.6820 -8.6820 -7.0525 -7.0525 -7.0524 -7.0524 -6.8995 -6.8995 -6.8987 -6.8987 7.6412 7.6412 7.8055 7.8055 k = 0.1094 0.6781-0.0000 ( 3318 PWs) bands (ev): -21.9478 -21.9478 -21.9478 -21.9478 -8.6899 -8.6899 -8.6897 -8.6897 -7.0398 -7.0398 -7.0397 -7.0397 -6.8996 -6.8996 -6.8988 -6.8988 7.6104 7.6104 7.7727 7.7727 k = 0.0995 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9475 -21.9475 -21.9475 -21.9475 -8.6970 -8.6970 -8.6968 -8.6968 -7.0280 -7.0280 -7.0279 -7.0279 -6.8997 -6.8997 -6.8989 -6.8989 7.5818 7.5818 7.7427 7.7427 k = 0.0895 0.6781-0.0000 ( 3310 PWs) bands (ev): -21.9474 -21.9474 -21.9474 -21.9474 -8.7035 -8.7035 -8.7032 -8.7032 -7.0170 -7.0170 -7.0169 -7.0169 -6.8998 -6.8998 -6.8989 -6.8989 7.5556 7.5556 7.7156 7.7156 k = 0.0796 0.6781-0.0000 ( 3311 PWs) bands (ev): -21.9472 -21.9472 -21.9472 -21.9472 -8.7093 -8.7093 -8.7090 -8.7090 -7.0071 -7.0071 -7.0070 -7.0070 -6.8999 -6.8999 -6.8990 -6.8990 7.5319 7.5319 7.6913 7.6914 k = 0.0696 0.6781-0.0000 ( 3309 PWs) bands (ev): -21.9471 -21.9471 -21.9471 -21.9471 -8.7145 -8.7145 -8.7142 -8.7142 -6.9982 -6.9982 -6.9981 -6.9981 -6.9000 -6.9000 -6.8991 -6.8991 7.5107 7.5107 7.6699 7.6700 k = 0.0597 0.6781-0.0000 ( 3313 PWs) bands (ev): -21.9470 -21.9470 -21.9470 -21.9470 -8.7190 -8.7190 -8.7187 -8.7187 -6.9903 -6.9903 -6.9903 -6.9903 -6.9000 -6.9000 -6.8991 -6.8991 7.4922 7.4922 7.6513 7.6514 k = 0.0497 0.6781-0.0000 ( 3313 PWs) bands (ev): -21.9470 -21.9470 -21.9470 -21.9470 -8.7228 -8.7228 -8.7225 -8.7225 -6.9836 -6.9836 -6.9836 -6.9836 -6.9000 -6.9000 -6.8991 -6.8991 7.4765 7.4765 7.6356 7.6357 k = 0.0398 0.6781-0.0000 ( 3317 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7260 -8.7260 -8.7257 -8.7257 -6.9781 -6.9781 -6.9781 -6.9781 -6.9000 -6.9000 -6.8991 -6.8991 7.4635 7.4635 7.6227 7.6228 k = 0.0298 0.6781-0.0000 ( 3319 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7284 -8.7284 -8.7282 -8.7282 -6.9738 -6.9738 -6.9738 -6.9738 -6.9000 -6.9000 -6.8991 -6.8991 7.4534 7.4534 7.6127 7.6127 k = 0.0199 0.6781-0.0000 ( 3322 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7302 -8.7302 -8.7299 -8.7299 -6.9707 -6.9707 -6.9707 -6.9707 -6.9000 -6.9000 -6.8990 -6.8990 7.4461 7.4461 7.6055 7.6056 k = 0.0099 0.6781-0.0000 ( 3316 PWs) bands (ev): -21.9469 -21.9469 -21.9468 -21.9468 -8.7312 -8.7312 -8.7310 -8.7310 -6.9689 -6.9689 -6.9688 -6.9688 -6.9000 -6.9000 -6.8990 -6.8990 7.4417 7.4417 7.6013 7.6013 k = 0.0000 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9682 -6.9682 -6.9682 -6.9682 -6.9000 -6.9000 -6.8990 -6.8990 7.4403 7.4403 7.5998 7.5999 k = 0.0000 0.6781-0.0000 ( 3312 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9682 -6.9682 -6.9682 -6.9682 -6.9000 -6.9000 -6.8990 -6.8990 7.4403 7.4403 7.5998 7.5998 k = 0.0000 0.6781 0.0094 ( 3314 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9682 -6.9682 -6.9682 -6.9682 -6.9000 -6.9000 -6.8990 -6.8990 7.4387 7.4387 7.6033 7.6033 k = 0.0000 0.6781 0.0188 ( 3324 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9683 -6.9683 -6.9682 -6.9682 -6.8999 -6.8999 -6.8990 -6.8990 7.4344 7.4344 7.6120 7.6124 k = 0.0000 0.6781 0.0283 ( 3320 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9683 -6.9683 -6.9682 -6.9682 -6.8999 -6.8999 -6.8990 -6.8990 7.4284 7.4284 7.6001 7.6003 k = 0.0000 0.6781 0.0377 ( 3322 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7313 -8.7313 -6.9683 -6.9683 -6.9682 -6.9682 -6.8999 -6.8999 -6.8991 -6.8991 7.4219 7.4219 7.5851 7.5851 k = 0.0000 0.6781 0.0471 ( 3322 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7314 -8.7314 -6.9683 -6.9683 -6.9682 -6.9682 -6.8999 -6.8999 -6.8991 -6.8991 7.4156 7.4156 7.5681 7.5681 k = 0.0000 0.6781 0.0565 ( 3320 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7314 -8.7314 -6.9683 -6.9683 -6.9682 -6.9682 -6.8999 -6.8999 -6.8991 -6.8991 7.4103 7.4103 7.5500 7.5500 k = 0.0000 0.6781 0.0660 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7316 -8.7316 -8.7314 -8.7314 -6.9683 -6.9683 -6.9682 -6.9682 -6.8998 -6.8998 -6.8992 -6.8992 7.4062 7.4062 7.5316 7.5316 k = 0.0000 0.6781 0.0754 ( 3332 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9683 -6.9683 -6.9682 -6.9682 -6.8998 -6.8998 -6.8992 -6.8992 7.4038 7.4038 7.5133 7.5133 k = 0.0000 0.6781 0.0848 ( 3332 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9683 -6.9683 -6.9682 -6.9682 -6.8998 -6.8998 -6.8992 -6.8992 7.4030 7.4030 7.4957 7.4957 k = 0.0000 0.6781 0.0942 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9682 -6.9682 -6.9682 -6.9682 -6.8997 -6.8997 -6.8993 -6.8993 7.4041 7.4041 7.4792 7.4792 k = 0.0000 0.6781 0.1036 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9682 -6.9682 -6.9682 -6.9682 -6.8997 -6.8997 -6.8993 -6.8993 7.4070 7.4070 7.4639 7.4639 k = 0.0000 0.6781 0.1131 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9682 -6.9682 -6.9682 -6.9682 -6.8996 -6.8996 -6.8994 -6.8994 7.4119 7.4119 7.4500 7.4500 k = 0.0000 0.6781 0.1225 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7314 -8.7314 -6.9682 -6.9682 -6.9682 -6.9682 -6.8996 -6.8996 -6.8995 -6.8995 7.4187 7.4187 7.4378 7.4378 k = 0.0000 0.6781 0.1319 ( 3328 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7315 -8.7315 -6.9682 -6.9682 -6.9682 -6.9682 -6.8995 -6.8995 -6.8995 -6.8995 7.4273 7.4273 7.4274 7.4274 k = 0.0000 0.6781 0.1319 ( 3328 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7315 -8.7315 -8.7315 -8.7315 -6.9682 -6.9682 -6.9682 -6.9682 -6.8995 -6.8995 -6.8995 -6.8995 7.4273 7.4273 7.4274 7.4274 k = 0.0099 0.6781 0.1319 ( 3326 PWs) bands (ev): -21.9468 -21.9468 -21.9468 -21.9468 -8.7311 -8.7311 -8.7311 -8.7311 -6.9689 -6.9689 -6.9689 -6.9689 -6.8995 -6.8995 -6.8995 -6.8995 7.4288 7.4288 7.4289 7.4289 k = 0.0199 0.6781 0.1319 ( 3326 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7300 -8.7300 -8.7300 -8.7300 -6.9707 -6.9707 -6.9707 -6.9707 -6.8995 -6.8995 -6.8995 -6.8995 7.4334 7.4334 7.4335 7.4335 k = 0.0298 0.6781 0.1319 ( 3322 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7283 -8.7283 -8.7283 -8.7283 -6.9738 -6.9738 -6.9738 -6.9738 -6.8996 -6.8996 -6.8996 -6.8996 7.4410 7.4410 7.4411 7.4411 k = 0.0398 0.6781 0.1319 ( 3322 PWs) bands (ev): -21.9469 -21.9469 -21.9469 -21.9469 -8.7258 -8.7258 -8.7258 -8.7258 -6.9781 -6.9781 -6.9781 -6.9781 -6.8996 -6.8996 -6.8996 -6.8996 7.4517 7.4517 7.4518 7.4518 k = 0.0497 0.6781 0.1319 ( 3322 PWs) bands (ev): -21.9470 -21.9470 -21.9470 -21.9470 -8.7227 -8.7227 -8.7227 -8.7227 -6.9836 -6.9836 -6.9836 -6.9836 -6.8996 -6.8996 -6.8996 -6.8996 7.4653 7.4653 7.4654 7.4654 k = 0.0597 0.6781 0.1319 ( 3324 PWs) bands (ev): -21.9470 -21.9470 -21.9470 -21.9470 -8.7188 -8.7188 -8.7188 -8.7188 -6.9903 -6.9903 -6.9903 -6.9903 -6.8996 -6.8996 -6.8996 -6.8996 7.4820 7.4820 7.4821 7.4821 k = 0.0696 0.6781 0.1319 ( 3322 PWs) bands (ev): -21.9471 -21.9471 -21.9471 -21.9471 -8.7143 -8.7143 -8.7143 -8.7143 -6.9981 -6.9981 -6.9981 -6.9981 -6.8995 -6.8995 -6.8995 -6.8995 7.5016 7.5016 7.5017 7.5017 k = 0.0796 0.6781 0.1319 ( 3322 PWs) bands (ev): -21.9472 -21.9472 -21.9472 -21.9472 -8.7092 -8.7092 -8.7092 -8.7092 -7.0070 -7.0070 -7.0070 -7.0070 -6.8995 -6.8995 -6.8995 -6.8995 7.5241 7.5241 7.5243 7.5243 k = 0.0895 0.6781 0.1319 ( 3318 PWs) bands (ev): -21.9474 -21.9474 -21.9474 -21.9474 -8.7033 -8.7033 -8.7033 -8.7033 -7.0170 -7.0170 -7.0170 -7.0170 -6.8994 -6.8994 -6.8994 -6.8994 7.5496 7.5496 7.5498 7.5498 k = 0.0995 0.6781 0.1319 ( 3330 PWs) bands (ev): -21.9475 -21.9475 -21.9475 -21.9475 -8.6969 -8.6969 -8.6969 -8.6969 -7.0279 -7.0279 -7.0279 -7.0279 -6.8993 -6.8993 -6.8993 -6.8993 7.5779 7.5779 7.5782 7.5782 k = 0.1094 0.6781 0.1319 ( 3324 PWs) bands (ev): -21.9478 -21.9478 -21.9478 -21.9478 -8.6898 -8.6898 -8.6898 -8.6898 -7.0398 -7.0398 -7.0398 -7.0398 -6.8992 -6.8992 -6.8992 -6.8992 7.6090 7.6090 7.6093 7.6093 k = 0.1194 0.6781 0.1319 ( 3328 PWs) bands (ev): -21.9480 -21.9480 -21.9480 -21.9480 -8.6821 -8.6821 -8.6821 -8.6821 -7.0524 -7.0524 -7.0524 -7.0524 -6.8991 -6.8991 -6.8991 -6.8991 7.6429 7.6429 7.6433 7.6433 k = 0.1293 0.6781 0.1319 ( 3326 PWs) bands (ev): -21.9484 -21.9484 -21.9484 -21.9484 -8.6739 -8.6739 -8.6739 -8.6739 -7.0658 -7.0658 -7.0658 -7.0658 -6.8990 -6.8990 -6.8990 -6.8990 7.6795 7.6795 7.6799 7.6799 k = 0.1393 0.6781 0.1319 ( 3324 PWs) bands (ev): -21.9488 -21.9488 -21.9488 -21.9488 -8.6651 -8.6651 -8.6651 -8.6651 -7.0799 -7.0799 -7.0799 -7.0799 -6.8990 -6.8990 -6.8990 -6.8990 7.7187 7.7187 7.7191 7.7191 k = 0.1492 0.6781 0.1319 ( 3324 PWs) bands (ev): -21.9492 -21.9492 -21.9492 -21.9492 -8.6557 -8.6557 -8.6557 -8.6557 -7.0945 -7.0945 -7.0945 -7.0945 -6.8989 -6.8989 -6.8989 -6.8989 7.7605 7.7605 7.7609 7.7609 k = 0.1592 0.6781 0.1319 ( 3320 PWs) bands (ev): -21.9498 -21.9498 -21.9498 -21.9498 -8.6459 -8.6459 -8.6459 -8.6459 -7.1096 -7.1096 -7.1096 -7.1096 -6.8989 -6.8989 -6.8989 -6.8989 7.8046 7.8046 7.8051 7.8051 k = 0.1691 0.6781 0.1319 ( 3316 PWs) bands (ev): -21.9505 -21.9505 -21.9505 -21.9505 -8.6356 -8.6356 -8.6356 -8.6356 -7.1251 -7.1251 -7.1251 -7.1251 -6.8990 -6.8990 -6.8990 -6.8990 7.8511 7.8511 7.8516 7.8516 k = 0.1791 0.6781 0.1319 ( 3312 PWs) bands (ev): -21.9512 -21.9512 -21.9512 -21.9512 -8.6248 -8.6248 -8.6248 -8.6248 -7.1408 -7.1408 -7.1408 -7.1408 -6.8991 -6.8991 -6.8991 -6.8991 7.8996 7.8997 7.9002 7.9002 k = 0.1890 0.6781 0.1319 ( 3312 PWs) bands (ev): -21.9521 -21.9521 -21.9521 -21.9521 -8.6136 -8.6136 -8.6136 -8.6136 -7.1566 -7.1566 -7.1566 -7.1566 -6.8993 -6.8993 -6.8993 -6.8993 7.9501 7.9501 7.9507 7.9507 k = 0.1989 0.6781 0.1319 ( 3310 PWs) bands (ev): -21.9531 -21.9531 -21.9531 -21.9531 -8.6020 -8.6020 -8.6020 -8.6020 -7.1725 -7.1725 -7.1725 -7.1725 -6.8996 -6.8996 -6.8996 -6.8996 8.0022 8.0022 8.0028 8.0028 k = 0.2089 0.6781 0.1319 ( 3310 PWs) bands (ev): -21.9542 -21.9542 -21.9542 -21.9542 -8.5901 -8.5901 -8.5901 -8.5901 -7.1884 -7.1884 -7.1884 -7.1884 -6.9001 -6.9001 -6.9001 -6.9001 8.0555 8.0555 8.0561 8.0561 k = 0.2188 0.6781 0.1319 ( 3310 PWs) bands (ev): -21.9555 -21.9555 -21.9555 -21.9555 -8.5778 -8.5778 -8.5778 -8.5778 -7.2041 -7.2041 -7.2041 -7.2041 -6.9006 -6.9006 -6.9006 -6.9006 8.1095 8.1095 8.1101 8.1102 k = 0.2288 0.6781 0.1319 ( 3306 PWs) bands (ev): -21.9569 -21.9569 -21.9569 -21.9569 -8.5652 -8.5652 -8.5652 -8.5652 -7.2195 -7.2195 -7.2195 -7.2195 -6.9012 -6.9012 -6.9012 -6.9012 8.1634 8.1634 8.1641 8.1641 k = 0.2387 0.6781 0.1319 ( 3306 PWs) bands (ev): -21.9585 -21.9585 -21.9585 -21.9585 -8.5524 -8.5524 -8.5524 -8.5524 -7.2345 -7.2345 -7.2345 -7.2345 -6.9020 -6.9020 -6.9020 -6.9020 8.2161 8.2161 8.2168 8.2169 k = 0.2487 0.6781 0.1319 ( 3300 PWs) bands (ev): -21.9603 -21.9603 -21.9603 -21.9603 -8.5394 -8.5394 -8.5394 -8.5394 -7.2491 -7.2491 -7.2491 -7.2491 -6.9030 -6.9030 -6.9030 -6.9030 8.2661 8.2661 8.2668 8.2668 k = 0.2586 0.6781 0.1319 ( 3300 PWs) bands (ev): -21.9622 -21.9622 -21.9622 -21.9622 -8.5261 -8.5261 -8.5261 -8.5261 -7.2630 -7.2630 -7.2630 -7.2630 -6.9041 -6.9041 -6.9041 -6.9041 8.3109 8.3109 8.3116 8.3116 k = 0.2686 0.6781 0.1319 ( 3294 PWs) bands (ev): -21.9644 -21.9644 -21.9644 -21.9644 -8.5127 -8.5127 -8.5127 -8.5127 -7.2763 -7.2763 -7.2763 -7.2763 -6.9054 -6.9054 -6.9054 -6.9054 8.3471 8.3471 8.3477 8.3477 k = 0.2785 0.6781 0.1319 ( 3294 PWs) bands (ev): -21.9667 -21.9667 -21.9667 -21.9667 -8.4992 -8.4992 -8.4992 -8.4992 -7.2888 -7.2888 -7.2888 -7.2888 -6.9069 -6.9069 -6.9069 -6.9069 8.3697 8.3697 8.3703 8.3703 k = 0.2885 0.6781 0.1319 ( 3294 PWs) bands (ev): -21.9693 -21.9693 -21.9693 -21.9693 -8.4856 -8.4856 -8.4856 -8.4856 -7.3004 -7.3004 -7.3004 -7.3004 -6.9087 -6.9087 -6.9087 -6.9087 8.3727 8.3727 8.3731 8.3732 k = 0.2984 0.6781 0.1319 ( 3292 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3111 -7.3111 -6.9106 -6.9106 -6.9106 -6.9106 8.3493 8.3493 8.3497 8.3497 k = 0.2984 0.6781 0.1319 ( 3292 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3111 -7.3111 -6.9106 -6.9106 -6.9106 -6.9106 8.3493 8.3493 8.3497 8.3497 k = 0.2944 0.6689 0.1319 ( 3292 PWs) bands (ev): -21.9652 -21.9652 -21.9652 -21.9652 -8.5048 -8.5048 -8.5048 -8.5048 -7.2859 -7.2859 -7.2859 -7.2859 -6.9058 -6.9058 -6.9058 -6.9058 8.4403 8.4403 8.4412 8.4412 k = 0.2904 0.6597 0.1319 ( 3296 PWs) bands (ev): -21.9591 -21.9591 -21.9591 -21.9591 -8.5350 -8.5350 -8.5350 -8.5350 -7.2611 -7.2611 -7.2611 -7.2611 -6.9017 -6.9017 -6.9017 -6.9017 8.4700 8.4700 8.4718 8.4718 k = 0.2863 0.6506 0.1319 ( 3302 PWs) bands (ev): -21.9538 -21.9538 -21.9538 -21.9538 -8.5625 -8.5625 -8.5625 -8.5625 -7.2368 -7.2368 -7.2368 -7.2368 -6.8983 -6.8983 -6.8983 -6.8983 8.3305 8.3305 8.3312 8.3312 k = 0.2823 0.6414 0.1319 ( 3298 PWs) bands (ev): -21.9494 -21.9494 -21.9494 -21.9494 -8.5871 -8.5871 -8.5871 -8.5871 -7.2130 -7.2130 -7.2130 -7.2130 -6.8956 -6.8956 -6.8956 -6.8956 8.1552 8.1552 8.1555 8.1555 k = 0.2783 0.6323 0.1319 ( 3294 PWs) bands (ev): -21.9459 -21.9459 -21.9459 -21.9459 -8.6088 -8.6088 -8.6088 -8.6088 -7.1898 -7.1898 -7.1898 -7.1898 -6.8936 -6.8936 -6.8936 -6.8936 7.9757 7.9757 7.9759 7.9759 k = 0.2742 0.6231 0.1319 ( 3294 PWs) bands (ev): -21.9432 -21.9432 -21.9432 -21.9432 -8.6275 -8.6275 -8.6275 -8.6275 -7.1670 -7.1670 -7.1670 -7.1670 -6.8924 -6.8924 -6.8924 -6.8924 7.7960 7.7960 7.7962 7.7962 k = 0.2702 0.6139 0.1319 ( 3294 PWs) bands (ev): -21.9415 -21.9415 -21.9415 -21.9415 -8.6433 -8.6433 -8.6433 -8.6433 -7.1449 -7.1449 -7.1449 -7.1449 -6.8920 -6.8920 -6.8920 -6.8920 7.6171 7.6171 7.6173 7.6173 k = 0.2662 0.6048 0.1319 ( 3290 PWs) bands (ev): -21.9407 -21.9407 -21.9407 -21.9407 -8.6561 -8.6561 -8.6561 -8.6561 -7.1234 -7.1234 -7.1234 -7.1234 -6.8923 -6.8923 -6.8923 -6.8923 7.4397 7.4397 7.4399 7.4399 k = 0.2621 0.5956 0.1319 ( 3302 PWs) bands (ev): -21.9409 -21.9409 -21.9409 -21.9409 -8.6658 -8.6658 -8.6658 -8.6658 -7.1026 -7.1026 -7.1026 -7.1026 -6.8934 -6.8934 -6.8934 -6.8934 7.2640 7.2640 7.2642 7.2642 k = 0.2581 0.5864 0.1319 ( 3310 PWs) bands (ev): -21.9420 -21.9420 -21.9420 -21.9420 -8.6725 -8.6725 -8.6725 -8.6725 -7.0825 -7.0825 -7.0825 -7.0825 -6.8953 -6.8953 -6.8953 -6.8953 7.0902 7.0902 7.0904 7.0904 k = 0.2541 0.5773 0.1319 ( 3318 PWs) bands (ev): -21.9441 -21.9441 -21.9441 -21.9441 -8.6760 -8.6760 -8.6760 -8.6760 -7.0630 -7.0630 -7.0630 -7.0630 -6.8980 -6.8980 -6.8980 -6.8980 6.9185 6.9185 6.9186 6.9186 k = 0.2500 0.5681 0.1319 ( 3314 PWs) bands (ev): -21.9471 -21.9471 -21.9471 -21.9471 -8.6765 -8.6765 -8.6765 -8.6765 -7.0443 -7.0443 -7.0443 -7.0443 -6.9014 -6.9014 -6.9014 -6.9014 6.7489 6.7489 6.7491 6.7491 k = 0.2460 0.5590 0.1319 ( 3318 PWs) bands (ev): -21.9511 -21.9511 -21.9511 -21.9511 -8.6739 -8.6739 -8.6739 -8.6739 -7.0264 -7.0264 -7.0264 -7.0264 -6.9055 -6.9055 -6.9055 -6.9055 6.5816 6.5816 6.5818 6.5818 k = 0.2420 0.5498 0.1319 ( 3322 PWs) bands (ev): -21.9560 -21.9560 -21.9560 -21.9560 -8.6682 -8.6682 -8.6682 -8.6682 -7.0093 -7.0093 -7.0093 -7.0093 -6.9104 -6.9104 -6.9104 -6.9104 6.4166 6.4166 6.4168 6.4168 k = 0.2379 0.5406 0.1319 ( 3318 PWs) bands (ev): -21.9618 -21.9618 -21.9618 -21.9618 -8.6595 -8.6595 -8.6595 -8.6595 -6.9931 -6.9931 -6.9931 -6.9931 -6.9159 -6.9159 -6.9159 -6.9159 6.2540 6.2540 6.2542 6.2542 k = 0.2339 0.5315 0.1319 ( 3322 PWs) bands (ev): -21.9686 -21.9686 -21.9686 -21.9686 -8.6477 -8.6477 -8.6477 -8.6477 -6.9781 -6.9781 -6.9781 -6.9781 -6.9217 -6.9217 -6.9217 -6.9217 6.0938 6.0938 6.0940 6.0940 k = 0.2299 0.5223 0.1319 ( 3326 PWs) bands (ev): -21.9763 -21.9763 -21.9763 -21.9763 -8.6328 -8.6328 -8.6328 -8.6328 -6.9650 -6.9650 -6.9650 -6.9650 -6.9272 -6.9272 -6.9272 -6.9272 5.9360 5.9360 5.9362 5.9362 k = 0.2258 0.5131 0.1319 ( 3320 PWs) bands (ev): -21.9849 -21.9849 -21.9849 -21.9849 -8.6150 -8.6150 -8.6150 -8.6150 -6.9562 -6.9562 -6.9562 -6.9562 -6.9299 -6.9299 -6.9299 -6.9299 5.7807 5.7807 5.7809 5.7809 k = 0.2218 0.5040 0.1319 ( 3318 PWs) bands (ev): -21.9944 -21.9944 -21.9944 -21.9944 -8.5942 -8.5942 -8.5942 -8.5942 -6.9564 -6.9564 -6.9564 -6.9564 -6.9250 -6.9250 -6.9250 -6.9250 5.6278 5.6278 5.6280 5.6280 k = 0.2178 0.4948 0.1319 ( 3322 PWs) bands (ev): -22.0047 -22.0047 -22.0047 -22.0047 -8.5705 -8.5705 -8.5705 -8.5705 -6.9632 -6.9632 -6.9632 -6.9632 -6.9152 -6.9152 -6.9152 -6.9152 5.4775 5.4775 5.4777 5.4777 k = 0.2137 0.4856 0.1319 ( 3326 PWs) bands (ev): -22.0158 -22.0158 -22.0158 -22.0158 -8.5439 -8.5439 -8.5439 -8.5439 -6.9724 -6.9724 -6.9724 -6.9724 -6.9044 -6.9044 -6.9044 -6.9044 5.3297 5.3297 5.3299 5.3299 k = 0.2097 0.4765 0.1319 ( 3334 PWs) bands (ev): -22.0277 -22.0277 -22.0277 -22.0277 -8.5145 -8.5145 -8.5145 -8.5145 -6.9829 -6.9829 -6.9829 -6.9829 -6.8938 -6.8938 -6.8938 -6.8938 5.1845 5.1845 5.1847 5.1847 k = 0.2057 0.4673 0.1319 ( 3330 PWs) bands (ev): -22.0404 -22.0404 -22.0404 -22.0404 -8.4824 -8.4824 -8.4824 -8.4824 -6.9943 -6.9943 -6.9943 -6.9943 -6.8836 -6.8836 -6.8836 -6.8836 5.0417 5.0417 5.0419 5.0419 k = 0.2016 0.4582 0.1319 ( 3330 PWs) bands (ev): -22.0538 -22.0538 -22.0538 -22.0538 -8.4476 -8.4476 -8.4476 -8.4476 -7.0064 -7.0064 -7.0064 -7.0064 -6.8741 -6.8741 -6.8741 -6.8741 4.9016 4.9016 4.9018 4.9018 k = 0.1976 0.4490 0.1319 ( 3330 PWs) bands (ev): -22.0679 -22.0679 -22.0679 -22.0679 -8.4101 -8.4101 -8.4101 -8.4101 -7.0193 -7.0193 -7.0193 -7.0193 -6.8653 -6.8653 -6.8653 -6.8653 4.7640 4.7640 4.7642 4.7642 k = 0.1936 0.4398 0.1319 ( 3334 PWs) bands (ev): -22.0826 -22.0826 -22.0826 -22.0826 -8.3702 -8.3702 -8.3702 -8.3702 -7.0327 -7.0327 -7.0327 -7.0327 -6.8572 -6.8572 -6.8572 -6.8572 4.6290 4.6290 4.6292 4.6292 k = 0.1895 0.4307 0.1319 ( 3330 PWs) bands (ev): -22.0979 -22.0979 -22.0979 -22.0979 -8.3277 -8.3277 -8.3277 -8.3277 -7.0468 -7.0468 -7.0468 -7.0468 -6.8497 -6.8497 -6.8497 -6.8497 4.4966 4.4966 4.4968 4.4968 k = 0.1855 0.4215 0.1319 ( 3334 PWs) bands (ev): -22.1138 -22.1138 -22.1138 -22.1138 -8.2829 -8.2829 -8.2829 -8.2829 -7.0613 -7.0613 -7.0613 -7.0613 -6.8430 -6.8430 -6.8430 -6.8430 4.3667 4.3667 4.3669 4.3669 k = 0.1815 0.4123 0.1319 ( 3342 PWs) bands (ev): -22.1303 -22.1303 -22.1303 -22.1303 -8.2359 -8.2359 -8.2359 -8.2359 -7.0764 -7.0764 -7.0764 -7.0764 -6.8369 -6.8369 -6.8369 -6.8369 4.2395 4.2395 4.2397 4.2397 k = 0.1774 0.4032 0.1319 ( 3338 PWs) bands (ev): -22.1472 -22.1472 -22.1472 -22.1472 -8.1867 -8.1867 -8.1867 -8.1867 -7.0919 -7.0919 -7.0919 -7.0919 -6.8314 -6.8314 -6.8314 -6.8314 4.1149 4.1149 4.1151 4.1151 k = 0.1734 0.3940 0.1319 ( 3342 PWs) bands (ev): -22.1646 -22.1646 -22.1646 -22.1646 -8.1354 -8.1354 -8.1354 -8.1354 -7.1078 -7.1078 -7.1078 -7.1078 -6.8267 -6.8267 -6.8267 -6.8267 3.9929 3.9929 3.9931 3.9931 k = 0.1694 0.3849 0.1319 ( 3342 PWs) bands (ev): -22.1823 -22.1823 -22.1823 -22.1823 -8.0821 -8.0821 -8.0821 -8.0821 -7.1241 -7.1241 -7.1241 -7.1241 -6.8225 -6.8225 -6.8225 -6.8225 3.8734 3.8734 3.8736 3.8736 k = 0.1653 0.3757 0.1319 ( 3338 PWs) bands (ev): -22.2004 -22.2004 -22.2004 -22.2004 -8.0270 -8.0270 -8.0270 -8.0270 -7.1407 -7.1407 -7.1407 -7.1407 -6.8190 -6.8190 -6.8190 -6.8190 3.7566 3.7566 3.7568 3.7568 k = 0.1613 0.3665 0.1319 ( 3334 PWs) bands (ev): -22.2188 -22.2188 -22.2188 -22.2188 -7.9701 -7.9701 -7.9701 -7.9701 -7.1576 -7.1576 -7.1576 -7.1576 -6.8160 -6.8160 -6.8160 -6.8160 3.6425 3.6425 3.6427 3.6427 k = 0.1573 0.3574 0.1319 ( 3334 PWs) bands (ev): -22.2375 -22.2375 -22.2375 -22.2375 -7.9117 -7.9117 -7.9117 -7.9117 -7.1747 -7.1747 -7.1747 -7.1747 -6.8136 -6.8136 -6.8136 -6.8136 3.5309 3.5309 3.5311 3.5311 k = 0.1532 0.3482 0.1319 ( 3338 PWs) bands (ev): -22.2563 -22.2563 -22.2563 -22.2563 -7.8517 -7.8517 -7.8517 -7.8517 -7.1920 -7.1920 -7.1920 -7.1920 -6.8117 -6.8117 -6.8117 -6.8117 3.4219 3.4219 3.4222 3.4222 k = 0.1492 0.3390 0.1319 ( 3348 PWs) bands (ev): -22.2754 -22.2754 -22.2754 -22.2754 -7.7904 -7.7904 -7.7904 -7.7904 -7.2096 -7.2096 -7.2096 -7.2096 -6.8103 -6.8103 -6.8103 -6.8103 3.3156 3.3156 3.3158 3.3158 k = 0.1452 0.3299 0.1319 ( 3344 PWs) bands (ev): -22.2945 -22.2945 -22.2945 -22.2945 -7.7279 -7.7279 -7.7279 -7.7279 -7.2272 -7.2272 -7.2272 -7.2272 -6.8094 -6.8094 -6.8094 -6.8094 3.2120 3.2120 3.2122 3.2122 k = 0.1411 0.3207 0.1319 ( 3336 PWs) bands (ev): -22.3137 -22.3137 -22.3137 -22.3137 -7.6644 -7.6644 -7.6644 -7.6644 -7.2449 -7.2449 -7.2449 -7.2449 -6.8090 -6.8090 -6.8090 -6.8090 3.1109 3.1109 3.1111 3.1111 k = 0.1371 0.3115 0.1319 ( 3332 PWs) bands (ev): -22.3329 -22.3329 -22.3329 -22.3329 -7.5999 -7.5999 -7.5999 -7.5999 -7.2626 -7.2626 -7.2626 -7.2626 -6.8089 -6.8089 -6.8089 -6.8089 3.0125 3.0125 3.0127 3.0127 k = 0.1331 0.3024 0.1319 ( 3338 PWs) bands (ev): -22.3521 -22.3521 -22.3521 -22.3521 -7.5346 -7.5346 -7.5346 -7.5346 -7.2802 -7.2802 -7.2802 -7.2802 -6.8093 -6.8093 -6.8093 -6.8093 2.9167 2.9167 2.9169 2.9169 k = 0.1290 0.2932 0.1319 ( 3342 PWs) bands (ev): -22.3713 -22.3713 -22.3713 -22.3713 -7.4689 -7.4689 -7.4689 -7.4689 -7.2977 -7.2977 -7.2977 -7.2977 -6.8100 -6.8100 -6.8100 -6.8100 2.8236 2.8236 2.8238 2.8238 k = 0.1250 0.2841 0.1319 ( 3338 PWs) bands (ev): -22.3903 -22.3903 -22.3903 -22.3903 -7.4032 -7.4032 -7.4032 -7.4032 -7.3145 -7.3145 -7.3145 -7.3145 -6.8111 -6.8111 -6.8111 -6.8111 2.7331 2.7331 2.7333 2.7333 k = 0.1210 0.2749 0.1319 ( 3336 PWs) bands (ev): -22.4092 -22.4092 -22.4092 -22.4092 -7.3469 -7.3469 -7.3469 -7.3469 -7.3215 -7.3215 -7.3215 -7.3215 -6.8125 -6.8125 -6.8125 -6.8125 2.6453 2.6453 2.6455 2.6455 k = 0.1169 0.2657 0.1319 ( 3332 PWs) bands (ev): -22.4278 -22.4278 -22.4278 -22.4278 -7.3532 -7.3532 -7.3532 -7.3532 -7.2655 -7.2655 -7.2655 -7.2655 -6.8141 -6.8141 -6.8141 -6.8141 2.5602 2.5602 2.5604 2.5604 k = 0.1129 0.2566 0.1319 ( 3334 PWs) bands (ev): -22.4463 -22.4463 -22.4463 -22.4463 -7.3695 -7.3695 -7.3695 -7.3695 -7.1994 -7.1994 -7.1994 -7.1994 -6.8160 -6.8160 -6.8160 -6.8160 2.4777 2.4777 2.4779 2.4779 k = 0.1089 0.2474 0.1319 ( 3334 PWs) bands (ev): -22.4644 -22.4644 -22.4644 -22.4644 -7.3862 -7.3862 -7.3862 -7.3862 -7.1328 -7.1328 -7.1328 -7.1328 -6.8180 -6.8180 -6.8180 -6.8180 2.3979 2.3979 2.3981 2.3981 k = 0.1049 0.2382 0.1319 ( 3338 PWs) bands (ev): -22.4823 -22.4823 -22.4823 -22.4823 -7.4027 -7.4027 -7.4027 -7.4027 -7.0664 -7.0664 -7.0664 -7.0664 -6.8202 -6.8202 -6.8202 -6.8202 2.3207 2.3207 2.3209 2.3209 k = 0.1008 0.2291 0.1319 ( 3342 PWs) bands (ev): -22.4998 -22.4998 -22.4998 -22.4998 -7.4191 -7.4191 -7.4191 -7.4191 -7.0005 -7.0005 -7.0005 -7.0005 -6.8225 -6.8225 -6.8225 -6.8225 2.2463 2.2463 2.2465 2.2465 k = 0.0968 0.2199 0.1319 ( 3334 PWs) bands (ev): -22.5169 -22.5169 -22.5169 -22.5169 -7.4351 -7.4351 -7.4351 -7.4351 -6.9355 -6.9355 -6.9355 -6.9355 -6.8246 -6.8246 -6.8246 -6.8246 2.1746 2.1746 2.1748 2.1748 k = 0.0928 0.2108 0.1319 ( 3342 PWs) bands (ev): -22.5335 -22.5335 -22.5335 -22.5335 -7.4507 -7.4507 -7.4507 -7.4507 -6.8731 -6.8731 -6.8731 -6.8731 -6.8251 -6.8251 -6.8251 -6.8251 2.1056 2.1056 2.1058 2.1058 k = 0.0887 0.2016 0.1319 ( 3338 PWs) bands (ev): -22.5498 -22.5498 -22.5498 -22.5498 -7.4660 -7.4660 -7.4660 -7.4660 -6.8372 -6.8372 -6.8372 -6.8372 -6.8000 -6.8000 -6.8000 -6.8000 2.0393 2.0393 2.0395 2.0395 k = 0.0847 0.1924 0.1319 ( 3338 PWs) bands (ev): -22.5655 -22.5655 -22.5655 -22.5655 -7.4808 -7.4808 -7.4808 -7.4808 -6.8366 -6.8366 -6.8366 -6.8366 -6.7410 -6.7410 -6.7410 -6.7410 1.9757 1.9757 1.9759 1.9759 k = 0.0807 0.1833 0.1319 ( 3334 PWs) bands (ev): -22.5807 -22.5807 -22.5807 -22.5807 -7.4951 -7.4951 -7.4951 -7.4951 -6.8388 -6.8388 -6.8388 -6.8388 -6.6805 -6.6805 -6.6805 -6.6805 1.9149 1.9149 1.9151 1.9151 k = 0.0766 0.1741 0.1319 ( 3342 PWs) bands (ev): -22.5953 -22.5953 -22.5953 -22.5953 -7.5090 -7.5090 -7.5090 -7.5090 -6.8415 -6.8415 -6.8415 -6.8415 -6.6211 -6.6211 -6.6211 -6.6211 1.8569 1.8569 1.8571 1.8571 k = 0.0726 0.1649 0.1319 ( 3344 PWs) bands (ev): -22.6094 -22.6094 -22.6094 -22.6094 -7.5223 -7.5223 -7.5223 -7.5223 -6.8444 -6.8444 -6.8444 -6.8444 -6.5632 -6.5632 -6.5632 -6.5632 1.8017 1.8017 1.8019 1.8019 k = 0.0686 0.1558 0.1319 ( 3348 PWs) bands (ev): -22.6229 -22.6229 -22.6229 -22.6229 -7.5351 -7.5351 -7.5351 -7.5351 -6.8472 -6.8472 -6.8472 -6.8472 -6.5072 -6.5072 -6.5072 -6.5072 1.7493 1.7493 1.7495 1.7495 k = 0.0645 0.1466 0.1319 ( 3348 PWs) bands (ev): -22.6357 -22.6357 -22.6357 -22.6357 -7.5472 -7.5472 -7.5472 -7.5472 -6.8500 -6.8500 -6.8500 -6.8500 -6.4532 -6.4532 -6.4532 -6.4532 1.6997 1.6997 1.6999 1.6999 k = 0.0605 0.1374 0.1319 ( 3344 PWs) bands (ev): -22.6479 -22.6479 -22.6479 -22.6479 -7.5588 -7.5588 -7.5588 -7.5588 -6.8528 -6.8528 -6.8528 -6.8528 -6.4013 -6.4013 -6.4013 -6.4013 1.6529 1.6529 1.6531 1.6531 k = 0.0565 0.1283 0.1319 ( 3340 PWs) bands (ev): -22.6594 -22.6594 -22.6594 -22.6594 -7.5697 -7.5697 -7.5697 -7.5697 -6.8555 -6.8555 -6.8555 -6.8555 -6.3519 -6.3519 -6.3519 -6.3519 1.6091 1.6091 1.6093 1.6093 k = 0.0524 0.1191 0.1319 ( 3340 PWs) bands (ev): -22.6702 -22.6702 -22.6702 -22.6702 -7.5800 -7.5800 -7.5800 -7.5800 -6.8581 -6.8581 -6.8581 -6.8581 -6.3051 -6.3051 -6.3051 -6.3051 1.5681 1.5681 1.5683 1.5683 k = 0.0484 0.1100 0.1319 ( 3344 PWs) bands (ev): -22.6802 -22.6802 -22.6802 -22.6802 -7.5896 -7.5896 -7.5896 -7.5896 -6.8606 -6.8606 -6.8606 -6.8606 -6.2610 -6.2610 -6.2610 -6.2610 1.5300 1.5300 1.5302 1.5302 k = 0.0444 0.1008 0.1319 ( 3352 PWs) bands (ev): -22.6896 -22.6896 -22.6896 -22.6896 -7.5985 -7.5985 -7.5985 -7.5985 -6.8630 -6.8630 -6.8630 -6.8630 -6.2197 -6.2197 -6.2197 -6.2197 1.4949 1.4949 1.4951 1.4951 k = 0.0403 0.0916 0.1319 ( 3352 PWs) bands (ev): -22.6981 -22.6981 -22.6981 -22.6981 -7.6067 -7.6067 -7.6067 -7.6067 -6.8652 -6.8652 -6.8652 -6.8652 -6.1815 -6.1815 -6.1815 -6.1815 1.4627 1.4627 1.4629 1.4629 k = 0.0363 0.0825 0.1319 ( 3352 PWs) bands (ev): -22.7060 -22.7060 -22.7060 -22.7060 -7.6141 -7.6141 -7.6141 -7.6141 -6.8672 -6.8672 -6.8672 -6.8672 -6.1465 -6.1465 -6.1465 -6.1465 1.4335 1.4335 1.4337 1.4337 k = 0.0323 0.0733 0.1319 ( 3348 PWs) bands (ev): -22.7130 -22.7130 -22.7130 -22.7130 -7.6208 -7.6208 -7.6208 -7.6208 -6.8690 -6.8690 -6.8690 -6.8690 -6.1148 -6.1148 -6.1148 -6.1148 1.4073 1.4073 1.4075 1.4075 k = 0.0282 0.0641 0.1319 ( 3344 PWs) bands (ev): -22.7192 -22.7192 -22.7192 -22.7192 -7.6268 -7.6268 -7.6268 -7.6268 -6.8707 -6.8707 -6.8707 -6.8707 -6.0865 -6.0865 -6.0865 -6.0865 1.3842 1.3842 1.3843 1.3843 k = 0.0242 0.0550 0.1319 ( 3348 PWs) bands (ev): -22.7246 -22.7246 -22.7246 -22.7246 -7.6320 -7.6320 -7.6320 -7.6320 -6.8721 -6.8721 -6.8721 -6.8721 -6.0617 -6.0617 -6.0617 -6.0617 1.3640 1.3640 1.3642 1.3642 k = 0.0202 0.0458 0.1319 ( 3340 PWs) bands (ev): -22.7292 -22.7292 -22.7292 -22.7292 -7.6364 -7.6364 -7.6364 -7.6364 -6.8734 -6.8734 -6.8734 -6.8734 -6.0406 -6.0406 -6.0406 -6.0406 1.3470 1.3470 1.3472 1.3472 k = 0.0161 0.0367 0.1319 ( 3342 PWs) bands (ev): -22.7330 -22.7330 -22.7330 -22.7330 -7.6400 -7.6400 -7.6400 -7.6400 -6.8744 -6.8744 -6.8744 -6.8744 -6.0232 -6.0232 -6.0232 -6.0232 1.3330 1.3330 1.3332 1.3332 k = 0.0121 0.0275 0.1319 ( 3342 PWs) bands (ev): -22.7359 -22.7359 -22.7359 -22.7359 -7.6428 -7.6428 -7.6428 -7.6428 -6.8752 -6.8752 -6.8752 -6.8752 -6.0096 -6.0096 -6.0096 -6.0096 1.3221 1.3221 1.3223 1.3223 k = 0.0081 0.0183 0.1319 ( 3342 PWs) bands (ev): -22.7380 -22.7380 -22.7380 -22.7380 -7.6448 -7.6448 -7.6448 -7.6448 -6.8758 -6.8758 -6.8758 -6.8758 -5.9999 -5.9999 -5.9999 -5.9999 1.3143 1.3143 1.3145 1.3145 k = 0.0040 0.0092 0.1319 ( 3354 PWs) bands (ev): -22.7393 -22.7393 -22.7393 -22.7393 -7.6460 -7.6460 -7.6460 -7.6460 -6.8762 -6.8762 -6.8762 -6.8762 -5.9940 -5.9940 -5.9940 -5.9940 1.3097 1.3097 1.3099 1.3099 k = 0.0000 0.0000 0.1319 ( 3354 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6464 -7.6464 -7.6464 -7.6464 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9921 -5.9921 1.3081 1.3081 1.3083 1.3083 k = 0.0000 0.0000 0.1319 ( 3354 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6464 -7.6464 -7.6464 -7.6464 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9921 -5.9921 1.3081 1.3081 1.3083 1.3083 k = 0.0000 0.0000 0.1225 ( 3352 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6473 -7.6473 -7.6455 -7.6455 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.2676 1.2676 1.3512 1.3512 k = 0.0000 0.0000 0.1131 ( 3346 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6482 -7.6482 -7.6447 -7.6447 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.2296 1.2296 1.3963 1.3963 k = 0.0000 0.0000 0.1036 ( 3342 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6490 -7.6490 -7.6438 -7.6438 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.1943 1.1943 1.4435 1.4435 k = 0.0000 0.0000 0.0942 ( 3342 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6499 -7.6499 -7.6430 -7.6430 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.1617 1.1617 1.4923 1.4923 k = 0.0000 0.0000 0.0848 ( 3344 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6507 -7.6507 -7.6422 -7.6422 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9921 -5.9921 1.1321 1.1321 1.5425 1.5425 k = 0.0000 0.0000 0.0754 ( 3336 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6514 -7.6514 -7.6415 -7.6415 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9921 -5.9921 1.1053 1.1053 1.5935 1.5935 k = 0.0000 0.0000 0.0660 ( 3332 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6520 -7.6520 -7.6408 -7.6408 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.0816 1.0816 1.6447 1.6447 k = 0.0000 0.0000 0.0565 ( 3332 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6526 -7.6526 -7.6402 -7.6402 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0609 1.0609 1.6953 1.6953 k = 0.0000 0.0000 0.0471 ( 3326 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6531 -7.6531 -7.6397 -7.6397 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.0433 1.0433 1.7440 1.7440 k = 0.0000 0.0000 0.0377 ( 3328 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6536 -7.6536 -7.6393 -7.6393 -6.8763 -6.8763 -6.8763 -6.8763 -5.9920 -5.9920 -5.9920 -5.9920 1.0289 1.0289 1.7892 1.7892 k = 0.0000 0.0000 0.0283 ( 3328 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6539 -7.6539 -7.6389 -7.6389 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0177 1.0177 1.8289 1.8289 k = 0.0000 0.0000 0.0188 ( 3323 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6541 -7.6541 -7.6387 -7.6387 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0096 1.0096 1.8604 1.8604 k = 0.0000 0.0000 0.0094 ( 3329 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6543 -7.6543 -7.6385 -7.6385 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0048 1.0048 1.8808 1.8808 k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6544 -7.6544 -7.6385 -7.6385 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0032 1.0032 1.8880 1.8880 k = 0.0000 0.0000 0.0000 ( 3329 PWs) bands (ev): -22.7398 -22.7398 -22.7397 -22.7397 -7.6544 -7.6544 -7.6385 -7.6385 