Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:20:10 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: ./HgC2xSNx2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized 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 71 30 8 3779 1031 160 Max 72 31 9 3788 1052 166 Sum 2591 1107 323 136289 37491 5921 bravais-lattice index = 14 lattice parameter (alat) = 10.9648 a.u. unit-cell volume = 950.6349 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.964835 celldm(2)= 1.000000 celldm(3)= 1.109035 celldm(4)= 0.086261 celldm(5)= 0.086261 celldm(6)= 0.757364 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.757364 0.652994 0.000000 ) a(3) = ( 0.095666 0.035547 1.104329 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.159833 -0.049294 ) b(2) = ( 0.000000 1.531409 -0.049294 ) b(3) = ( 0.000000 0.000000 0.905527 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0166667 0.0061929 -0.0016431), wk = 0.0029326 k( 3) = ( 0.0333333 0.0123859 -0.0032863), wk = 0.0029326 k( 4) = ( 0.0500000 0.0185788 -0.0049294), wk = 0.0029326 k( 5) = ( 0.0666667 0.0247717 -0.0065726), wk = 0.0029326 k( 6) = ( 0.0833333 0.0309646 -0.0082157), wk = 0.0029326 k( 7) = ( 0.1000000 0.0371576 -0.0098589), wk = 0.0029326 k( 8) = ( 0.1166667 0.0433505 -0.0115020), wk = 0.0029326 k( 9) = ( 0.1333333 0.0495434 -0.0131452), wk = 0.0029326 k( 10) = ( 0.1500000 0.0557363 -0.0147883), wk = 0.0029326 k( 11) = ( 0.1666667 0.0619293 -0.0164315), wk = 0.0029326 k( 12) = ( 0.1833333 0.0681222 -0.0180746), wk = 0.0029326 k( 13) = ( 0.2000000 0.0743151 -0.0197177), wk = 0.0029326 k( 14) = ( 0.2166667 0.0805081 -0.0213609), wk = 0.0029326 k( 15) = ( 0.2333333 0.0867010 -0.0230040), wk = 0.0029326 k( 16) = ( 0.2500000 0.0928939 -0.0246472), wk = 0.0029326 k( 17) = ( 0.2666667 0.0990868 -0.0262903), wk = 0.0029326 k( 18) = ( 0.2833333 0.1052798 -0.0279335), wk = 0.0029326 k( 19) = ( 0.3000000 0.1114727 -0.0295766), wk = 0.0029326 k( 20) = ( 0.3166667 0.1176656 -0.0312198), wk = 0.0029326 k( 21) = ( 0.3333333 0.1238586 -0.0328629), wk = 0.0029326 k( 22) = ( 0.3500000 0.1300515 -0.0345061), wk = 0.0029326 k( 23) = ( 0.3666667 0.1362444 -0.0361492), wk = 0.0029326 k( 24) = ( 0.3833333 0.1424373 -0.0377923), wk = 0.0029326 k( 25) = ( 0.4000000 0.1486303 -0.0394355), wk = 0.0029326 k( 26) = ( 0.4166667 0.1548232 -0.0410786), wk = 0.0029326 k( 27) = ( 0.4333333 0.1610161 -0.0427218), wk = 0.0029326 k( 28) = ( 0.4500000 0.1672090 -0.0443649), wk = 0.0029326 k( 29) = ( 0.4666667 0.1734020 -0.0460081), wk = 0.0029326 k( 30) = ( 0.4833333 0.1795949 -0.0476512), wk = 0.0029326 k( 31) = ( 0.5000000 0.1857878 -0.0492944), wk = 0.0029326 k( 32) = ( 0.5000000 0.1857878 -0.0492944), wk = 0.0029326 k( 33) = ( 0.5015887 0.1863782 -0.0309549), wk = 0.0029326 k( 34) = ( 0.5031774 0.1869685 -0.0126154), wk = 0.0029326 k( 35) = ( 0.5047662 0.1875588 0.0057241), wk = 0.0029326 k( 36) = ( 0.5063549 0.1881491 0.0240637), wk = 0.0029326 k( 37) = ( 0.5079436 0.1887395 0.0424032), wk = 0.0029326 k( 38) = ( 0.5095323 0.1893298 0.0607427), wk = 0.0029326 k( 39) = ( 0.5111210 0.1899201 0.0790822), wk = 0.0029326 k( 40) = ( 0.5127097 0.1905105 0.0974217), wk = 0.0029326 k( 41) = ( 0.5142984 0.1911008 0.1157612), wk = 0.0029326 k( 42) = ( 0.5158872 0.1916911 0.1341007), wk = 0.0029326 k( 43) = ( 0.5174759 0.1922814 0.1524402), wk = 0.0029326 k( 44) = ( 0.5190646 0.1928718 0.1707797), wk = 0.0029326 k( 45) = ( 0.5206533 0.1934621 0.1891192), wk = 0.0029326 k( 46) = ( 0.5222420 0.1940524 0.2074587), wk = 0.0029326 k( 47) = ( 0.5238308 0.1946428 0.2257982), wk = 0.0029326 k( 48) = ( 0.5254195 0.1952331 0.2441377), wk = 0.0029326 k( 49) = ( 0.5270082 0.1958234 0.2624772), wk = 0.0029326 k( 50) = ( 0.5285969 0.1964137 0.2808167), wk = 0.0029326 k( 51) = ( 0.5301856 0.1970041 0.2991562), wk = 0.0029326 k( 52) = ( 0.5317743 0.1975944 0.3174957), wk = 0.0029326 k( 53) = ( 0.5333631 0.1981847 0.3358352), wk = 0.0029326 k( 54) = ( 0.5349518 0.1987751 0.3541747), wk = 0.0029326 k( 55) = ( 0.5349518 0.1987751 0.3541747), wk = 0.0029326 k( 56) = ( 0.5262138 0.1955282 0.3664983), wk = 0.0029326 k( 57) = ( 0.5174759 0.1922814 0.3788219), wk = 0.0029326 k( 58) = ( 0.5087379 0.1890346 0.3911455), wk = 0.0029326 k( 59) = ( 0.5000000 0.1857878 0.4034691), wk = 0.0029326 k( 60) = ( 0.5000000 0.1857878 0.4034691), wk = 0.0029326 k( 61) = ( 0.5063030 0.1688251 0.4034691), wk = 0.0029326 k( 62) = ( 0.5126059 0.1518623 0.4034691), wk = 0.0029326 k( 63) = ( 0.5189089 0.1348995 0.4034691), wk = 0.0029326 k( 64) = ( 0.5252118 0.1179367 0.4034691), wk = 0.0029326 k( 65) = ( 0.5315148 0.1009740 0.4034691), wk = 0.0029326 k( 66) = ( 0.5378177 0.0840112 0.4034691), wk = 0.0029326 k( 67) = ( 0.5441207 0.0670484 0.4034691), wk = 0.0029326 k( 68) = ( 0.5504236 0.0500856 0.4034691), wk = 0.0029326 k( 69) = ( 0.5567266 0.0331228 0.4034691), wk = 0.0029326 k( 70) = ( 0.5630295 0.0161601 0.4034691), wk = 0.0029326 k( 71) = ( 0.5693325 -0.0008027 0.4034691), wk = 0.0029326 k( 72) = ( 0.5756355 -0.0177655 0.4034691), wk = 0.0029326 k( 73) = ( 0.5819384 -0.0347283 0.4034691), wk = 0.0029326 k( 74) = ( 0.5882414 -0.0516910 0.4034691), wk = 0.0029326 k( 75) = ( 0.5945443 -0.0686538 0.4034691), wk = 0.0029326 k( 76) = ( 0.6008473 -0.0856166 0.4034691), wk = 0.0029326 k( 77) = ( 0.6071502 -0.1025794 0.4034691), wk = 0.0029326 k( 78) = ( 0.6134532 -0.1195422 0.4034691), wk = 0.0029326 k( 79) = ( 0.6197561 -0.1365049 0.4034691), wk = 0.0029326 k( 80) = ( 0.6260591 -0.1534677 0.4034691), wk = 0.0029326 k( 81) = ( 0.6323621 -0.1704305 0.4034691), wk = 0.0029326 k( 82) = ( 0.6386650 -0.1873932 0.4034691), wk = 0.0029326 k( 83) = ( 0.6449680 -0.2043560 0.4034691), wk = 0.0029326 k( 84) = ( 0.6512709 -0.2213188 0.4034691), wk = 0.0029326 k( 85) = ( 0.6575739 -0.2382816 0.4034691), wk = 0.0029326 k( 86) = ( 0.6638768 -0.2552443 0.4034691), wk = 0.0029326 k( 87) = ( 0.6701798 -0.2722071 0.4034691), wk = 0.0029326 k( 88) = ( 0.6764827 -0.2891699 0.4034691), wk = 0.0029326 k( 89) = ( 0.6827857 -0.3061327 0.4034691), wk = 0.0029326 k( 90) = ( 0.6890886 -0.3230955 0.4034691), wk = 0.0029326 k( 91) = ( 0.6953916 -0.3400582 0.4034691), wk = 0.0029326 k( 92) = ( 0.7016946 -0.3570210 0.4034691), wk = 0.0029326 k( 93) = ( 0.7079975 -0.3739838 0.4034691), wk = 0.0029326 k( 94) = ( 0.7143005 -0.3909466 0.4034691), wk = 0.0029326 k( 95) = ( 0.7206034 -0.4079094 0.4034691), wk = 0.0029326 k( 96) = ( 0.2793966 -0.7519238 0.4527635), wk = 0.0029326 k( 97) = ( 0.2730467 -0.7348346 0.4527635), wk = 0.0029326 k( 98) = ( 0.2666967 -0.7177455 0.4527635), wk = 0.0029326 k( 99) = ( 0.2603468 -0.7006563 0.4527635), wk = 0.0029326 k( 100) = ( 0.2539969 -0.6835671 0.4527635), wk = 0.0029326 k( 101) = ( 0.2476470 -0.6664779 0.4527635), wk = 0.0029326 k( 102) = ( 0.2412971 -0.6493887 0.4527635), wk = 0.0029326 k( 103) = ( 0.2349471 -0.6322996 0.4527635), wk = 0.0029326 k( 104) = ( 0.2285972 -0.6152104 0.4527635), wk = 0.0029326 k( 105) = ( 0.2222473 -0.5981212 0.4527635), wk = 0.0029326 k( 106) = ( 0.2158974 -0.5810320 0.4527635), wk = 0.0029326 k( 107) = ( 0.2095474 -0.5639429 0.4527635), wk = 0.0029326 k( 108) = ( 0.2031975 -0.5468537 0.4527635), wk = 0.0029326 k( 109) = ( 0.1968476 -0.5297645 0.4527635), wk = 0.0029326 k( 110) = ( 0.1904977 -0.5126753 0.4527635), wk = 0.0029326 k( 111) = ( 0.1841477 -0.4955862 0.4527635), wk = 0.0029326 k( 112) = ( 0.1777978 -0.4784970 0.4527635), wk = 0.0029326 k( 113) = ( 0.1714479 -0.4614078 0.4527635), wk = 0.0029326 k( 114) = ( 0.1650980 -0.4443186 0.4527635), wk = 0.0029326 k( 115) = ( 0.1587481 -0.4272294 0.4527635), wk = 0.0029326 k( 116) = ( 0.1523981 -0.4101403 0.4527635), wk = 0.0029326 k( 117) = ( 0.1460482 -0.3930511 0.4527635), wk = 0.0029326 k( 118) = ( 0.1396983 -0.3759619 0.4527635), wk = 0.0029326 k( 119) = ( 0.1333484 -0.3588727 0.4527635), wk = 0.0029326 k( 120) = ( 0.1269985 -0.3417836 0.4527635), wk = 0.0029326 k( 121) = ( 0.1206485 -0.3246944 0.4527635), wk = 0.0029326 k( 122) = ( 0.1142986 -0.3076052 0.4527635), wk = 0.0029326 k( 123) = ( 0.1079487 -0.2905160 0.4527635), wk = 0.0029326 k( 124) = ( 0.1015988 -0.2734268 0.4527635), wk = 0.0029326 k( 125) = ( 0.0952488 -0.2563377 0.4527635), wk = 0.0029326 k( 126) = ( 0.0888989 -0.2392485 0.4527635), wk = 0.0029326 k( 127) = ( 0.0825490 -0.2221593 0.4527635), wk = 0.0029326 k( 128) = ( 0.0761991 -0.2050701 0.4527635), wk = 0.0029326 k( 129) = ( 0.0698491 -0.1879810 0.4527635), wk = 0.0029326 k( 130) = ( 0.0634992 -0.1708918 0.4527635), wk = 0.0029326 k( 131) = ( 0.0571493 -0.1538026 0.4527635), wk = 0.0029326 k( 132) = ( 0.0507994 -0.1367134 0.4527635), wk = 0.0029326 k( 133) = ( 0.0444495 -0.1196243 0.4527635), wk = 0.0029326 k( 134) = ( 0.0380995 -0.1025351 0.4527635), wk = 0.0029326 k( 135) = ( 0.0317496 -0.0854459 0.4527635), wk = 0.0029326 k( 136) = ( 0.0253997 -0.0683567 0.4527635), wk = 0.0029326 k( 137) = ( 0.0190498 -0.0512675 0.4527635), wk = 0.0029326 k( 138) = ( 0.0126998 -0.0341783 0.4527635), wk = 0.0029326 k( 139) = ( 0.0063499 -0.0170892 