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9920 -5.9920 1.0032 1.0032 1.8880 1.8880 k =-0.0093 0.0041 0.0000 ( 3335 PWs) bands (ev): -22.7396 -22.7396 -22.7395 -22.7395 -7.6541 -7.6541 -7.6382 -7.6382 -6.8776 -6.8776 -6.8776 -6.8776 -5.9921 -5.9921 -5.9921 -5.9921 1.0049 1.0049 1.8893 1.8893 k =-0.0185 0.0082 0.0000 ( 3328 PWs) bands (ev): -22.7390 -22.7390 -22.7389 -22.7389 -7.6533 -7.6533 -7.6375 -7.6375 -6.8816 -6.8816 -6.8816 -6.8816 -5.9924 -5.9924 -5.9924 -5.9924 1.0102 1.0102 1.8931 1.8931 k =-0.0278 0.0122 0.0000 ( 3322 PWs) bands (ev): -22.7380 -22.7380 -22.7379 -22.7379 -7.6520 -7.6520 -7.6362 -7.6362 -6.8882 -6.8882 -6.8882 -6.8882 -5.9928 -5.9928 -5.9928 -5.9928 1.0189 1.0189 1.8995 1.8995 k =-0.0370 0.0163 0.0000 ( 3328 PWs) bands (ev): -22.7366 -22.7366 -22.7365 -22.7365 -7.6502 -7.6502 -7.6345 -7.6345 -6.8974 -6.8974 -6.8974 -6.8974 -5.9934 -5.9934 -5.9934 -5.9934 1.0310 1.0310 1.9085 1.9085 k =-0.0463 0.0204 0.0000 ( 3332 PWs) bands (ev): -22.7348 -22.7348 -22.7347 -22.7347 -7.6478 -7.6478 -7.6322 -7.6322 -6.9092 -6.9092 -6.9092 -6.9092 -5.9941 -5.9941 -5.9941 -5.9941 1.0466 1.0466 1.9200 1.9200 k =-0.0556 0.0245 0.0000 ( 3332 PWs) bands (ev): -22.7326 -22.7326 -22.7325 -22.7325 -7.6450 -7.6450 -7.6295 -7.6295 -6.9235 -6.9235 -6.9234 -6.9234 -5.9951 -5.9951 -5.9950 -5.9950 1.0657 1.0657 1.9341 1.9341 k =-0.0648 0.0285 0.0000 ( 3336 PWs) bands (ev): -22.7301 -22.7301 -22.7300 -22.7300 -7.6417 -7.6417 -7.6262 -7.6262 -6.9402 -6.9402 -6.9401 -6.9401 -5.9961 -5.9961 -5.9961 -5.9961 1.0882 1.0882 1.9508 1.9508 k =-0.0741 0.0326 0.0000 ( 3336 PWs) bands (ev): -22.7272 -22.7272 -22.7271 -22.7271 -7.6378 -7.6378 -7.6226 -7.6226 -6.9593 -6.9593 -6.9591 -6.9591 -5.9974 -5.9974 -5.9973 -5.9973 1.1140 1.1140 1.9700 1.9700 k =-0.0833 0.0367 0.0000 ( 3332 PWs) bands (ev): -22.7239 -22.7239 -22.7238 -22.7238 -7.6335 -7.6335 -7.6184 -7.6184 -6.9806 -6.9806 -6.9803 -6.9803 -5.9987 -5.9987 -5.9987 -5.9987 1.1432 1.1432 1.9919 1.9919 k =-0.0926 0.0408 0.0000 ( 3336 PWs) bands (ev): -22.7203 -22.7203 -22.7202 -22.7202 -7.6288 -7.6288 -7.6138 -7.6138 -7.0040 -7.0040 -7.0038 -7.0038 -6.0003 -6.0003 -6.0002 -6.0002 1.1757 1.1757 2.0162 2.0162 k =-0.1019 0.0448 0.0000 ( 3340 PWs) bands (ev): -22.7163 -22.7163 -22.7162 -22.7162 -7.6236 -7.6236 -7.6088 -7.6088 -7.0296 -7.0296 -7.0293 -7.0293 -6.0019 -6.0019 -6.0019 -6.0019 1.2115 1.2115 2.0432 2.0432 k =-0.1111 0.0489 0.0000 ( 3352 PWs) bands (ev): -22.7120 -22.7120 -22.7119 -22.7119 -7.6179 -7.6179 -7.6034 -7.6034 -7.0570 -7.0570 -7.0567 -7.0567 -6.0037 -6.0037 -6.0037 -6.0037 1.2505 1.2505 2.0727 2.0727 k =-0.1204 0.0530 0.0000 ( 3356 PWs) bands (ev): -22.7074 -22.7074 -22.7073 -22.7073 -7.6119 -7.6119 -7.5976 -7.5976 -7.0863 -7.0863 -7.0859 -7.0859 -6.0057 -6.0057 -6.0056 -6.0056 1.2928 1.2928 2.1048 2.1048 k =-0.1296 0.0571 0.0000 ( 3352 PWs) bands (ev): -22.7025 -22.7025 -22.7024 -22.7024 -7.6055 -7.6055 -7.5914 -7.5914 -7.1172 -7.1172 -7.1168 -7.1168 -6.0077 -6.0077 -6.0077 -6.0077 1.3382 1.3382 2.1395 2.1395 k =-0.1389 0.0611 0.0000 ( 3350 PWs) bands (ev): -22.6973 -22.6973 -22.6972 -22.6972 -7.5987 -7.5987 -7.5848 -7.5848 -7.1497 -7.1497 -7.1492 -7.1492 -6.0099 -6.0099 -6.0098 -6.0098 1.3868 1.3868 2.1767 2.1767 k =-0.1481 0.0652 0.0000 ( 3350 PWs) bands (ev): -22.6918 -22.6918 -22.6917 -22.6917 -7.5915 -7.5915 -7.5779 -7.5779 -7.1836 -7.1836 -7.1831 -7.1831 -6.0121 -6.0121 -6.0121 -6.0121 1.4385 1.4385 2.2166 2.2166 k =-0.1574 0.0693 0.0000 ( 3354 PWs) bands (ev): -22.6861 -22.6861 -22.6860 -22.6860 -7.5840 -7.5840 -7.5707 -7.5707 -7.2188 -7.2188 -7.2182 -7.2182 -6.0145 -6.0145 -6.0145 -6.0145 1.4933 1.4933 2.2590 2.2590 k =-0.1667 0.0734 0.0000 ( 3338 PWs) bands (ev): -22.6801 -22.6801 -22.6800 -22.6800 -7.5763 -7.5763 -7.5633 -7.5633 -7.2550 -7.2550 -7.2544 -7.2544 -6.0170 -6.0170 -6.0169 -6.0169 1.5511 1.5511 2.3040 2.3040 k =-0.1759 0.0774 0.0000 ( 3342 PWs) bands (ev): -22.6740 -22.6740 -22.6739 -22.6739 -7.5682 -7.5682 -7.5555 -7.5555 -7.2923 -7.2923 -7.2916 -7.2916 -6.0195 -6.0195 -6.0195 -6.0195 1.6119 1.6119 2.3515 2.3515 k =-0.1852 0.0815 0.0000 ( 3348 PWs) bands (ev): -22.6676 -22.6676 -22.6675 -22.6675 -7.5600 -7.5600 -7.5476 -7.5476 -7.3304 -7.3304 -7.3297 -7.3297 -6.0221 -6.0221 -6.0221 -6.0221 1.6756 1.6756 2.4017 2.4017 k =-0.1944 0.0856 0.0000 ( 3348 PWs) bands (ev): -22.6611 -22.6611 -22.6610 -22.6610 -7.5516 -7.5516 -7.5395 -7.5395 -7.3691 -7.3691 -7.3683 -7.3683 -6.0248 -6.0248 -6.0248 -6.0248 1.7423 1.7423 2.4545 2.4545 k =-0.2037 0.0897 0.0000 ( 3350 PWs) bands (ev): -22.6544 -22.6544 -22.6543 -22.6543 -7.5430 -7.5430 -7.5314 -7.5314 -7.4082 -7.4082 -7.4075 -7.4075 -6.0275 -6.0275 -6.0275 -6.0275 1.8120 1.8120 2.5098 2.5098 k =-0.2130 0.0937 0.0000 ( 3350 PWs) bands (ev): -22.6475 -22.6475 -22.6474 -22.6474 -7.5347 -7.5347 -7.5235 -7.5235 -7.4473 -7.4473 -7.4467 -7.4467 -6.0303 -6.0303 -6.0303 -6.0303 1.8844 1.8844 2.5678 2.5678 k =-0.2222 0.0978 0.0000 ( 3350 PWs) bands (ev): -22.6406 -22.6406 -22.6405 -22.6405 -7.5276 -7.5276 -7.5178 -7.5178 -7.4848 -7.4848 -7.4843 -7.4843 -6.0331 -6.0331 -6.0331 -6.0331 1.9598 1.9598 2.6283 2.6283 k =-0.2315 0.1019 0.0000 ( 3344 PWs) bands (ev): -22.6335 -22.6335 -22.6335 -22.6335 -7.5356 -7.5356 -7.5343 -7.5343 -7.5078 -7.5078 -7.4992 -7.4992 -6.0359 -6.0359 -6.0359 -6.0359 2.0379 2.0379 2.6915 2.6915 k =-0.2407 0.1060 0.0000 ( 3342 PWs) bands (ev): -22.6265 -22.6265 -22.6264 -22.6264 -7.5718 -7.5718 -7.5712 -7.5712 -7.5032 -7.5032 -7.4931 -7.4931 -6.0388 -6.0388 -6.0388 -6.0388 2.1189 2.1189 2.7572 2.7572 k =-0.2500 0.1100 0.0000 ( 3350 PWs) bands (ev): -22.6193 -22.6193 -22.6192 -22.6192 -7.6112 -7.6112 -7.6104 -7.6104 -7.4948 -7.4948 -7.4848 -7.4848 -6.0417 -6.0417 -6.0416 -6.0416 2.2027 2.2027 2.8255 2.8255 k =-0.2593 0.1141 0.0000 ( 3354 PWs) bands (ev): -22.6122 -22.6122 -22.6121 -22.6121 -7.6507 -7.6507 -7.6499 -7.6499 -7.4858 -7.4858 -7.4761 -7.4761 -6.0445 -6.0445 -6.0445 -6.0445 2.2892 2.2892 2.8965 2.8965 k =-0.2685 0.1182 0.0000 ( 3354 PWs) bands (ev): -22.6050 -22.6050 -22.6050 -22.6050 -7.6900 -7.6900 -7.6892 -7.6892 -7.4766 -7.4766 -7.4672 -7.4672 -6.0474 -6.0474 -6.0473 -6.0473 2.3784 2.3784 2.9700 2.9700 k =-0.2778 0.1223 0.0000 ( 3352 PWs) bands (ev): -22.5979 -22.5979 -22.5978 -22.5978 -7.7289 -7.7289 -7.7280 -7.7280 -7.4674 -7.4674 -7.4584 -7.4584 -6.0502 -6.0502 -6.0502 -6.0502 2.4704 2.4704 3.0462 3.0462 k =-0.2870 0.1263 0.0000 ( 3344 PWs) bands (ev): -22.5909 -22.5909 -22.5908 -22.5908 -7.7671 -7.7671 -7.7662 -7.7662 -7.4582 -7.4582 -7.4496 -7.4496 -6.0530 -6.0530 -6.0530 -6.0530 2.5651 2.5651 3.1249 3.1249 k =-0.2963 0.1304 0.0000 ( 3340 PWs) bands (ev): -22.5839 -22.5839 -22.5838 -22.5838 -7.8047 -7.8047 -7.8038 -7.8038 -7.4491 -7.4491 -7.4408 -7.4408 -6.0558 -6.0558 -6.0557 -6.0557 2.6625 2.6625 3.2063 3.2063 k =-0.3056 0.1345 0.0000 ( 3338 PWs) bands (ev): -22.5770 -22.5770 -22.5769 -22.5769 -7.8413 -7.8413 -7.8404 -7.8404 -7.4402 -7.4402 -7.4322 -7.4322 -6.0585 -6.0585 -6.0584 -6.0584 2.7625 2.7625 3.2902 3.2902 k =-0.3148 0.1386 0.0000 ( 3328 PWs) bands (ev): -22.5703 -22.5703 -22.5702 -22.5702 -7.8771 -7.8771 -7.8762 -7.8762 -7.4314 -7.4314 -7.4237 -7.4237 -6.0611 -6.0611 -6.0611 -6.0611 2.8652 2.8652 3.3767 3.3767 k =-0.3241 0.1426 0.0000 ( 3332 PWs) bands (ev): -22.5637 -22.5637 -22.5636 -22.5636 -7.9117 -7.9117 -7.9108 -7.9108 -7.4228 -7.4228 -7.4155 -7.4155 -6.0637 -6.0637 -6.0637 -6.0637 2.9706 2.9706 3.4658 3.4658 k =-0.3333 0.1467 0.0000 ( 3336 PWs) bands (ev): -22.5573 -22.5573 -22.5572 -22.5572 -7.9452 -7.9452 -7.9443 -7.9443 -7.4144 -7.4144 -7.4074 -7.4074 -6.0662 -6.0662 -6.0662 -6.0662 3.0785 3.0785 3.5575 3.5575 k =-0.3426 0.1508 0.0000 ( 3332 PWs) bands (ev): -22.5511 -22.5511 -22.5510 -22.5510 -7.9774 -7.9774 -7.9765 -7.9765 -7.4062 -7.4062 -7.3996 -7.3996 -6.0686 -6.0686 -6.0686 -6.0686 3.1891 3.1891 3.6517 3.6517 k =-0.3519 0.1549 0.0000 ( 3328 PWs) bands (ev): -22.5451 -22.5451 -22.5450 -22.5450 -8.0083 -8.0083 -8.0074 -8.0074 -7.3984 -7.3984 -7.3921 -7.3921 -6.0709 -6.0709 -6.0709 -6.0709 3.3023 3.3023 3.7485 3.7485 k =-0.3611 0.1589 0.0000 ( 3336 PWs) bands (ev): -22.5393 -22.5393 -22.5393 -22.5393 -8.0377 -8.0377 -8.0369 -8.0369 -7.3909 -7.3909 -7.3849 -7.3849 -6.0732 -6.0732 -6.0732 -6.0732 3.4181 3.4181 3.8478 3.8478 k =-0.3704 0.1630 0.0000 ( 3328 PWs) bands (ev): -22.5338 -22.5338 -22.5338 -22.5338 -8.0656 -8.0656 -8.0648 -8.0648 -7.3837 -7.3837 -7.3780 -7.3780 -6.0753 -6.0753 -6.0753 -6.0753 3.5365 3.5365 3.9496 3.9496 k =-0.3796 0.1671 0.0000 ( 3320 PWs) bands (ev): -22.5286 -22.5286 -22.5286 -22.5286 -8.0919 -8.0919 -8.0911 -8.0911 -7.3768 -7.3768 -7.3715 -7.3715 -6.0773 -6.0773 -6.0773 -6.0773 3.6574 3.6574 4.0538 4.0538 k =-0.3889 0.1712 0.0000 ( 3318 PWs) bands (ev): -22.5237 -22.5237 -22.5237 -22.5237 -8.1166 -8.1166 -8.1158 -8.1158 -7.3704 -7.3704 -7.3654 -7.3654 -6.0792 -6.0792 -6.0792 -6.0792 3.7809 3.7809 4.1605 4.1605 k =-0.3981 0.1752 0.0000 ( 3322 PWs) bands (ev): -22.5192 -22.5192 -22.5191 -22.5191 -8.1395 -8.1395 -8.1387 -8.1387 -7.3644 -7.3644 -7.3597 -7.3597 -6.0809 -6.0809 -6.0809 -6.0809 3.9069 3.9069 4.2695 4.2695 k =-0.4074 0.1793 0.0000 ( 3316 PWs) bands (ev): -22.5149 -22.5149 -22.5149 -22.5149 -8.1606 -8.1606 -8.1599 -8.1599 -7.3588 -7.3588 -7.3544 -7.3544 -6.0826 -6.0826 -6.0826 -6.0826 4.0354 4.0354 4.3808 4.3808 k =-0.4167 0.1834 0.0000 ( 3318 PWs) bands (ev): -22.5110 -22.5110 -22.5110 -22.5110 -8.1799 -8.1799 -8.1792 -8.1792 -7.3537 -7.3537 -7.3495 -7.3495 -6.0840 -6.0840 -6.0840 -6.0840 4.1663 4.1663 4.4942 4.4942 k =-0.4259 0.1875 0.0000 ( 3310 PWs) bands (ev): -22.5075 -22.5075 -22.5075 -22.5075 -8.1973 -8.1973 -8.1966 -8.1966 -7.3491 -7.3491 -7.3451 -7.3451 -6.0854 -6.0854 -6.0854 -6.0854 4.2997 4.2997 4.6097 4.6097 k =-0.4352 0.1915 0.0000 ( 3304 PWs) bands (ev): -22.5044 -22.5044 -22.5043 -22.5043 -8.2128 -8.2128 -8.2120 -8.2120 -7.3449 -7.3449 -7.3412 -7.3412 -6.0866 -6.0866 -6.0866 -6.0866 4.4356 4.4356 4.7269 4.7269 k =-0.4444 0.1956 0.0000 ( 3304 PWs) bands (ev): -22.5016 -22.5016 -22.5016 -22.5016 -8.2262 -8.2262 -8.2255 -8.2255 -7.3413 -7.3413 -7.3378 -7.3378 -6.0876 -6.0876 -6.0876 -6.0876 4.5739 4.5739 4.8455 4.8455 k =-0.4537 