0.4527635), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.4527635), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.4527635), wk = 0.0029326 k( 142) = ( 0.0172240 0.0064000 0.4527635), wk = 0.0029326 k( 143) = ( 0.0344480 0.0128000 0.4527635), wk = 0.0029326 k( 144) = ( 0.0516720 0.0192001 0.4527635), wk = 0.0029326 k( 145) = ( 0.0688960 0.0256001 0.4527635), wk = 0.0029326 k( 146) = ( 0.0861200 0.0320001 0.4527635), wk = 0.0029326 k( 147) = ( 0.1033441 0.0384001 0.4527635), wk = 0.0029326 k( 148) = ( 0.1205681 0.0448002 0.4527635), wk = 0.0029326 k( 149) = ( 0.1377921 0.0512002 0.4527635), wk = 0.0029326 k( 150) = ( 0.1550161 0.0576002 0.4527635), wk = 0.0029326 k( 151) = ( 0.1722401 0.0640002 0.4527635), wk = 0.0029326 k( 152) = ( 0.1894641 0.0704002 0.4527635), wk = 0.0029326 k( 153) = ( 0.2066881 0.0768003 0.4527635), wk = 0.0029326 k( 154) = ( 0.2239121 0.0832003 0.4527635), wk = 0.0029326 k( 155) = ( 0.2411361 0.0896003 0.4527635), wk = 0.0029326 k( 156) = ( 0.2583601 0.0960003 0.4527635), wk = 0.0029326 k( 157) = ( 0.2755841 0.1024004 0.4527635), wk = 0.0029326 k( 158) = ( 0.2928081 0.1088004 0.4527635), wk = 0.0029326 k( 159) = ( 0.3100322 0.1152004 0.4527635), wk = 0.0029326 k( 160) = ( 0.3272562 0.1216004 0.4527635), wk = 0.0029326 k( 161) = ( 0.3444802 0.1280004 0.4527635), wk = 0.0029326 k( 162) = ( 0.3617042 0.1344005 0.4527635), wk = 0.0029326 k( 163) = ( 0.3789282 0.1408005 0.4527635), wk = 0.0029326 k( 164) = ( 0.3961522 0.1472005 0.4527635), wk = 0.0029326 k( 165) = ( 0.4133762 0.1536005 0.4527635), wk = 0.0029326 k( 166) = ( 0.4306002 0.1600006 0.4527635), wk = 0.0029326 k( 167) = ( 0.4478242 0.1664006 0.4527635), wk = 0.0029326 k( 168) = ( 0.4650482 0.1728006 0.4527635), wk = 0.0029326 k( 169) = ( 0.5000000 0.1857878 -0.0492944), wk = 0.0029326 k( 170) = ( 0.5063291 0.1687548 -0.0492944), wk = 0.0029326 k( 171) = ( 0.5126581 0.1517218 -0.0492944), wk = 0.0029326 k( 172) = ( 0.5189872 0.1346887 -0.0492944), wk = 0.0029326 k( 173) = ( 0.5253163 0.1176557 -0.0492944), wk = 0.0029326 k( 174) = ( 0.5316453 0.1006226 -0.0492944), wk = 0.0029326 k( 175) = ( 0.5379744 0.0835896 -0.0492944), wk = 0.0029326 k( 176) = ( 0.5443034 0.0665566 -0.0492944), wk = 0.0029326 k( 177) = ( 0.5506325 0.0495235 -0.0492944), wk = 0.0029326 k( 178) = ( 0.5569616 0.0324905 -0.0492944), wk = 0.0029326 k( 179) = ( 0.5632906 0.0154575 -0.0492944), wk = 0.0029326 k( 180) = ( 0.5696197 -0.0015756 -0.0492944), wk = 0.0029326 k( 181) = ( 0.5759487 -0.0186086 -0.0492944), wk = 0.0029326 k( 182) = ( 0.5822778 -0.0356416 -0.0492944), wk = 0.0029326 k( 183) = ( 0.5886069 -0.0526747 -0.0492944), wk = 0.0029326 k( 184) = ( 0.5949359 -0.0697077 -0.0492944), wk = 0.0029326 k( 185) = ( 0.6012650 -0.0867407 -0.0492944), wk = 0.0029326 k( 186) = ( 0.6075940 -0.1037738 -0.0492944), wk = 0.0029326 k( 187) = ( 0.6139231 -0.1208068 -0.0492944), wk = 0.0029326 k( 188) = ( 0.6202522 -0.1378399 -0.0492944), wk = 0.0029326 k( 189) = ( 0.6265812 -0.1548729 -0.0492944), wk = 0.0029326 k( 190) = ( 0.6329103 -0.1719059 -0.0492944), wk = 0.0029326 k( 191) = ( 0.6392393 -0.1889390 -0.0492944), wk = 0.0029326 k( 192) = ( 0.6455684 -0.2059720 -0.0492944), wk = 0.0029326 k( 193) = ( 0.6518975 -0.2230050 -0.0492944), wk = 0.0029326 k( 194) = ( 0.6582265 -0.2400380 -0.0492944), wk = 0.0029326 k( 195) = ( 0.6645556 -0.2570711 -0.0492944), wk = 0.0029326 k( 196) = ( 0.6708847 -0.2741041 -0.0492944), wk = 0.0029326 k( 197) = ( 0.6772137 -0.2911372 -0.0492944), wk = 0.0029326 k( 198) = ( 0.6835428 -0.3081702 -0.0492944), wk = 0.0029326 k( 199) = ( 0.6898718 -0.3252032 -0.0492944), wk = 0.0029326 k( 200) = ( 0.6962009 -0.3422363 -0.0492944), wk = 0.0029326 k( 201) = ( 0.7025300 -0.3592693 -0.0492944), wk = 0.0029326 k( 202) = ( 0.7088590 -0.3763024 -0.0492944), wk = 0.0029326 k( 203) = ( 0.7151881 -0.3933354 -0.0492944), wk = 0.0029326 k( 204) = ( 0.2848119 -0.7664978 0.0000000), wk = 0.0029326 k( 205) = ( 0.2784828 -0.7494645 -0.0000000), wk = 0.0029326 k( 206) = ( 0.2721536 -0.7324312 0.0000000), wk = 0.0029326 k( 207) = ( 0.2658244 -0.7153979 0.0000000), wk = 0.0029326 k( 208) = ( 0.2594953 -0.6983646 -0.0000000), wk = 0.0029326 k( 209) = ( 0.2531661 -0.6813313 -0.0000000), wk = 0.0029326 k( 210) = ( 0.2468370 -0.6642981 0.0000000), wk = 0.0029326 k( 211) = ( 0.2405078 -0.6472648 0.0000000), wk = 0.0029326 k( 212) = ( 0.2341787 -0.6302315 -0.0000000), wk = 0.0029326 k( 213) = ( 0.2278495 -0.6131982 -0.0000000), wk = 0.0029326 k( 214) = ( 0.2215204 -0.5961649 0.0000000), wk = 0.0029326 k( 215) = ( 0.2151912 -0.5791316 -0.0000000), wk = 0.0029326 k( 216) = ( 0.2088621 -0.5620984 -0.0000000), wk = 0.0029326 k( 217) = ( 0.2025329 -0.5450651 0.0000000), wk = 0.0029326 k( 218) = ( 0.1962038 -0.5280318 0.0000000), wk = 0.0029326 k( 219) = ( 0.1898746 -0.5109985 -0.0000000), wk = 0.0029326 k( 220) = ( 0.1835454 -0.4939652 -0.0000000), wk = 0.0029326 k( 221) = ( 0.1772163 -0.4769319 0.0000000), wk = 0.0029326 k( 222) = ( 0.1708871 -0.4598987 -0.0000000), wk = 0.0029326 k( 223) = ( 0.1645580 -0.4428654 -0.0000000), wk = 0.0029326 k( 224) = ( 0.1582288 -0.4258321 -0.0000000), wk = 0.0029326 k( 225) = ( 0.1518997 -0.4087988 -0.0000000), wk = 0.0029326 k( 226) = ( 0.1455705 -0.3917655 -0.0000000), wk = 0.0029326 k( 227) = ( 0.1392414 -0.3747322 -0.0000000), wk = 0.0029326 k( 228) = ( 0.1329122 -0.3576990 -0.0000000), wk = 0.0029326 k( 229) = ( 0.1265831 -0.3406657 -0.0000000), wk = 0.0029326 k( 230) = ( 0.1202539 -0.3236324 0.0000000), wk = 0.0029326 k( 231) = ( 0.1139248 -0.3065991 0.0000000), wk = 0.0029326 k( 232) = ( 0.1075956 -0.2895658 -0.0000000), wk = 0.0029326 k( 233) = ( 0.1012665 -0.2725325 0.0000000), wk = 0.0029326 k( 234) = ( 0.0949373 -0.2554992 0.0000000), wk = 0.0029326 k( 235) = ( 0.0886081 -0.2384660 0.0000000), wk = 0.0029326 k( 236) = ( 0.0822790 -0.2214327 0.0000000), wk = 0.0029326 k( 237) = ( 0.0759498 -0.2043994 -0.0000000), wk = 0.0029326 k( 238) = ( 0.0696207 -0.1873661 -0.0000000), wk = 0.0029326 k( 239) = ( 0.0632915 -0.1703328 -0.0000000), wk = 0.0029326 k( 240) = ( 0.0569624 -0.1532995 -0.0000000), wk = 0.0029326 k( 241) = ( 0.0506332 -0.1362663 0.0000000), wk = 0.0029326 k( 242) = ( 0.0443041 -0.1192330 -0.0000000), wk = 0.0029326 k( 243) = ( 0.0379749 -0.1021997 -0.0000000), wk = 0.0029326 k( 244) = ( 0.0316458 -0.0851664 -0.0000000), wk = 0.0029326 k( 245) = ( 0.0253166 -0.0681331 -0.0000000), wk = 0.0029326 k( 246) = ( 0.0189875 -0.0510998 -0.0000000), wk = 0.0029326 k( 247) = ( 0.0126583 -0.0340666 -0.0000000), wk = 0.0029326 k( 248) = ( 0.0063292 -0.0170333 -0.0000000), wk = 0.0029326 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 251) = ( 0.0119048 -0.0138075 -0.0005868), wk = 0.0029326 k( 252) = ( 0.0238095 -0.0276151 -0.0011737), wk = 0.0029326 k( 253) = ( 0.0357143 -0.0414226 -0.0017605), wk = 0.0029326 k( 254) = ( 0.0476191 -0.0552302 -0.0023474), wk = 0.0029326 k( 255) = ( 0.0595238 -0.0690377 -0.0029342), wk = 0.0029326 k( 256) = ( 0.0714286 -0.0828452 -0.0035210), wk = 0.0029326 k( 257) = ( 0.0833333 -0.0966528 -0.0041079), wk = 0.0029326 k( 258) = ( 0.0952381 -0.1104603 -0.0046947), wk = 0.0029326 k( 259) = ( 0.1071429 -0.1242678 -0.0052815), wk = 0.0029326 k( 260) = ( 0.1190476 -0.1380754 -0.0058684), wk = 0.0029326 k( 261) = ( 0.1309524 -0.1518829 -0.0064552), wk = 0.0029326 k( 262) = ( 0.1428571 -0.1656904 -0.0070421), wk = 0.0029326 k( 263) = ( 0.1547619 -0.1794980 -0.0076289), wk = 0.0029326 k( 264) = ( 0.1666667 -0.1933055 -0.0082157), wk = 0.0029326 k( 265) = ( 0.1785714 -0.2071131 -0.0088026), wk = 0.0029326 k( 266) = ( 0.1904762 -0.2209206 -0.0093894), wk = 0.0029326 k( 267) = ( 0.2023810 -0.2347281 -0.0099762), wk = 0.0029326 k( 268) = ( 0.2142857 -0.2485357 -0.0105631), wk = 0.0029326 k( 269) = ( 0.2261905 -0.2623432 -0.0111499), wk = 0.0029326 k( 270) = ( 0.2380952 -0.2761508 -0.0117368), wk = 0.0029326 k( 271) = ( 0.2500000 -0.2899583 -0.0123236), wk = 0.0029326 k( 272) = ( 0.2619048 -0.3037658 -0.0129104), wk = 0.0029326 k( 273) = ( 0.2738095 -0.3175734 -0.0134973), wk = 0.0029326 k( 274) = ( 0.2857143 -0.3313809 -0.0140841), wk = 0.0029326 k( 275) = ( 0.2976190 -0.3451884 -0.0146709), wk = 0.0029326 k( 276) = ( 0.3095238 -0.3589960 -0.0152578), wk = 0.0029326 k( 277) = ( 0.3214286 -0.3728035 -0.0158446), wk = 0.0029326 k( 278) = ( 0.3333333 -0.3866110 -0.0164315), wk = 0.0029326 k( 279) = ( 0.3452381 -0.4004186 -0.0170183), wk = 0.0029326 k( 280) = ( 0.3571429 -0.4142261 -0.0176051), wk = 0.0029326 k( 281) = ( 0.3690476 -0.4280337 -0.0181920), wk = 0.0029326 k( 282) = ( 0.3809524 -0.4418412 -0.0187788), wk = 0.0029326 k( 283) = ( 0.3928571 -0.4556487 -0.0193656), wk = 0.0029326 k( 284) = ( 0.4047619 -0.4694563 -0.0199525), wk = 0.0029326 k( 285) = ( 0.4166667 -0.4832638 -0.0205393), wk = 0.0029326 k( 286) = ( 0.4285714 -0.4970714 -0.0211262), wk = 0.0029326 k( 287) = ( 0.4404762 -0.5108789 -0.0217130), wk = 0.0029326 k( 288) = ( 0.4523810 -0.5246864 -0.0222998), wk = 0.0029326 k( 289) = ( 0.4642857 -0.5384940 -0.0228867), wk = 0.0029326 k( 290) = ( 0.4761905 -0.5523015 -0.0234735), wk = 0.0029326 k( 291) = ( 0.4880952 -0.5661090 -0.0240603), wk = 0.0029326 k( 292) = ( 0.5000000 -0.5799166 -0.0246472), wk = 0.0029326 k( 293) = ( 0.5000000 -0.5799166 0.4281163), wk = 0.0029326 k( 294) = ( 0.4895833 -0.5678350 0.4191972), wk = 0.0029326 k( 295) = ( 0.4791667 -0.5557534 0.4102781), wk = 0.0029326 k( 296) = ( 0.4687500 -0.5436718 0.4013590), wk = 0.0029326 k( 297) = ( 0.4583333 -0.5315902 0.3924399), wk = 0.0029326 k( 298) = ( 0.4479167 -0.5195086 0.3835209), wk = 0.0029326 k( 299) = ( 0.4375000 -0.5074270 0.3746018), wk = 0.0029326 k( 300) = ( 0.4270833 -0.4953454 0.3656827), wk = 0.0029326 k( 301) = ( 0.4166667 -0.4832638 0.3567636), wk = 0.0029326 k( 302) = ( 0.4062500 -0.4711822 0.3478445), wk = 0.0029326 k( 303) = ( 0.3958333 -0.4591006 0.3389254), wk = 0.0029326 k( 304) = ( 0.3854167 -0.4470190 0.3300063), wk = 0.0029326 k( 305) = ( 0.3750000 -0.4349374 0.3210872), wk = 0.0029326 k( 306) = ( 0.3645833 -0.4228558 0.3121681), wk = 0.0029326 k( 307) = ( 0.3541667 -0.4107742 0.3032490), wk = 0.0029326 k( 308) = ( 0.3437500 -0.3986926 0.2943300), wk = 0.0029326 k( 309) = ( 0.3333333 -0.3866110 0.2854109), wk = 0.0029326 k( 310) = ( 0.3229167 -0.3745295 0.2764918), wk = 0.0029326 k( 311) = ( 0.3125000 -0.3624479 0.2675727), wk = 0.0029326 k( 312) = ( 0.3020833 -0.3503663 0.2586536), wk = 0.0029326 k( 313) = ( 0.2916667 -0.3382847 0.2497345), wk = 0.0029326 k( 314) = ( 0.2812500 -0.3262031 0.2408154), wk = 0.0029326 k( 315) = ( 0.2708333 -0.3141215 0.2318963), wk = 0.0029326 k( 316) = ( 0.2604167 -0.3020399 0.2229772), wk = 0.0029326 k( 317) = ( 0.2500000 -0.2899583 0.2140581), wk = 0.0029326 k( 318) = ( 0.2395833 -0.2778767 0.2051391), wk = 0.0029326 k( 319) = ( 0.2291667 -0.2657951 0.1962200), wk = 0.0029326 k( 320) = ( 0.2187500 -0.2537135 0.1873009), wk = 0.0029326 k( 321) = ( 0.2083333 -0.2416319 0.1783818), wk = 0.0029326 k( 322) = ( 0.1979167 -0.2295503 0.1694627), wk = 0.0029326 k( 323) = ( 0.1875000 -0.2174687 0.1605436), wk = 0.0029326 k( 324) = ( 0.1770833 -0.2053871 0.1516245), wk = 0.0029326 k( 325) = ( 0.1666667 -0.1933055 0.1427054), wk = 0.0029326 k( 326) = ( 0.1562500 -0.1812239 0.1337863), wk = 0.0029326 k( 327) = ( 0.1458333 -0.1691423 0.1248673), wk = 0.0029326 k( 328) = ( 0.1354167 -0.1570607 0.1159482), wk = 0.0029326 k( 329) = ( 0.1250000 -0.1449791 0.1070291), wk = 0.0029326 k( 330) = ( 0.1145833 -0.1328975 0.0981100), wk = 0.0029326 k( 331) = ( 0.1041667 -0.1208160 0.0891909), wk = 0.0029326 k( 332) = ( 0.0937500 -0.1087344 0.0802718), wk = 0.0029326 k( 333) = ( 0.0833333 -0.0966528 0.0713527), wk = 0.0029326 k( 334) = ( 0.0729167 -0.0845712 0.0624336), wk = 0.0029326 k( 335) = ( 0.0625000 -0.0724896 0.0535145), wk = 0.0029326 k( 336) = ( 0.0520833 -0.0604080 0.0445954), wk = 0.0029326 k( 337) = ( 0.0416667 -0.0483264 0.0356764), wk = 0.0029326 k( 338) = ( 0.0312500 -0.0362448 0.0267573), wk = 0.0029326 k( 339) = ( 0.0208333 -0.0241632 0.0178382), wk = 0.0029326 k( 340) = ( 0.0104167 -0.0120816 0.0089191), wk = 0.0029326 k( 341) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0029326 k( 3) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0029326 k( 4) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0029326 k( 6) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0029326 k( 7) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029326 k( 8) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0029326 k( 9) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0029326 k( 10) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0029326 k( 11) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029326 k( 12) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0029326 k( 13) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 14) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0029326 k( 15) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0029326 k( 16) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029326 k( 17) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0029326 k( 18) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0029326 k( 19) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0029326 k( 20) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0029326 k( 21) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029326 k( 22) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0029326 k( 23) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0029326 k( 24) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0029326 k( 25) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029326 k( 26) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0029326 k( 27) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0029326 k( 28) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0029326 k( 29) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0029326 k( 30) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0029326 k( 31) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 32) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 33) = ( 0.5015887 0.5015887 0.0204258), wk = 0.0029326 k( 34) = ( 0.5031774 0.5031774 0.0408517), wk = 0.0029326 k( 35) = ( 0.5047662 0.5047662 0.0612775), wk = 0.0029326 k( 36) = ( 0.5063549 0.5063549 0.0817033), wk = 0.0029326 k( 37) = ( 0.5079436 0.5079436 0.1021291), wk = 0.0029326 k( 38) = ( 0.5095323 0.5095323 0.1225550), wk = 0.0029326 k( 39) = ( 0.5111210 0.5111210 0.1429808), wk = 0.0029326 k( 40) = ( 0.5127097 0.5127097 0.1634066), wk = 0.0029326 k( 41) = ( 0.5142984 0.5142984 0.1838324), wk = 0.0029326 k( 42) = ( 0.5158872 0.5158872 0.2042582), wk = 0.0029326 k( 43) = ( 0.5174759 0.5174759 0.2246841), wk = 0.0029326 k( 44) = ( 0.5190646 0.5190646 0.2451099), wk = 0.0029326 k( 45) = ( 0.5206533 0.5206533 0.2655357), wk = 0.0029326 k( 46) = ( 0.5222420 0.5222420 0.2859615), wk = 0.0029326 k( 47) = ( 0.5238308 0.5238308 0.3063874), wk = 0.0029326 k( 48) = ( 0.5254195 0.5254195 0.3268132), wk = 0.0029326 k( 49) = ( 0.5270082 0.5270082 0.3472390), wk = 0.0029326 k( 50) = ( 0.5285969 0.5285969 0.3676648), wk = 0.0029326 k( 51) = ( 0.5301856 0.5301856 0.3880907), wk = 0.0029326 k( 52) = ( 0.5317743 0.5317743 0.4085165), wk = 0.0029326 k( 53) = ( 0.5333631 0.5333631 0.4289423), wk = 0.0029326 k( 54) = ( 0.5349518 0.5349518 0.4493681), wk = 0.0029326 k( 55) = ( 0.5349518 0.5349518 0.4493681), wk = 0.0029326 k( 56) = ( 0.5262138 0.5262138 0.4620261), wk = 0.0029326 k( 57) = ( 0.5174759 0.5174759 0.4746841), wk = 0.0029326 k( 58) = ( 0.5087379 0.5087379 0.4873420), wk = 0.0029326 k( 59) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 60) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 61) = ( 0.5063030 0.4936970 0.5000000), wk = 0.0029326 k( 62) = ( 0.5126059 0.4873941 0.5000000), wk = 0.0029326 k( 63) = ( 0.5189089 0.4810911 0.5000000), wk = 0.0029326 k( 64) = ( 0.5252118 0.4747882 0.5000000), wk = 0.0029326 k( 65) = ( 0.5315148 0.4684852 0.5000000), wk = 0.0029326 k( 66) = ( 0.5378177 0.4621823 0.5000000), wk = 0.0029326 k( 67) = ( 0.5441207 0.4558793 0.5000000), wk = 0.0029326 k( 68) = ( 0.5504236 0.4495764 0.5000000), wk = 0.0029326 k( 69) = ( 0.5567266 0.4432734 0.5000000), wk = 0.0029326 k( 70) = ( 0.5630295 0.4369705 0.5000000), wk = 0.0029326 k( 71) = ( 0.5693325 0.4306675 0.5000000), wk = 0.0029326 k( 72) = ( 0.5756355 0.4243645 0.5000000), wk = 0.0029326 k( 73) = ( 0.5819384 0.4180616 0.5000000), wk = 0.0029326 k( 74) = ( 0.5882414 0.4117586 0.5000000), wk = 0.0029326 k( 75) = ( 0.5945443 0.4054557 0.5000000), wk = 0.0029326 k( 76) = ( 0.6008473 0.3991527 0.5000000), wk = 0.0029326 k( 77) = ( 0.6071502 0.3928498 0.5000000), wk = 0.0029326 k( 78) = ( 0.6134532 0.3865468 0.5000000), wk = 0.0029326 k( 79) = ( 0.6197561 0.3802439 0.5000000), wk = 0.0029326 k( 80) = ( 0.6260591 0.3739409 0.5000000), wk = 0.0029326 k( 81) = ( 0.6323621 0.3676379 0.5000000), wk = 0.0029326 k( 82) = ( 0.6386650 0.3613350 0.5000000), wk = 0.0029326 k( 83) = ( 0.6449680 0.3550320 0.5000000), wk = 0.0029326 k( 84) = ( 0.6512709 0.3487291 0.5000000), wk = 0.0029326 k( 85) = ( 0.6575739 0.3424261 0.5000000), wk = 0.0029326 k( 86) = ( 0.6638768 0.3361232 0.5000000), wk = 0.0029326 k( 87) = ( 0.6701798 0.3298202 0.5000000), wk = 0.0029326 k( 88) = ( 0.6764827 0.3235173 0.5000000), wk = 0.0029326 k( 89) = ( 0.6827857 0.3172143 0.5000000), wk = 0.0029326 k( 90) = ( 0.6890886 0.3109114 0.5000000), wk = 0.0029326 k( 91) = ( 0.6953916 0.3046084 0.5000000), wk = 0.0029326 k( 92) = ( 0.7016946 0.2983054 0.5000000), wk = 0.0029326 k( 93) = ( 0.7079975 0.2920025 0.5000000), wk = 0.0029326 k( 94) = ( 0.7143005 0.2856995 0.5000000), wk = 0.0029326 k( 95) = ( 0.7206034 0.2793966 0.5000000), wk = 0.0029326 k( 96) = ( 0.2793966 -0.2793966 0.5000000), wk = 0.0029326 k( 97) = ( 0.2730467 -0.2730467 0.5000000), wk = 0.0029326 k( 98) = ( 0.2666967 -0.2666967 0.5000000), wk = 0.0029326 k( 99) = ( 0.2603468 -0.2603468 0.5000000), wk = 0.0029326 k( 100) = ( 0.2539969 -0.2539969 0.5000000), wk = 0.0029326 k( 101) = ( 0.2476470 -0.2476470 0.5000000), wk = 0.0029326 k( 102) = ( 0.2412971 -0.2412971 0.5000000), wk = 0.0029326 k( 103) = ( 