0.1997 0.0000 ( 3308 PWs) bands (ev): -22.4993 -22.4993 -22.4993 -22.4993 -8.2377 -8.2377 -8.2370 -8.2370 -7.3382 -7.3382 -7.3349 -7.3349 -6.0885 -6.0885 -6.0885 -6.0885 4.7145 4.7145 4.9649 4.9649 k =-0.4630 0.2038 0.0000 ( 3306 PWs) bands (ev): -22.4974 -22.4974 -22.4973 -22.4973 -8.2471 -8.2471 -8.2464 -8.2464 -7.3357 -7.3357 -7.3325 -7.3325 -6.0893 -6.0893 -6.0892 -6.0892 4.8574 4.8574 5.0842 5.0842 k =-0.4722 0.2078 0.0000 ( 3310 PWs) bands (ev): -22.4959 -22.4959 -22.4958 -22.4958 -8.2545 -8.2545 -8.2538 -8.2538 -7.3337 -7.3337 -7.3307 -7.3307 -6.0898 -6.0898 -6.0898 -6.0898 5.0025 5.0025 5.2014 5.2014 k =-0.4815 0.2119 0.0000 ( 3316 PWs) bands (ev): -22.4948 -22.4948 -22.4948 -22.4948 -8.2597 -8.2597 -8.2590 -8.2590 -7.3322 -7.3322 -7.3293 -7.3293 -6.0902 -6.0902 -6.0902 -6.0902 5.1498 5.1498 5.3118 5.3118 k =-0.4907 0.2160 0.0000 ( 3314 PWs) bands (ev): -22.4941 -22.4941 -22.4941 -22.4941 -8.2629 -8.2629 -8.2622 -8.2622 -7.3314 -7.3314 -7.3285 -7.3285 -6.0905 -6.0905 -6.0905 -6.0905 5.2991 5.2991 5.4031 5.4031 k =-0.5000 0.2201 0.0000 ( 3322 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2640 -8.2640 -8.2633 -8.2633 -7.3311 -7.3311 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4430 5.4432 5.4501 5.4503 k =-0.5000 0.2201 0.0000 ( 3322 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2640 -8.2640 -8.2633 -8.2633 -7.3311 -7.3311 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4430 5.4432 5.4501 5.4506 k =-0.4960 0.2292-0.0000 ( 3316 PWs) bands (ev): -22.4936 -22.4936 -22.4935 -22.4935 -8.2634 -8.2634 -8.2627 -8.2627 -7.3308 -7.3308 -7.3280 -7.3280 -6.0924 -6.0924 -6.0924 -6.0924 5.4446 5.4449 5.4517 5.4518 k =-0.4919 0.2384-0.0000 ( 3318 PWs) bands (ev): -22.4925 -22.4925 -22.4925 -22.4925 -8.2619 -8.2619 -8.2612 -8.2612 -7.3299 -7.3299 -7.3271 -7.3271 -6.0981 -6.0981 -6.0980 -6.0980 5.4489 5.4489 5.4556 5.4556 k =-0.4879 0.2475-0.0000 ( 3310 PWs) bands (ev): -22.4907 -22.4907 -22.4907 -22.4907 -8.2593 -8.2593 -8.2586 -8.2586 -7.3284 -7.3284 -7.3256 -7.3256 -6.1074 -6.1074 -6.1074 -6.1074 5.4562 5.4564 5.4618 5.4620 k =-0.4839 0.2567-0.0000 ( 3314 PWs) bands (ev): -22.4882 -22.4882 -22.4882 -22.4882 -8.2557 -8.2557 -8.2550 -8.2550 -7.3263 -7.3263 -7.3235 -7.3235 -6.1204 -6.1204 -6.1204 -6.1204 5.4664 5.4666 5.4705 5.4708 k =-0.4798 0.2659-0.0000 ( 3310 PWs) bands (ev): -22.4850 -22.4850 -22.4850 -22.4850 -8.2510 -8.2510 -8.2503 -8.2503 -7.3236 -7.3236 -7.3208 -7.3208 -6.1371 -6.1371 -6.1370 -6.1370 5.4795 5.4797 5.4817 5.4819 k =-0.4758 0.2750-0.0000 ( 3310 PWs) bands (ev): -22.4811 -22.4811 -22.4811 -22.4811 -8.2453 -8.2453 -8.2446 -8.2446 -7.3203 -7.3203 -7.3175 -7.3175 -6.1573 -6.1573 -6.1573 -6.1573 5.4950 5.4950 5.4960 5.4960 k =-0.4718 0.2842-0.0000 ( 3316 PWs) bands (ev): -22.4765 -22.4765 -22.4765 -22.4765 -8.2386 -8.2386 -8.2379 -8.2379 -7.3164 -7.3164 -7.3136 -7.3136 -6.1810 -6.1810 -6.1810 -6.1810 5.5113 5.5113 5.5148 5.5148 k =-0.4677 0.2933-0.0000 ( 3326 PWs) bands (ev): -22.4712 -22.4712 -22.4712 -22.4712 -8.2309 -8.2309 -8.2302 -8.2302 -7.3120 -7.3120 -7.3092 -7.3092 -6.2082 -6.2082 -6.2082 -6.2082 5.5299 5.5299 5.5366 5.5366 k =-0.4637 0.3025-0.0000 ( 3322 PWs) bands (ev): -22.4653 -22.4653 -22.4653 -22.4653 -8.2222 -8.2222 -8.2216 -8.2216 -7.3070 -7.3070 -7.3042 -7.3042 -6.2386 -6.2386 -6.2386 -6.2386 5.5509 5.5510 5.5615 5.5618 k =-0.4597 0.3117-0.0000 ( 3326 PWs) bands (ev): -22.4587 -22.4587 -22.4587 -22.4587 -8.2126 -8.2126 -8.2119 -8.2119 -7.3014 -7.3014 -7.2987 -7.2987 -6.2723 -6.2723 -6.2723 -6.2723 5.5743 5.5743 5.5892 5.5892 k =-0.4557 0.3208-0.0000 ( 3320 PWs) bands (ev): -22.4515 -22.4515 -22.4514 -22.4514 -8.2019 -8.2019 -8.2013 -8.2013 -7.2953 -7.2953 -7.2927 -7.2927 -6.3090 -6.3090 -6.3090 -6.3090 5.6002 5.6002 5.6199 5.6200 k =-0.4516 0.3300-0.0000 ( 3320 PWs) bands (ev): -22.4436 -22.4436 -22.4436 -22.4436 -8.1903 -8.1903 -8.1897 -8.1897 -7.2887 -7.2887 -7.2861 -7.2861 -6.3488 -6.3488 -6.3487 -6.3487 5.6284 5.6284 5.6535 5.6535 k =-0.4476 0.3391-0.0000 ( 3312 PWs) bands (ev): -22.4351 -22.4351 -22.4351 -22.4351 -8.1778 -8.1778 -8.1771 -8.1771 -7.2816 -7.2816 -7.2790 -7.2790 -6.3913 -6.3913 -6.3913 -6.3913 5.6590 5.6590 5.6901 5.6901 k =-0.4436 0.3483-0.0000 ( 3308 PWs) bands (ev): -22.4261 -22.4261 -22.4260 -22.4260 -8.1643 -8.1643 -8.1637 -8.1637 -7.2740 -7.2740 -7.2715 -7.2715 -6.4365 -6.4365 -6.4365 -6.4365 5.6919 5.6919 5.7295 5.7296 k =-0.4395 0.3575-0.0000 ( 3304 PWs) bands (ev): -22.4164 -22.4164 -22.4164 -22.4164 -8.1500 -8.1500 -8.1493 -8.1493 -7.2660 -7.2660 -7.2634 -7.2634 -6.4842 -6.4842 -6.4842 -6.4842 5.7272 5.7272 5.7719 5.7719 k =-0.4355 0.3666-0.0000 ( 3308 PWs) bands (ev): -22.4062 -22.4062 -22.4062 -22.4062 -8.1347 -8.1347 -8.1341 -8.1341 -7.2575 -7.2575 -7.2550 -7.2550 -6.5344 -6.5344 -6.5343 -6.5343 5.7648 5.7649 5.8172 5.8184 k =-0.4315 0.3758-0.0000 ( 3312 PWs) bands (ev): -22.3955 -22.3955 -22.3955 -22.3955 -8.1186 -8.1186 -8.1180 -8.1180 -7.2486 -7.2486 -7.2461 -7.2461 -6.5867 -6.5867 -6.5866 -6.5866 5.8048 5.8048 5.8654 5.8655 k =-0.4274 0.3849-0.0000 ( 3316 PWs) bands (ev): -22.3843 -22.3843 -22.3843 -22.3843 -8.1017 -8.1017 -8.1011 -8.1011 -7.2392 -7.2392 -7.2369 -7.2369 -6.6411 -6.6411 -6.6410 -6.6410 5.8469 5.8469 5.9154 5.9155 k =-0.4234 0.3941-0.0000 ( 3316 PWs) bands (ev): -22.3726 -22.3726 -22.3726 -22.3726 -8.0840 -8.0840 -8.0834 -8.0834 -7.2296 -7.2296 -7.2272 -7.2272 -6.6973 -6.6973 -6.6973 -6.6973 5.8914 5.8914 5.9672 5.9675 k =-0.4194 0.4033-0.0000 ( 3318 PWs) bands (ev): -22.3605 -22.3605 -22.3605 -22.3605 -8.0654 -8.0654 -8.0648 -8.0648 -7.2195 -7.2195 -7.2172 -7.2172 -6.7552 -6.7552 -6.7552 -6.7552 5.9380 5.9380 6.0217 6.0217 k =-0.4153 0.4124-0.0000 ( 3322 PWs) bands (ev): -22.3480 -22.3480 -22.3480 -22.3480 -8.0461 -8.0461 -8.0456 -8.0456 -7.2092 -7.2092 -7.2070 -7.2070 -6.8147 -6.8147 -6.8147 -6.8147 5.9869 5.9869 6.0786 6.0786 k =-0.4113 0.4216-0.0000 ( 3322 PWs) bands (ev): -22.3351 -22.3351 -22.3350 -22.3350 -8.0261 -8.0261 -8.0255 -8.0255 -7.1986 -7.1986 -7.1964 -7.1964 -6.8755 -6.8755 -6.8754 -6.8754 6.0379 6.0379 6.1380 6.1383 k =-0.4073 0.4307-0.0000 ( 3322 PWs) bands (ev): -22.3218 -22.3218 -22.3217 -22.3217 -8.0054 -8.0054 -8.0048 -8.0048 -7.1878 -7.1878 -7.1856 -7.1856 -6.9374 -6.9374 -6.9374 -6.9374 6.0911 6.0911 6.1997 6.1998 k =-0.4032 0.4399-0.0000 ( 3320 PWs) bands (ev): -22.3082 -22.3082 -22.3081 -22.3081 -7.9840 -7.9840 -7.9834 -7.9834 -7.1768 -7.1768 -7.1747 -7.1747 -7.0002 -7.0002 -7.0002 -7.0002 6.1464 6.1464 6.2639 6.2639 k =-0.3992 0.4491-0.0000 ( 3320 PWs) bands (ev): -22.2943 -22.2943 -22.2942 -22.2942 -7.9619 -7.9619 -7.9614 -7.9614 -7.1661 -7.1661 -7.1641 -7.1641 -7.0634 -7.0634 -7.0634 -7.0634 6.2038 6.2038 6.3304 6.3304 k =-0.3952 0.4582-0.0000 ( 3308 PWs) bands (ev): -22.2801 -22.2801 -22.2801 -22.2801 -7.9393 -7.9393 -7.9387 -7.9387 -7.1584 -7.1584 -7.1567 -7.1567 -7.1241 -7.1241 -7.1238 -7.1238 6.2633 6.2633 6.3991 6.3991 k =-0.3911 0.4674-0.0000 ( 3304 PWs) bands (ev): -22.2658 -22.2658 -22.2657 -22.2657 -7.9160 -7.9160 -7.9155 -7.9155 -7.1974 -7.1974 -7.1974 -7.1974 -7.1384 -7.1384 -7.1365 -7.1365 6.3248 6.3248 6.4700 6.4701 k =-0.3871 0.4765-0.0000 ( 3298 PWs) bands (ev): -22.2512 -22.2512 -22.2512 -22.2512 -7.8923 -7.8923 -7.8918 -7.8918 -7.2612 -7.2612 -7.2612 -7.2612 -7.1281 -7.1281 -7.1263 -7.1263 6.3883 6.3883 6.5430 6.5431 k =-0.3831 0.4857-0.0000 ( 3304 PWs) bands (ev): -22.2366 -22.2366 -22.2365 -22.2365 -7.8680 -7.8680 -7.8675 -7.8675 -7.3263 -7.3263 -7.3263 -7.3263 -7.1166 -7.1166 -7.1148 -7.1148 6.4538 6.4538 6.6182 6.6182 k =-0.3791 0.4949-0.0000 ( 3304 PWs) bands (ev): -22.2218 -22.2218 -22.2218 -22.2218 -7.8433 -7.8433 -7.8428 -7.8428 -7.3916 -7.3916 -7.3916 -7.3916 -7.1048 -7.1048 -7.1031 -7.1031 6.5212 6.5212 6.6953 6.6953 k =-0.3750 0.5040-0.0000 ( 3306 PWs) bands (ev): -22.2070 -22.2070 -22.2069 -22.2069 -7.8182 -7.8182 -7.8177 -7.8177 -7.4568 -7.4568 -7.4567 -7.4567 -7.0929 -7.0929 -7.0913 -7.0913 6.5906 6.5906 6.7743 6.7743 k =-0.3710 0.5132-0.0000 ( 3312 PWs) bands (ev): -22.1921 -22.1921 -22.1921 -22.1921 -7.7927 -7.7927 -7.7923 -7.7923 -7.5216 -7.5216 -7.5216 -7.5216 -7.0810 -7.0810 -7.0794 -7.0794 6.6619 6.6619 6.8552 6.8552 k =-0.3670 0.5223-0.0000 ( 3304 PWs) bands (ev): -22.1773 -22.1773 -22.1773 -22.1773 -7.7670 -7.7670 -7.7666 -7.7666 -7.5858 -7.5858 -7.5858 -7.5858 -7.0692 -7.0692 -7.0676 -7.0676 6.7350 6.7350 6.9378 6.9378 k =-0.3629 0.5315-0.0000 ( 3304 PWs) bands (ev): -22.1625 -22.1625 -22.1625 -22.1625 -7.7416 -7.7416 -7.7412 -7.7412 -7.6488 -7.6488 -7.6488 -7.6488 -7.0574 -7.0574 -7.0559 -7.0559 6.8099 6.8099 7.0221 7.0221 k =-0.3589 0.5407-0.0000 ( 3306 PWs) bands (ev): -22.1479 -22.1479 -22.1479 -22.1479 -7.7255 -7.7255 -7.7253 -7.7253 -7.7014 -7.7014 -7.7012 -7.7012 -7.0457 -7.0457 -7.0443 -7.0443 6.8867 6.8867 7.1079 7.1079 k =-0.3549 0.5498-0.0000 ( 3298 PWs) bands (ev): -22.1334 -22.1334 -22.1334 -22.1334 -7.7772 -7.7772 -7.7771 -7.7771 -7.6851 -7.6851 -7.6847 -7.6847 -7.0342 -7.0342 -7.0329 -7.0329 6.9653 6.9653 7.1952 7.1952 k =-0.3508 0.5590-0.0000 ( 3299 PWs) bands (ev): -22.1192 -22.1192 -22.1191 -22.1191 -7.8374 -7.8374 -7.8373 -7.8373 -7.6589 -7.6589 -7.6585 -7.6585 -7.0229 -7.0229 -7.0217 -7.0217 7.0456 7.0456 7.2838 7.2838 k =-0.3468 0.5681-0.0000 ( 3295 PWs) bands (ev): -22.1051 -22.1051 -22.1051 -22.1051 -7.8969 -7.8969 -7.8968 -7.8968 -7.6321 -7.6321 -7.6317 -7.6317 -7.0119 -7.0119 -7.0107 -7.0107 7.1276 7.1276 7.3737 7.3737 k =-0.3428 0.5773-0.0000 ( 3289 PWs) bands (ev): -22.0914 -22.0914 -22.0914 -22.0914 -7.9551 -7.9551 -7.9551 -7.9551 -7.6050 -7.6050 -7.6047 -7.6047 -7.0011 -7.0011 -7.0000 -7.0000 7.2113 7.2113 7.4648 7.4648 k =-0.3387 0.5865-0.0000 ( 3281 PWs) bands (ev): -22.0780 -22.0780 -22.0780 -22.0780 -8.0119 -8.0119 -8.0119 -8.0119 -7.5778 -7.5778 -7.5775 -7.5775 -6.9906 -6.9906 -6.9896 -6.9896 7.2968 7.2968 7.5570 7.5570 k =-0.3347 0.5956-0.0000 ( 3281 PWs) bands (ev): -22.0650 -22.0650 -22.0650 -22.0650 -8.0671 -8.0671 -8.0671 -8.0671 -7.5506 -7.5506 -7.5503 -7.5503 -6.9805 -6.9805 -6.9796 -6.9796 7.3839 7.3839 7.6501 7.6501 k =-0.3307 0.6048-0.0000 ( 3281 PWs) bands (ev): -22.0524 -22.0524 -22.0524 -22.0524 -8.1206 -8.1206 -8.1205 -8.1205 -7.5233 -7.5233 -7.5230 -7.5230 -6.9708 -6.9708 -6.9699 -6.9699 7.4727 7.4727 7.7441 7.7441 k =-0.3266 0.6140-0.0000 ( 3281 PWs) bands (ev): -22.0403 -22.0403 -22.0403 -22.0403 -8.1722 -8.1722 -8.1721 -8.1721 -7.4962 -7.4962 -7.4959 -7.4959 -6.9614 -6.9614 -6.9607 -6.9607 7.5631 7.5631 7.8390 7.8390 k =-0.3226 0.6231-0.0000 ( 3281 PWs) bands (ev): -22.0287 -22.0287 -22.0287 -22.0287 -8.2218 -8.2218 -8.2217 -8.2217 -7.4691 -7.4691 -7.4688 -7.4688 -6.9526 -6.9526 -6.9519 -6.9519 7.6551 7.6551 7.9346 7.9346 k =-0.3186 0.6323-0.0000 ( 3283 PWs) bands (ev): -22.0177 -22.0177 -22.0177 -22.0177 -8.2693 -8.2693 -8.2692 -8.2692 -7.4422 -7.4422 -7.4419 -7.4419 -6.9442 -6.9442 -6.9436 -6.9436 7.7488 7.7488 8.0310 8.0310 k =-0.3145 0.6414-0.0000 ( 3287 PWs) bands (ev): -22.0072 -22.0072 -22.0072 -22.0072 -8.3146 -8.3146 -8.3145 -8.3145 -7.4154 -7.4154 -7.4152 -7.4152 -6.9363 -6.9363 -6.9359 -6.9359 7.8441 7.8441 8.1281 8.1281 k =-0.3105 0.6506-0.0000 ( 3287 PWs) bands (ev): -21.9974 -21.9974 -21.9974 -21.9974 -8.3576 -8.3576 -8.3575 -8.3575 -7.3889 -7.3889 -7.3887 -7.3887 -6.9290 -6.9290 -6.9286 -6.9286 7.9411 7.9411 8.2260 8.2260 k =-0.3065 0.6598-0.0000 ( 3295 PWs) bands (ev): -21.9882 -21.9882 -21.9882 -21.9882 -8.3983 -8.3983 -8.3981 -8.3981 -7.3627 -7.3627 -7.3624 -7.3624 -6.9223 -6.9223 -6.9220 -6.9220 8.0397 8.0397 8.3246 8.3246 k =-0.3025 0.6689-0.0000 ( 3307 PWs) bands (ev): -21.9798 -21.9798 -21.9798 -21.9798 -8.4364 -8.4364 -8.4363 -8.4363 -7.3368 -7.3368 -7.3365 -7.3365 -6.9162 -6.9162 -6.9160 -6.9160 8.1399 8.1399 8.4239 8.4239 k =-0.2984 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2418 8.2418 8.5241 8.5242 k =-0.2984 0.6781-0.0000 ( 3307 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2418 8.2418 8.5241 8.5241 k =-0.2984 0.6781 0.0094 ( 3304 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2424 8.2424 8.5221 8.5221 k =-0.2984 0.6781 0.0188 ( 3296 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2443 8.2443 8.5161 8.5162 k =-0.2984 0.6781 0.0283 ( 3297 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9107 -6.9107 -6.9106 -6.9106 8.2474 8.2474 8.5070 8.5070 k =-0.2984 0.6781 0.0377 ( 3295 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2518 8.2518 8.4954 8.4954 k =-0.2984 0.6781 0.0471 ( 3289 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4720 -8.4720 -8.4718 -8.4718 -7.3112 -7.3112 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2573 8.2573 8.4820 8.4820 k =-0.2984 0.6781 0.0565 ( 3287 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4718 -8.4718 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2639 8.2639 8.4676 8.4677 k =-0.2984 0.6781 0.0660 ( 3290 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4718 -8.4718 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2716 8.2716 8.4526 8.4527 k =-0.2984 0.6781 0.0754 ( 3294 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4718 -8.4718 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2803 8.2803 8.4374 8.4374 k =-0.2984 0.6781 0.0848 ( 3293 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.2899 8.2899 8.4221 8.4221 k =-0.2984 0.6781 0.0942 ( 3297 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.3004 8.3004 8.4069 8.4069 k =-0.2984 0.6781 0.1036 ( 3296 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.3117 8.3117 8.3920 8.3920 k =-0.2984 0.6781 0.1131 ( 3288 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3110 -7.3110 -6.9106 -6.9106 -6.9106 -6.9106 8.3237 8.3237 8.3774 8.3774 k =-0.2984 0.6781 0.1225 ( 3294 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3111 -7.3111 -6.9106 -6.9106 -6.9106 -6.9106 8.3363 8.3363 8.3632 8.3632 k =-0.2984 0.6781 0.1319 ( 3292 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3111 -7.3111 -6.9106 -6.9106 -6.9106 -6.9106 8.3493 8.3493 8.3497 8.3497 k =-0.2984 0.6781 0.1319 ( 3292 PWs) bands (ev): -21.9721 -21.9721 -21.9721 -21.9721 -8.4719 -8.4719 -8.4719 -8.4719 -7.3111 -7.3111 -7.3111 -7.3111 -6.9106 -6.9106 -6.9106 -6.9106 8.3493 8.3493 8.3497 8.3497 k =-0.3025 0.6689 0.1319 ( 3296 PWs) bands (ev): -21.9798 -21.9798 -21.9798 -21.9798 -8.4363 -8.4363 -8.4363 -8.4363 -7.3366 -7.3366 -7.3366 -7.3366 -6.9161 -6.9161 -6.9161 -6.9161 8.2529 8.2529 8.2531 8.2531 k =-0.3065 0.6598 0.1319 ( 3296 PWs) bands (ev): -21.9882 -21.9882 -21.9882 -21.9882 -8.3982 -8.3982 -8.3982 -8.3982 -7.3626 -7.3626 -7.3626 -7.3626 -6.9221 -6.9221 -6.9221 -6.9221 8.1561 8.1561 8.1563 8.1563 k =-0.3105 0.6506 0.1319 ( 3296 PWs) bands (ev): -21.9974 -21.9974 -21.9974 -21.9974 -8.3576 -8.3576 -8.3576 -8.3576 -7.3888 -7.3888 -7.3888 -7.3888 -6.9288 -6.9288 -6.9288 -6.9288 8.0600 8.0600 8.0602 8.0602 k =-0.3145 0.6414 0.1319 ( 3300 PWs) bands (ev): -22.0072 -22.0072 -22.0072 -22.0072 -8.3146 -8.3146 -8.3146 -8.3146 -7.4153 -7.4153 -7.4153 -7.4153 -6.9361 -6.9361 -6.9361 -6.9361 7.9650 7.9650 7.9651 7.9651 k =-0.3186 0.6323 0.1319 ( 3300 PWs) bands (ev): -22.0177 -22.0177 -22.0177 -22.0177 -8.2693 -8.2693 -8.2693 -8.2693 -7.4420 -7.4420 -7.4420 -7.4420 -6.9439 -6.9439 -6.9439 -6.9439 7.8711 7.8711 7.8712 7.8712 k =-0.3226 0.6231 0.1319 ( 3296 PWs) bands (ev): -22.0287 -22.0287 -22.0287 -22.0287 -8.2218 -8.2218 -8.2218 -8.2218 -7.4689 -7.4689 -7.4689 -7.4689 -6.9522 -6.9522 -6.9522 -6.9522 7.7785 7.7785 7.7786 7.7786 k =-0.3266 0.6140 0.1319 ( 3296 PWs) bands (ev): -22.0403 -22.0403 -22.0403 -22.0403 -8.1722 -8.1722 -8.1722 -8.1722 -7.4960 -7.4960 -7.4960 -7.4960 -6.9611 -6.9611 -6.9611 -6.9611 7.6871 7.6871 7.6873 7.6873 k =-0.3307 0.6048 0.1319 ( 3292 PWs) bands (ev): -22.0524 -22.0524 -22.0524 -22.0524 -8.1206 -8.1206 -8.1206 -8.1206 -7.5232 -7.5232 -7.5232 -7.5232 -6.9703 -6.9703 -6.9703 -6.9703 7.5970 7.5970 7.5972 7.5972 k =-0.3347 0.5956 0.1319 ( 3296 PWs) bands (ev): -22.0650 -22.0650 -22.0650 -22.0650 -8.0671 -8.0671 -8.0671 -8.0671 -7.5504 -7.5504 -7.5504 -7.5504 -6.9800 -6.9800 -6.9800 -6.9800 7.5082 7.5082 7.5085 7.5085 k =-0.3387 0.5865 0.1319 ( 3298 PWs) bands (ev): -22.0780 -22.0780 -22.0780 -22.0780 -8.0119 -8.0119 -8.0119 -8.0119 -7.5776 -7.5776 -7.5776 -7.5776 -6.9901 -6.9901 -6.9901 -6.9901 7.4207 7.4207 7.4210 7.4210 k =-0.3428 0.5773 0.1319 ( 3294 PWs) bands (ev): -22.0914 -22.0914 -22.0914 -22.0914 -7.9551 -7.9551 -7.9551 -7.9551 -7.6048 -7.6048 -7.6048 -7.6048 -7.0005 -7.0005 -7.0005 -7.0005 7.3345 7.3345 7.3348 7.3348 k =-0.3468 0.5681 0.1319 ( 3286 PWs) bands (ev): -22.1051 -22.1051 -22.1051 -22.1051 -7.8968 -7.8968 -7.8968 -7.8968 -7.6319 -7.6319 -7.6319 -7.6319 -7.0113 -7.0113 -7.0113 -7.0113 7.2496 7.2496 7.2499 7.2499 k =-0.3508 0.5590 0.1319 ( 3284 PWs) bands (ev): -22.1192 -22.1192 -22.1192 -22.1192 -7.8374 -7.8374 -7.8374 -7.8374 -7.6587 -7.6587 -7.6587 -7.6587 -7.0223 -7.0223 -7.0223 -7.0223 7.1659 7.1659 7.1663 7.1663 k =-0.3549 0.5498 0.1319 ( 3288 PWs) bands (ev): -22.1334 -22.1334 -22.1334 -22.1334 -7.7771 -7.7771 -7.7771 -7.7771 -7.6849 -7.6849 -7.6849 -7.6849 -7.0336 -7.0336 -7.0336 -7.0336 7.0835 7.0835 7.0839 7.0839 k =-0.3589 0.5407 0.1319 ( 3294 PWs) bands (ev): -22.1479 -22.1479 -22.1479 -22.1479 -7.7254 -7.7254 -7.7254 -7.7254 -7.7013 -7.7013 -7.7013 -7.7013 -7.0450 -7.0450 -7.0450 -7.0450 7.0023 7.0023 7.0028 7.0028 k =-0.3629 0.5315 0.1319 ( 3286 PWs) bands (ev): -22.1625 -22.1625 -22.1625 -22.1625 -7.7414 -7.7414 -7.7414 -7.7414 -7.6488 -7.6488 -7.6488 -7.6488 -7.0566 -7.0566 -7.0566 -7.0566 6.9224 6.9224 6.9230 6.9230 k =-0.3670 0.5223 0.1319 ( 3296 PWs) bands (ev): -22.1773 -22.1773 -22.1773 -22.1773 -7.7668 -7.7668 -7.7668 -7.7668 -7.5858 -7.5858 -7.5858 -7.5858 -7.0684 -7.0684 -7.0684 -7.0684 6.8438 6.8438 6.8443 6.8443 k =-0.3710 0.5132 0.1319 ( 3296 PWs) bands (ev): -22.1921 -22.1921 -22.1921 -22.1921 -7.7925 -7.7925 -7.7925 -7.7925 -7.5216 -7.5216 -7.5216 -7.5216 -7.0802 -7.0802 -7.0802 -7.0802 6.7663 6.7664 6.7670 6.7670 k =-0.3750 0.5040 0.1319 ( 3292 PWs) bands (ev): -22.2069 -22.2069 -22.2069 -22.2069 -7.8179 -7.8179 -7.8179 -7.8179 -7.4567 -7.4567 -7.4567 -7.4567 -7.0921 -7.0921 -7.0921 -7.0921 6.6902 6.6902 6.6909 6.6909 k =-0.3791 0.4949 0.1319 ( 3294 PWs) bands (ev): -22.2218 -22.2218 -22.2218 -22.2218 -7.8431 -7.8431 -7.8431 -7.8431 -7.3916 -7.3916 -7.3916 -7.3916 -7.1039 -7.1039 -7.1039 -7.1039 6.6154 6.6154 6.6161 6.6161 k =-0.3831 0.4857 0.1319 ( 3298 PWs) bands (ev): -22.2365 -22.2365 -22.2365 -22.2365 -7.8678 -7.8678 -7.8678 -7.8678 -7.3263 -7.3263 -7.3263 -7.3263 -7.1157 -7.1157 -7.1157 -7.1157 6.5419 6.5420 6.5427 6.5427 k =-0.3871 0.4765 0.1319 ( 3302 PWs) bands (ev): -22.2512 -22.2512 -22.2512 -22.2512 -7.8920 -7.8920 -7.8920 -7.8920 -7.2612 -7.2612 -7.2612 -7.2612 -7.1272 -7.1272 -7.1272 -7.1272 6.4699 6.4699 6.4707 6.4707 k =-0.3911 0.4674 0.1319 ( 3310 PWs) bands (ev): -22.2658 -22.2658 -22.2658 -22.2658 -7.9158 -7.9158 -7.9158 -7.9158 -7.1974 -7.1974 -7.1974 -7.1974 -7.1375 -7.1375 -7.1375 -7.1375 6.3994 6.3995 6.4002 6.4002 k =-0.3952 0.4582 0.1319 ( 3306 PWs) bands (ev): -22.2801 -22.2801 -22.2801 -22.2801 -7.9390 -7.9390 -7.9390 -7.9390 -7.1575 -7.1575 -7.1575 -7.1575 -7.1240 -7.1240 -7.1240 -7.1240 6.3306 6.3306 6.3313 6.3314 k =-0.3992 0.4491 0.1319 ( 3304 PWs) bands (ev): -22.2943 -22.2943 -22.2943 -22.2943 -7.9616 -7.9616 -7.9616 -7.9616 -7.1651 -7.1651 -7.1651 -7.1651 -7.0634 -7.0634 -7.0634 -7.0634 6.2635 6.2635 6.2642 6.2642 k =-0.4032 0.4399 0.1319 ( 3306 PWs) bands (ev): -22.3082 -22.3082 -22.3082 -22.3082 -7.9837 -7.9837 -7.9837 -7.9837 -7.1758 -7.1758 -7.1758 -7.1758 -7.0002 -7.0002 -7.0002 -7.0002 6.1982 6.1982 6.1990 6.1990 k =-0.4073 0.4307 0.1319 ( 3306 PWs) bands (ev): -22.3218 -22.3218 -22.3218 -22.3218 -8.0051 -8.0051 -8.0051 -8.0051 -7.1867 -7.1867 -7.1867 -7.1867 -6.9374 -6.9374 -6.9374 -6.9374 6.1350 6.1350 6.1357 6.1357 k =-0.4113 0.4216 0.1319 ( 3302 PWs) bands (ev): -22.3350 -22.3350 -22.3350 -22.3350 -8.0258 -8.0258 -8.0258 -8.0258 -7.1975 -7.1975 -7.1975 -7.1975 -6.8754 -6.8754 -6.8754 -6.8754 6.0738 6.0738 6.0745 6.0745 k =-0.4153 0.4124 0.1319 ( 3310 PWs) bands (ev): -22.3480 -22.3480 -22.3480 -22.3480 -8.0458 -8.0458 -8.0458 -8.0458 -7.2081 -7.2081 -7.2081 -7.2081 -6.8147 -6.8147 -6.8147 -6.8147 6.0148 6.0148 6.0155 6.0155 k =-0.4194 0.4033 0.1319 ( 3316 PWs) bands (ev): -22.3605 -22.3605 -22.3605 -22.3605 -8.0651 -8.0651 -8.0651 -8.0651 -7.2184 -7.2184 -7.2184 -7.2184 -6.7552 -6.7552 -6.7552 -6.7552 5.9581 5.9581 5.9588 5.9588 k =-0.4234 0.3941 0.1319 ( 3316 PWs) bands (ev): -22.3726 -22.3726 -22.3726 -22.3726 -8.0837 -8.0837 -8.0837 -8.0837 -7.2284 -7.2284 -7.2284 -7.2284 -6.6973 -6.6973 -6.6973 -6.6973 5.9038 5.9039 5.9045 5.9045 k =-0.4274 0.3849 0.1319 ( 3312 PWs) bands (ev): -22.3843 -22.3843 -22.3843 -22.3843 -8.1014 -8.1014 -8.1014 -8.1014 -7.2381 -7.2381 -7.2381 -7.2381 -6.6410 -6.6410 -6.6410 -6.6410 5.8520 5.8520 5.8526 5.8526 k =-0.4315 0.3758 0.1319 ( 3316 PWs) bands (ev): -22.3955 -22.3955 -22.3955 -22.3955 -8.1183 -8.1183 -8.1183 -8.1183 -7.2474 -7.2474 -7.2474 -7.2474 -6.5867 -6.5867 -6.5867 -6.5867 5.8027 5.8027 5.8033 5.8033 k =-0.4355 0.3666 0.1319 ( 3316 PWs) bands (ev): -22.4062 -22.4062 -22.4062 -22.4062 -8.1344 -8.1344 -8.1344 -8.1344 -7.2562 -7.2562 -7.2562 -7.2562 -6.5343 -6.5343 -6.5343 -6.5343 5.7560 5.7560 5.7565 5.7565 k =-0.4395 0.3575 0.1319 ( 3320 PWs) bands (ev): -22.4164 -22.4164 -22.4164 -22.4164 -8.1497 -8.1497 -8.1497 -8.1497 -7.2647 -7.2647 -7.2647 -7.2647 -6.4842 -6.4842 -6.4842 -6.4842 5.7119 5.7119 5.7124 5.7124 k =-0.4436 0.3483 0.1319 ( 3320 PWs) bands (ev): -22.4260 -22.4260 -22.4260 -22.4260 -8.1640 -8.1640 -8.1640 -8.1640 -7.2728 -7.2728 -7.2728 -7.2728 -6.4365 -6.4365 -6.4365 -6.4365 5.6705 5.6705 5.6709 5.6709 k =-0.4476 0.3391 0.1319 ( 3324 PWs) bands (ev): -22.4351 -22.4351 -22.4351 -22.4351 -8.1775 -8.1775 -8.1775 -8.1775 -7.2803 -7.2803 -7.2803 -7.2803 -6.3913 -6.3913 -6.3913 -6.3913 5.6318 5.6318 5.6322 5.6322 k =-0.4516 0.3300 0.1319 ( 3316 PWs) bands (ev): -22.4436 -22.4436 -22.4436 -22.4436 -8.1900 -8.1900 -8.1900 -8.1900 -7.2874 -7.2874 -7.2874 -7.2874 -6.3487 -6.3487 -6.3487 -6.3487 5.5958 5.5959 5.5962 5.5962 k =-0.4557 0.3208 0.1319 ( 3316 PWs) bands (ev): -22.4514 -22.4514 -22.4514 -22.4514 -8.2016 -8.2016 -8.2016 -8.2016 -7.2940 -7.2940 -7.2940 -7.2940 -6.3090 -6.3090 -6.3090 -6.3090 5.5627 5.5627 5.5630 5.5630 k =-0.4597 0.3117 0.1319 ( 3316 PWs) bands (ev): -22.4587 -22.4587 -22.4587 -22.4587 -8.2122 -8.2122 -8.2122 -8.2122 -7.3001 -7.3001 -7.3001 -7.3001 -6.2723 -6.2723 -6.2723 -6.2723 5.5323 5.5323 5.5326 5.5326 k =-0.4637 0.3025 0.1319 ( 3320 PWs) bands (ev): -22.4653 -22.4653 -22.4653 -22.4653 -8.2219 -8.2219 -8.2219 -8.2219 -7.3056 -7.3056 -7.3056 -7.3056 -6.2386 -6.2386 -6.2386 -6.2386 5.5048 5.5048 5.5051 5.5051 k =-0.4677 0.2933 0.1319 ( 3312 PWs) bands (ev): -22.4712 -22.4712 -22.4712 -22.4712 -8.2306 -8.2306 -8.2306 -8.2306 -7.3106 -7.3106 -7.3106 -7.3106 -6.2082 -6.2082 -6.2082 -6.2082 5.4801 5.4801 5.4804 5.4804 k =-0.4718 0.2842 0.1319 ( 3300 PWs) bands (ev): -22.4765 -22.4765 -22.4765 -22.4765 -8.2383 -8.2383 -8.2383 -8.2383 -7.3150 -7.3150 -7.3150 -7.3150 -6.1810 -6.1810 -6.1810 -6.1810 5.4583 5.4583 5.4585 5.4585 k =-0.4758 0.2750 0.1319 ( 3306 PWs) bands (ev): -22.4811 -22.4811 -22.4811 -22.4811 -8.2450 -8.2450 -8.2450 -8.2450 -7.3189 -7.3189 -7.3189 -7.3189 -6.1573 -6.1573 -6.1573 -6.1573 5.4394 5.4394 5.4396 5.4396 k =-0.4798 0.2659 0.1319 ( 3304 PWs) bands (ev): -22.4850 -22.4850 -22.4850 -22.4850 -8.2506 -8.2506 -8.2506 -8.2506 -7.3222 -7.3222 -7.3222 -7.3222 -6.1371 -6.1371 -6.1371 -6.1371 5.4233 5.4233 5.4235 5.4235 k =-0.4839 0.2567 0.1319 ( 3300 PWs) bands (ev): -22.4882 -22.4882 -22.4882 -22.4882 -8.2553 -8.2553 -8.2553 -8.2553 -7.3249 -7.3249 -7.3249 -7.3249 -6.1204 -6.1204 -6.1204 -6.1204 5.4102 5.4102 5.4103 5.4103 k =-0.4879 0.2475 0.1319 ( 3300 PWs) bands (ev): -22.4907 -22.4907 -22.4907 -22.4907 -8.2589 -8.2589 -8.2589 -8.2589 -7.3270 -7.3270 -7.3270 -7.3270 -6.1074 -6.1074 -6.1074 -6.1074 5.4000 5.4000 5.4001 5.4001 k =-0.4919 0.2384 0.1319 ( 3298 PWs) bands (ev): -22.4925 -22.4925 -22.4925 -22.4925 -8.2615 -8.2615 -8.2615 -8.2615 -7.3285 -7.3285 -7.3285 -7.3285 -6.0980 -6.0980 -6.0980 -6.0980 5.3927 5.3927 5.3928 5.3928 k =-0.4960 0.2292 0.1319 ( 3304 PWs) bands (ev): -22.4936 -22.4936 -22.4936 -22.4936 -8.2631 -8.2631 -8.2631 -8.2631 -7.3294 -7.3294 -7.3294 -7.3294 -6.0924 -6.0924 -6.0924 -6.0924 5.3883 5.3883 5.3884 5.3884 k =-0.5000 0.2201 0.1319 ( 3304 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2636 -8.2636 -8.2636 -8.2636 -7.3297 -7.3297 -7.3297 -7.3297 -6.0905 -6.0905 -6.0905 -6.0905 5.3868 5.3868 5.3869 5.3869 k =-0.5000 0.2201 0.1319 ( 3304 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2636 -8.2636 -8.2636 -8.2636 -7.3297 -7.3297 -7.3297 -7.3297 -6.0905 -6.0905 -6.0905 -6.0905 5.3868 5.3868 5.3869 5.3869 k =-0.5000 0.2201 0.1225 ( 3296 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2636 -8.2636 -8.2636 -8.2636 -7.3298 -7.3298 -7.3295 -7.3295 -6.0905 -6.0905 -6.0905 -6.0905 5.3832 5.3832 5.3913 5.3913 k =-0.5000 0.2201 0.1131 ( 3298 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2637 -8.2637 -8.2635 -8.2635 -7.3300 -7.3300 -7.3294 -7.3294 -6.0905 -6.0905 -6.0905 -6.0905 5.3805 5.3805 5.3965 5.3965 k =-0.5000 0.2201 0.1036 ( 3294 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2637 -8.2637 -8.2635 -8.2635 -7.3302 -7.3302 -7.3292 -7.3292 -6.0905 -6.0905 -6.0905 -6.0905 5.3789 5.3790 5.4022 5.4022 k =-0.5000 0.2201 0.0942 ( 3286 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2638 -8.2638 -8.2634 -8.2634 -7.3303 -7.3303 -7.3291 -7.3291 -6.0905 -6.0905 -6.0905 -6.0905 5.3785 5.3785 5.4082 5.4082 k =-0.5000 0.2201 0.0848 ( 3284 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2638 -8.2638 -8.2634 -8.2634 -7.3304 -7.3304 -7.3289 -7.3289 -6.0905 -6.0905 -6.0905 -6.0905 5.3793 5.3793 5.4145 5.4145 k =-0.5000 0.2201 0.0754 ( 3284 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2638 -8.2638 -8.2634 -8.2634 -7.3306 -7.3306 -7.3288 -7.3288 -6.0905 -6.0905 -6.0905 -6.0905 5.3814 5.3814 5.4207 5.4207 k =-0.5000 0.2201 0.0660 ( 3286 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2638 -8.2638 -8.2633 -8.2633 -7.3307 -7.3307 -7.3287 -7.3287 -6.0905 -6.0905 -6.0905 -6.0905 5.3849 5.3849 5.4268 5.4268 k =-0.5000 0.2201 0.0565 ( 3282 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2633 -8.2633 -7.3308 -7.3308 -7.3286 -7.3286 -6.0905 -6.0905 -6.0905 -6.0905 5.3897 5.3897 5.4325 5.4325 k =-0.5000 0.2201 0.0471 ( 3292 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2633 -8.2633 -7.3309 -7.3309 -7.3285 -7.3285 -6.0906 -6.0906 -6.0905 -6.0905 5.3958 5.3958 5.4376 5.4376 k =-0.5000 0.2201 0.0377 ( 3290 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2633 -8.2633 -7.3310 -7.3310 -7.3284 -7.3284 -6.0906 -6.0906 -6.0905 -6.0905 5.4034 5.4034 5.4421 5.4421 k =-0.5000 0.2201 0.0283 ( 3300 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2633 -8.2633 -7.3310 -7.3310 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4122 5.4122 5.4457 5.4457 k =-0.5000 0.2201 0.0188 ( 3318 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2633 -8.2633 -7.3311 -7.3311 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4223 5.4223 5.4484 5.4484 k =-0.5000 0.2201 0.0094 ( 3314 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2639 -8.2639 -8.2632 -8.2632 -7.3311 -7.3311 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4335 5.4335 5.4500 5.4500 k =-0.5000 0.2201 0.0000 ( 3322 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2640 -8.2640 -8.2633 -8.2633 -7.3311 -7.3311 -7.3283 -7.3283 -6.0906 -6.0906 -6.0905 -6.0905 5.4430 5.4432 5.4501 5.4502 k = 0.0000 0.0000 0.1319 ( 3354 PWs) bands (ev): -22.7397 -22.7397 -22.7397 -22.7397 -7.6464 -7.6464 -7.6464 -7.6464 -6.8763 -6.8763 -6.8763 -6.8763 -5.9921 -5.9921 -5.9921 -5.9921 1.3081 1.3081 1.3083 1.3083 k =-0.0093 0.0041 0.1319 ( 3350 PWs) bands (ev): -22.7395 -22.7395 -22.7395 -22.7395 -7.6462 -7.6462 -7.6462 -7.6462 -6.8776 -6.8776 -6.8776 -6.8776 -5.9921 -5.9921 -5.9921 -5.9921 1.3098 1.3098 1.3099 1.3099 k =-0.0185 0.0082 0.1319 ( 3338 PWs) bands (ev): -22.7389 -22.7389 -22.7389 -22.7389 -7.6454 -7.6454 -7.6454 -7.6454 -6.8816 -6.8816 -6.8816 -6.8816 -5.9924 -5.9924 -5.9924 -5.9924 1.3147 1.3147 1.3149 1.3149 k =-0.0278 0.0122 0.1319 ( 3342 PWs) bands (ev): -22.7379 -22.7379 -22.7379 -22.7379 -7.6441 -7.6441 -7.6441 -7.6441 -6.8882 -6.8882 -6.8882 -6.8882 -5.9928 -5.9928 -5.9928 -5.9928 1.3229 1.3229 1.3231 1.3231 k =-0.0370 0.0163 0.1319 ( 3344 PWs) bands (ev): -22.7365 -22.7365 -22.7365 -22.7365 -7.6423 -7.6423 -7.6423 -7.6423 -6.8974 -6.8974 -6.8974 -6.8974 -5.9934 -5.9934 -5.9934 -5.9934 1.3344 1.3344 1.3346 1.3346 k =-0.0463 0.0204 0.1319 ( 3344 PWs) bands (ev): -22.7348 -22.7348 -22.7348 -22.7348 -7.6400 -7.6400 -7.6400 -7.6400 -6.9092 -6.9092 -6.9092 -6.9092 -5.9941 -5.9941 -5.9941 -5.9941 1.3492 1.3492 1.3494 1.3494 k =-0.0556 0.0245 0.1319 ( 3340 PWs) bands (ev): -22.7326 -22.7326 -22.7326 -22.7326 -7.6372 -7.6372 -7.6372 -7.6372 -6.9234 -6.9234 -6.9234 -6.9234 -5.9951 -5.9951 -5.9951 -5.9951 1.3672 1.3672 1.3674 1.3674 k =-0.0648 0.0285 0.1319 ( 3346 PWs) bands (ev): -22.7301 -22.7301 -22.7301 -22.7301 -7.6340 -7.6340 -7.6340 -7.6340 -6.9401 -6.9401 -6.9401 -6.9401 -5.9961 -5.9961 -5.9961 -5.9961 1.3885 1.3885 1.3887 1.3887 k =-0.0741 0.0326 0.1319 ( 3338 PWs) bands (ev): -22.7271 -22.7271 -22.7271 -22.7271 -7.6302 -7.6302 -7.6302 -7.6302 -6.9592 -6.9592 -6.9592 -6.9592 -5.9974 -5.9974 -5.9974 -5.9974 1.4129 1.4129 1.4131 1.4131 k =-0.0833 0.0367 0.1319 ( 3338 PWs) bands (ev): -22.7239 -22.7239 -22.7239 -22.7239 -7.6260 -7.6260 -7.6260 -7.6260 -6.9805 -6.9805 -6.9805 -6.9805 -5.9987 -5.9987 -5.9987 -5.9987 1.4405 1.4405 1.4407 1.4407 k =-0.0926 0.0408 0.1319 ( 3334 PWs) bands (ev): -22.7202 -22.7202 -22.7202 -22.7202 -7.6213 -7.6213 -7.6213 -7.6213 -7.0039 -7.0039 -7.0039 -7.0039 -6.0003 -6.0003 -6.0003 -6.0003 1.4712 1.4712 1.4714 1.4714 k =-0.1019 0.0448 0.1319 ( 3334 PWs) bands (ev): -22.7163 -22.7163 -22.7163 -22.7163 -7.6162 -7.6162 -7.6162 -7.6162 -7.0294 -7.0294 -7.0294 -7.0294 -6.0019 -6.0019 -6.0019 -6.0019 1.5051 1.5051 1.5053 1.5053 k =-0.1111 0.0489 0.1319 ( 3348 PWs) bands (ev): -22.7120 -22.7120 -22.7120 -22.7120 -7.6107 -7.6107 -7.6107 -7.6107 -7.0568 -7.0568 -7.0568 -7.0568 -6.0037 -6.0037 -6.0037 -6.0037 1.5420 1.5420 1.5422 1.5422 k =-0.1204 0.0530 0.1319 ( 3344 PWs) bands (ev): -22.7074 -22.7074 -22.7074 -22.7074 -7.6047 -7.6047 -7.6047 -7.6047 -7.0861 -7.0861 -7.0861 -7.0861 -6.0056 -6.0056 -6.0056 -6.0056 1.5819 1.5819 1.5822 1.5822 k =-0.1296 0.0571 0.1319 ( 3336 PWs) bands (ev): -22.7024 -22.7024 -22.7024 -22.7024 -7.5984 -7.5984 -7.5984 -7.5984 -7.1170 -7.1170 -7.1170 -7.1170 -6.0077 -6.0077 -6.0077 -6.0077 1.6249 1.6249 1.6251 1.6251 k =-0.1389 0.0611 0.1319 ( 3342 PWs) bands (ev): -22.6972 -22.6972 -22.6972 -22.6972 -7.5918 -7.5918 -7.5918 -7.5918 -7.1494 -7.1494 -7.1494 -7.1494 -6.0099 -6.0099 -6.0099 -6.0099 1.6709 1.6709 1.6711 1.6711 k =-0.1481 0.0652 0.1319 ( 3338 PWs) bands (ev): -22.6918 -22.6918 -22.6918 -22.6918 -7.5847 -7.5847 -7.5847 -7.5847 -7.1833 -7.1833 -7.1833 -7.1833 -6.0121 -6.0121 -6.0121 -6.0121 1.7197 1.7197 1.7199 1.7199 k =-0.1574 0.0693 0.1319 ( 3338 PWs) bands (ev): -22.6860 -22.6860 -22.6860 -22.6860 -7.5774 -7.5774 -7.5774 -7.5774 -7.2185 -7.2185 -7.2185 -7.2185 -6.0145 -6.0145 -6.0145 -6.0145 1.7715 1.7715 1.7717 1.7717 k =-0.1667 0.0734 0.1319 ( 3342 PWs) bands (ev): -22.6801 -22.6801 -22.6801 -22.6801 -7.5698 -7.5698 -7.5698 -7.5698 -7.2547 -7.2547 -7.2547 -7.2547 -6.0169 -6.0169 -6.0169 -6.0169 1.8262 1.8262 1.8264 1.8264 k =-0.1759 0.0774 0.1319 ( 3346 PWs) bands (ev): -22.6739 -22.6739 -22.6739 -22.6739 -7.5619 -7.5619 -7.5619 -7.5619 -7.2920 -7.2920 -7.2920 -7.2920 -6.0195 -6.0195 -6.0195 -6.0195 1.8837 1.8837 1.8839 1.8839 k =-0.1852 0.0815 0.1319 ( 3346 PWs) bands (ev): -22.6675 -22.6675 -22.6675 -22.6675 -7.5538 -7.5538 -7.5538 -7.5538 -7.3300 -7.3300 -7.3300 -7.3300 -6.0221 -6.0221 -6.0221 -6.0221 1.9440 1.9440 1.9442 1.9442 k =-0.1944 0.0856 0.1319 ( 3352 PWs) bands (ev): -22.6610 -22.6610 -22.6610 -22.6610 -7.5456 -7.5456 -7.5456 -7.5456 -7.3687 -7.3687 -7.3687 -7.3687 -6.0248 -6.0248 -6.0248 -6.0248 2.0071 2.0071 2.0073 2.0073 k =-0.2037 0.0897 0.1319 ( 3346 PWs) bands (ev): -22.6543 -22.6543 -22.6543 -22.6543 -7.5372 -7.5372 -7.5372 -7.5372 -7.4078 -7.4078 -7.4078 -7.4078 -6.0275 -6.0275 -6.0275 -6.0275 2.0730 2.0730 2.0732 2.0732 k =-0.2130 0.0937 0.1319 ( 3346 PWs) bands (ev): -22.6475 -22.6475 -22.6475 -22.6475 -7.5291 -7.5291 -7.5291 -7.5291 -7.4470 -7.4470 -7.4470 -7.4470 -6.0303 -6.0303 -6.0303 -6.0303 2.1416 2.1416 2.1418 2.1418 k =-0.2222 0.0978 0.1319 ( 3342 PWs) bands (ev): -22.6405 -22.6405 -22.6405 -22.6405 -7.5227 -7.5227 -7.5227 -7.5227 -7.4846 -7.4846 -7.4846 -7.4846 -6.0331 -6.0331 -6.0331 -6.0331 2.2129 2.2129 2.2131 2.2131 k =-0.2315 0.1019 0.1319 ( 3338 PWs) bands (ev): -22.6335 -22.6335 -22.6335 -22.6335 -7.5349 -7.5349 -7.5349 -7.5349 -7.5036 -7.5036 -7.5036 -7.5036 -6.0359 -6.0359 -6.0359 -6.0359 2.2869 2.2869 2.2871 2.2871 k =-0.2407 0.1060 0.1319 ( 3334 PWs) bands (ev): -22.6264 -22.6264 -22.6264 -22.6264 -7.5715 -7.5715 -7.5715 -7.5715 -7.4981 -7.4981 -7.4981 -7.4981 -6.0388 -6.0388 -6.0388 -6.0388 2.3636 2.3636 2.3638 2.3638 k =-0.2500 0.1100 0.1319 ( 3338 PWs) bands (ev): -22.6193 -22.6193 -22.6193 -22.6193 -7.6108 -7.6108 -7.6108 -7.6108 -7.4898 -7.4898 -7.4898 -7.4898 -6.0416 -6.0416 -6.0416 -6.0416 2.4430 2.4430 2.4432 2.4432 k =-0.2593 0.1141 0.1319 ( 3336 PWs) bands (ev): -22.6121 -22.6121 -22.6121 -22.6121 -7.6503 -7.6503 -7.6503 -7.6503 -7.4809 -7.4809 -7.4809 -7.4809 -6.0445 -6.0445 -6.0445 -6.0445 2.5249 2.5249 2.5251 2.5251 k =-0.2685 0.1182 0.1319 ( 3334 PWs) bands (ev): -22.6050 -22.6050 -22.6050 -22.6050 -7.6896 -7.6896 -7.6896 -7.6896 -7.4719 -7.4719 -7.4719 -7.4719 -6.0473 -6.0473 -6.0473 -6.0473 2.6095 2.6095 2.6097 2.6097 k =-0.2778 0.1223 0.1319 ( 3334 PWs) bands (ev): -22.5979 -22.5979 -22.5979 -22.5979 -7.7284 -7.7284 -7.7284 -7.7284 -7.4629 -7.4629 -7.4629 -7.4629 -6.0502 -6.0502 -6.0502 -6.0502 2.6967 2.6967 2.6970 2.6970 k =-0.2870 0.1263 0.1319 ( 3336 PWs) bands (ev): -22.5908 -22.5908 -22.5908 -22.5908 -7.7667 -7.7667 -7.7667 -7.7667 -7.4539 -7.4539 -7.4539 -7.4539 -6.0530 -6.0530 -6.0530 -6.0530 2.7865 2.7865 2.7868 2.7868 k =-0.2963 0.1304 0.1319 ( 3342 PWs) bands (ev): -22.5838 -22.5838 -22.5838 -22.5838 -7.8042 -7.8042 -7.8042 -7.8042 -7.4450 -7.4450 -7.4450 -7.4450 -6.0557 -6.0557 -6.0557 -6.0557 2.8789 2.8789 2.8791 2.8791 k =-0.3056 0.1345 0.1319 ( 3338 PWs) bands (ev): -22.5770 -22.5770 -22.5770 -22.5770 -7.8409 -7.8409 -7.8409 -7.8409 -7.4362 -7.4362 -7.4362 -7.4362 -6.0584 -6.0584 -6.0584 -6.0584 2.9739 2.9739 2.9741 2.9741 k =-0.3148 0.1386 0.1319 ( 3334 PWs) bands (ev): -22.5702 -22.5702 -22.5702 -22.5702 -7.8766 -7.8766 -7.8766 -7.8766 -7.4276 -7.4276 -7.4276 -7.4276 -6.0611 -6.0611 -6.0611 -6.0611 3.0714 3.0714 3.0716 3.0716 k =-0.3241 0.1426 0.1319 ( 3334 PWs) bands (ev): -22.5637 -22.5637 -22.5637 -22.5637 -7.9113 -7.9113 -7.9113 -7.9113 -7.4191 -7.4191 -7.4191 -7.4191 -6.0637 -6.0637 -6.0637 -6.0637 3.1714 3.1714 3.1717 3.1717 k =-0.3333 0.1467 0.1319 ( 3326 PWs) bands (ev): -22.5572 -22.5572 -22.5572 -22.5572 -7.9448 -7.9448 -7.9448 -7.9448 -7.4109 -7.4109 -7.4109 -7.4109 -6.0662 -6.0662 -6.0662 -6.0662 3.2740 3.2740 3.2742 3.2742 k =-0.3426 0.1508 0.1319 ( 3320 PWs) bands (ev): -22.5510 -22.5510 -22.5510 -22.5510 -7.9770 -7.9770 -7.9770 -7.9770 -7.4029 -7.4029 -7.4029 -7.4029 -6.0686 -6.0686 -6.0686 -6.0686 3.3791 3.3791 3.3793 3.3793 k =-0.3519 0.1549 0.1319 ( 3314 PWs) bands (ev): -22.5450 -22.5450 -22.5450 -22.5450 -8.0078 -8.0078 -8.0078 -8.0078 -7.3952 -7.3952 -7.3952 -7.3952 -6.0709 -6.0709 -6.0709 -6.0709 3.4867 3.4867 3.4869 3.4869 k =-0.3611 0.1589 0.1319 ( 3318 PWs) bands (ev): -22.5393 -22.5393 -22.5393 -22.5393 -8.0373 -8.0373 -8.0373 -8.0373 -7.3879 -7.3879 -7.3879 -7.3879 -6.0732 -6.0732 -6.0732 -6.0732 3.5968 3.5968 3.5970 3.5970 k =-0.3704 0.1630 0.1319 ( 3310 PWs) bands (ev): -22.5338 -22.5338 -22.5338 -22.5338 -8.0652 -8.0652 -8.0652 -8.0652 -7.3808 -7.3808 -7.3808 -7.3808 -6.0753 -6.0753 -6.0753 -6.0753 3.7093 3.7093 3.7095 3.7095 k =-0.3796 0.1671 0.1319 ( 3314 PWs) bands (ev): -22.5286 -22.5286 -22.5286 -22.5286 -8.0915 -8.0915 -8.0915 -8.0915 -7.3742 -7.3742 -7.3742 -7.3742 -6.0773 -6.0773 -6.0773 -6.0773 3.8242 3.8242 3.8244 3.8244 k =-0.3889 0.1712 0.1319 ( 3310 PWs) bands (ev): -22.5237 -22.5237 -22.5237 -22.5237 -8.1162 -8.1162 -8.1162 -8.1162 -7.3679 -7.3679 -7.3679 -7.3679 -6.0792 -6.0792 -6.0792 -6.0792 3.9416 3.9416 3.9418 3.9418 k =-0.3981 0.1752 0.1319 ( 3310 PWs) bands (ev): -22.5191 -22.5191 -22.5191 -22.5191 -8.1391 -8.1391 -8.1391 -8.1391 -7.3620 -7.3620 -7.3620 -7.3620 -6.0809 -6.0809 -6.0809 -6.0809 4.0613 4.0613 4.0615 4.0615 k =-0.4074 0.1793 0.1319 ( 3306 PWs) bands (ev): -22.5149 -22.5149 -22.5149 -22.5149 -8.1603 -8.1603 -8.1603 -8.1603 -7.3566 -7.3566 -7.3566 -7.3566 -6.0826 -6.0826 -6.0826 -6.0826 4.1833 4.1833 4.1835 4.1835 k =-0.4167 0.1834 0.1319 ( 3302 PWs) bands (ev): -22.5110 -22.5110 -22.5110 -22.5110 -8.1795 -8.1795 -8.1795 -8.1795 -7.3516 -7.3516 -7.3516 -7.3516 -6.0840 -6.0840 -6.0840 -6.0840 4.3075 4.3075 4.3077 4.3077 k =-0.4259 0.1875 0.1319 ( 3302 PWs) bands (ev): -22.5075 -22.5075 -22.5075 -22.5075 -8.1969 -8.1969 -8.1969 -8.1969 -7.3471 -7.3471 -7.3471 -7.3471 -6.0854 -6.0854 -6.0854 -6.0854 4.4339 4.4339 4.4341 4.4341 k =-0.4352 0.1915 0.1319 ( 3298 PWs) bands (ev): -22.5044 -22.5044 -22.5044 -22.5044 -8.2124 -8.2124 -8.2124 -8.2124 -7.3431 -7.3431 -7.3431 -7.3431 -6.0866 -6.0866 -6.0866 -6.0866 4.5622 4.5623 4.5625 4.5625 k =-0.4444 0.1956 0.1319 ( 3300 PWs) bands (ev): -22.5016 -22.5016 -22.5016 -22.5016 -8.2259 -8.2259 -8.2259 -8.2259 -7.3396 -7.3396 -7.3396 -7.3396 -6.0876 -6.0876 -6.0876 -6.0876 4.6924 4.6924 4.6926 4.6926 k =-0.4537 0.1997 0.1319 ( 3296 PWs) bands (ev): -22.4993 -22.4993 -22.4993 -22.4993 -8.2373 -8.2373 -8.2373 -8.2373 -7.3366 -7.3366 -7.3366 -7.3366 -6.0885 -6.0885 -6.0885 -6.0885 4.8240 4.8240 4.8242 4.8242 k =-0.4630 0.2038 0.1319 ( 3290 PWs) bands (ev): -22.4974 -22.4974 -22.4974 -22.4974 -8.2468 -8.2468 -8.2468 -8.2468 -7.3341 -7.3341 -7.3341 -7.3341 -6.0892 -6.0892 -6.0892 -6.0892 4.9564 4.9564 4.9566 4.9566 k =-0.4722 0.2078 0.1319 ( 3294 PWs) bands (ev): -22.4959 -22.4959 -22.4959 -22.4959 -8.2541 -8.2541 -8.2541 -8.2541 -7.3322 -7.3322 -7.3322 -7.3322 -6.0898 -6.0898 -6.0898 -6.0898 5.0883 5.0883 5.0885 5.0885 k =-0.4815 0.2119 0.1319 ( 3290 PWs) bands (ev): -22.4948 -22.4948 -22.4948 -22.4948 -8.2594 -8.2594 -8.2594 -8.2594 -7.3308 -7.3308 -7.3308 -7.3308 -6.0902 -6.0902 -6.0902 -6.0902 5.2165 5.2165 5.2167 5.2167 k =-0.4907 0.2160 0.1319 ( 3294 PWs) bands (ev): -22.4941 -22.4941 -22.4941 -22.4941 -8.2625 -8.2625 -8.2625 -8.2625 -7.3300 -7.3300 -7.3300 -7.3300 -6.0905 -6.0905 -6.0905 -6.0905 5.3303 5.3303 5.3305 5.3305 k =-0.5000 0.2201 0.1319 ( 3304 PWs) bands (ev): -22.4939 -22.4939 -22.4939 -22.4939 -8.2636 -8.2636 -8.2636 -8.2636 -7.3297 -7.3297 -7.3297 -7.3297 -6.0905 -6.0905 -6.0905 -6.0905 5.3868 5.3868 5.3869 5.3869 Writing output data file O2.save init_run : 0.08s CPU 0.21s WALL ( 1 calls) electrons : 79.50s CPU 81.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 79.49s CPU 81.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 484 calls) cegterg : 75.37s CPU 76.62s WALL ( 1012 calls) Called by sum_band: Called by *egterg: h_psi : 35.87s CPU 36.90s WALL ( 17811 calls) s_psi : 0.40s CPU 0.44s WALL ( 17811 calls) g_psi : 0.15s CPU 0.15s WALL ( 16315 calls) cdiaghg : 35.48s CPU 35.75s WALL ( 16799 calls) cegterg:over : 2.15s CPU 2.08s WALL ( 16315 calls) cegterg:upda : 1.95s CPU 2.02s WALL ( 16315 calls) cegterg:last : 0.82s CPU 0.89s WALL ( 2205 calls) cdiaghg:chol : 1.95s CPU 1.93s WALL ( 16799 calls) cdiaghg:inve : 0.34s CPU 0.40s WALL ( 16799 calls) cdiaghg:para : 2.58s CPU 2.56s WALL ( 33598 calls) Called by h_psi: h_psi:vloc : 34.44s CPU 35.39s WALL ( 17811 calls) h_psi:vnl : 1.36s CPU 1.44s WALL ( 17811 calls) add_vuspsi : 0.51s CPU 0.50s WALL ( 17811 calls) General routines calbec : 0.82s CPU 0.90s WALL ( 17811 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 32.22s CPU 33.09s WALL ( 508088 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.18s WALL ( 968 calls) Parallel routines fft_scatter : 12.34s CPU 12.31s WALL ( 508111 calls) PWSCF : 1m28.50s CPU 1m51.45s WALL This run was terminated on: 21: 4: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=