0.2349471 -0.2349471 0.5000000), wk = 0.0029326 k( 104) = ( 0.2285972 -0.2285972 0.5000000), wk = 0.0029326 k( 105) = ( 0.2222473 -0.2222473 0.5000000), wk = 0.0029326 k( 106) = ( 0.2158974 -0.2158974 0.5000000), wk = 0.0029326 k( 107) = ( 0.2095474 -0.2095474 0.5000000), wk = 0.0029326 k( 108) = ( 0.2031975 -0.2031975 0.5000000), wk = 0.0029326 k( 109) = ( 0.1968476 -0.1968476 0.5000000), wk = 0.0029326 k( 110) = ( 0.1904977 -0.1904977 0.5000000), wk = 0.0029326 k( 111) = ( 0.1841477 -0.1841478 0.5000000), wk = 0.0029326 k( 112) = ( 0.1777978 -0.1777978 0.5000000), wk = 0.0029326 k( 113) = ( 0.1714479 -0.1714479 0.5000000), wk = 0.0029326 k( 114) = ( 0.1650980 -0.1650980 0.5000000), wk = 0.0029326 k( 115) = ( 0.1587481 -0.1587481 0.5000000), wk = 0.0029326 k( 116) = ( 0.1523981 -0.1523981 0.5000000), wk = 0.0029326 k( 117) = ( 0.1460482 -0.1460482 0.5000000), wk = 0.0029326 k( 118) = ( 0.1396983 -0.1396983 0.5000000), wk = 0.0029326 k( 119) = ( 0.1333484 -0.1333484 0.5000000), wk = 0.0029326 k( 120) = ( 0.1269985 -0.1269985 0.5000000), wk = 0.0029326 k( 121) = ( 0.1206485 -0.1206485 0.5000000), wk = 0.0029326 k( 122) = ( 0.1142986 -0.1142986 0.5000000), wk = 0.0029326 k( 123) = ( 0.1079487 -0.1079487 0.5000000), wk = 0.0029326 k( 124) = ( 0.1015988 -0.1015988 0.5000000), wk = 0.0029326 k( 125) = ( 0.0952488 -0.0952488 0.5000000), wk = 0.0029326 k( 126) = ( 0.0888989 -0.0888989 0.5000000), wk = 0.0029326 k( 127) = ( 0.0825490 -0.0825490 0.5000000), wk = 0.0029326 k( 128) = ( 0.0761991 -0.0761991 0.5000000), wk = 0.0029326 k( 129) = ( 0.0698491 -0.0698491 0.5000000), wk = 0.0029326 k( 130) = ( 0.0634992 -0.0634992 0.5000000), wk = 0.0029326 k( 131) = ( 0.0571493 -0.0571493 0.5000000), wk = 0.0029326 k( 132) = ( 0.0507994 -0.0507994 0.5000000), wk = 0.0029326 k( 133) = ( 0.0444495 -0.0444495 0.5000000), wk = 0.0029326 k( 134) = ( 0.0380995 -0.0380995 0.5000000), wk = 0.0029326 k( 135) = ( 0.0317496 -0.0317496 0.5000000), wk = 0.0029326 k( 136) = ( 0.0253997 -0.0253997 0.5000000), wk = 0.0029326 k( 137) = ( 0.0190498 -0.0190498 0.5000000), wk = 0.0029326 k( 138) = ( 0.0126998 -0.0126998 0.5000000), wk = 0.0029326 k( 139) = ( 0.0063499 -0.0063499 0.5000000), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 142) = ( 0.0172240 0.0172240 0.5018752), wk = 0.0029326 k( 143) = ( 0.0344480 0.0344480 0.5037505), wk = 0.0029326 k( 144) = ( 0.0516720 0.0516720 0.5056258), wk = 0.0029326 k( 145) = ( 0.0688960 0.0688960 0.5075010), wk = 0.0029326 k( 146) = ( 0.0861200 0.0861200 0.5093763), wk = 0.0029326 k( 147) = ( 0.1033441 0.1033441 0.5112515), wk = 0.0029326 k( 148) = ( 0.1205681 0.1205681 0.5131268), wk = 0.0029326 k( 149) = ( 0.1377921 0.1377921 0.5150020), wk = 0.0029326 k( 150) = ( 0.1550161 0.1550161 0.5168773), wk = 0.0029326 k( 151) = ( 0.1722401 0.1722401 0.5187525), wk = 0.0029326 k( 152) = ( 0.1894641 0.1894641 0.5206278), wk = 0.0029326 k( 153) = ( 0.2066881 0.2066881 0.5225030), wk = 0.0029326 k( 154) = ( 0.2239121 0.2239121 0.5243783), wk = 0.0029326 k( 155) = ( 0.2411361 0.2411361 0.5262536), wk = 0.0029326 k( 156) = ( 0.2583601 0.2583601 0.5281288), wk = 0.0029326 k( 157) = ( 0.2755841 0.2755841 0.5300041), wk = 0.0029326 k( 158) = ( 0.2928081 0.2928081 0.5318793), wk = 0.0029326 k( 159) = ( 0.3100322 0.3100322 0.5337546), wk = 0.0029326 k( 160) = ( 0.3272562 0.3272562 0.5356298), wk = 0.0029326 k( 161) = ( 0.3444802 0.3444802 0.5375051), wk = 0.0029326 k( 162) = ( 0.3617042 0.3617042 0.5393803), wk = 0.0029326 k( 163) = ( 0.3789282 0.3789282 0.5412556), wk = 0.0029326 k( 164) = ( 0.3961522 0.3961522 0.5431309), wk = 0.0029326 k( 165) = ( 0.4133762 0.4133762 0.5450061), wk = 0.0029326 k( 166) = ( 0.4306002 0.4306002 0.5468814), wk = 0.0029326 k( 167) = ( 0.4478242 0.4478242 0.5487566), wk = 0.0029326 k( 168) = ( 0.4650482 0.4650482 0.5506319), wk = 0.0029326 k( 169) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 170) = ( 0.5063291 0.4936709 0.0000000), wk = 0.0029326 k( 171) = ( 0.5126581 0.4873419 0.0000000), wk = 0.0029326 k( 172) = ( 0.5189872 0.4810128 0.0000000), wk = 0.0029326 k( 173) = ( 0.5253163 0.4746838 0.0000000), wk = 0.0029326 k( 174) = ( 0.5316453 0.4683547 0.0000000), wk = 0.0029326 k( 175) = ( 0.5379744 0.4620256 0.0000000), wk = 0.0029326 k( 176) = ( 0.5443034 0.4556966 0.0000000), wk = 0.0029326 k( 177) = ( 0.5506325 0.4493675 -0.0000000), wk = 0.0029326 k( 178) = ( 0.5569616 0.4430384 0.0000000), wk = 0.0029326 k( 179) = ( 0.5632906 0.4367094 0.0000000), wk = 0.0029326 k( 180) = ( 0.5696197 0.4303803 0.0000000), wk = 0.0029326 k( 181) = ( 0.5759487 0.4240513 0.0000000), wk = 0.0029326 k( 182) = ( 0.5822778 0.4177222 -0.0000000), wk = 0.0029326 k( 183) = ( 0.5886069 0.4113931 -0.0000000), wk = 0.0029326 k( 184) = ( 0.5949359 0.4050641 -0.0000000), wk = 0.0029326 k( 185) = ( 0.6012650 0.3987350 0.0000000), wk = 0.0029326 k( 186) = ( 0.6075940 0.3924060 0.0000000), wk = 0.0029326 k( 187) = ( 0.6139231 0.3860769 0.0000000), wk = 0.0029326 k( 188) = ( 0.6202522 0.3797478 0.0000000), wk = 0.0029326 k( 189) = ( 0.6265812 0.3734188 -0.0000000), wk = 0.0029326 k( 190) = ( 0.6329103 0.3670897 0.0000000), wk = 0.0029326 k( 191) = ( 0.6392393 0.3607607 0.0000000), wk = 0.0029326 k( 192) = ( 0.6455684 0.3544316 0.0000000), wk = 0.0029326 k( 193) = ( 0.6518975 0.3481025 0.0000000), wk = 0.0029326 k( 194) = ( 0.6582265 0.3417735 -0.0000000), wk = 0.0029326 k( 195) = ( 0.6645556 0.3354444 0.0000000), wk = 0.0029326 k( 196) = ( 0.6708847 0.3291153 0.0000000), wk = 0.0029326 k( 197) = ( 0.6772137 0.3227863 0.0000000), wk = 0.0029326 k( 198) = ( 0.6835428 0.3164572 -0.0000000), wk = 0.0029326 k( 199) = ( 0.6898718 0.3101282 -0.0000000), wk = 0.0029326 k( 200) = ( 0.6962009 0.3037991 -0.0000000), wk = 0.0029326 k( 201) = ( 0.7025300 0.2974700 -0.0000000), wk = 0.0029326 k( 202) = ( 0.7088590 0.2911410 -0.0000000), wk = 0.0029326 k( 203) = ( 0.7151881 0.2848119 0.0000000), wk = 0.0029326 k( 204) = ( 0.2848119 -0.2848119 0.0000000), wk = 0.0029326 k( 205) = ( 0.2784828 -0.2784828 -0.0000000), wk = 0.0029326 k( 206) = ( 0.2721536 -0.2721536 -0.0000000), wk = 0.0029326 k( 207) = ( 0.2658244 -0.2658245 -0.0000000), wk = 0.0029326 k( 208) = ( 0.2594953 -0.2594953 -0.0000000), wk = 0.0029326 k( 209) = ( 0.2531661 -0.2531661 -0.0000000), wk = 0.0029326 k( 210) = ( 0.2468370 -0.2468370 -0.0000000), wk = 0.0029326 k( 211) = ( 0.2405078 -0.2405078 -0.0000000), wk = 0.0029326 k( 212) = ( 0.2341787 -0.2341787 -0.0000000), wk = 0.0029326 k( 213) = ( 0.2278495 -0.2278495 -0.0000000), wk = 0.0029326 k( 214) = ( 0.2215204 -0.2215204 -0.0000000), wk = 0.0029326 k( 215) = ( 0.2151912 -0.2151912 -0.0000000), wk = 0.0029326 k( 216) = ( 0.2088621 -0.2088621 0.0000000), wk = 0.0029326 k( 217) = ( 0.2025329 -0.2025329 0.0000000), wk = 0.0029326 k( 218) = ( 0.1962038 -0.1962038 -0.0000000), wk = 0.0029326 k( 219) = ( 0.1898746 -0.1898746 -0.0000000), wk = 0.0029326 k( 220) = ( 0.1835454 -0.1835455 -0.0000000), wk = 0.0029326 k( 221) = ( 0.1772163 -0.1772163 -0.0000000), wk = 0.0029326 k( 222) = ( 0.1708871 -0.1708872 -0.0000000), wk = 0.0029326 k( 223) = ( 0.1645580 -0.1645580 -0.0000000), wk = 0.0029326 k( 224) = ( 0.1582288 -0.1582288 -0.0000000), wk = 0.0029326 k( 225) = ( 0.1518997 -0.1518997 -0.0000000), wk = 0.0029326 k( 226) = ( 0.1455705 -0.1455705 -0.0000000), wk = 0.0029326 k( 227) = ( 0.1392414 -0.1392414 -0.0000000), wk = 0.0029326 k( 228) = ( 0.1329122 -0.1329122 -0.0000000), wk = 0.0029326 k( 229) = ( 0.1265831 -0.1265831 -0.0000000), wk = 0.0029326 k( 230) = ( 0.1202539 -0.1202539 -0.0000000), wk = 0.0029326 k( 231) = ( 0.1139248 -0.1139248 -0.0000000), wk = 0.0029326 k( 232) = ( 0.1075956 -0.1075956 -0.0000000), wk = 0.0029326 k( 233) = ( 0.1012665 -0.1012665 0.0000000), wk = 0.0029326 k( 234) = ( 0.0949373 -0.0949373 0.0000000), wk = 0.0029326 k( 235) = ( 0.0886081 -0.0886082 -0.0000000), wk = 0.0029326 k( 236) = ( 0.0822790 -0.0822790 -0.0000000), wk = 0.0029326 k( 237) = ( 0.0759498 -0.0759498 -0.0000000), wk = 0.0029326 k( 238) = ( 0.0696207 -0.0696207 -0.0000000), wk = 0.0029326 k( 239) = ( 0.0632915 -0.0632915 -0.0000000), wk = 0.0029326 k( 240) = ( 0.0569624 -0.0569624 -0.0000000), wk = 0.0029326 k( 241) = ( 0.0506332 -0.0506332 0.0000000), wk = 0.0029326 k( 242) = ( 0.0443041 -0.0443041 -0.0000000), wk = 0.0029326 k( 243) = ( 0.0379749 -0.0379749 -0.0000000), wk = 0.0029326 k( 244) = ( 0.0316458 -0.0316458 -0.0000000), wk = 0.0029326 k( 245) = ( 0.0253166 -0.0253166 -0.0000000), wk = 0.0029326 k( 246) = ( 0.0189875 -0.0189875 -0.0000000), wk = 0.0029326 k( 247) = ( 0.0126583 -0.0126583 -0.0000000), wk = 0.0029326 k( 248) = ( 0.0063292 -0.0063292 -0.0000000), wk = 0.0029326 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 251) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0029326 k( 252) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0029326 k( 253) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0029326 k( 254) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0029326 k( 255) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0029326 k( 256) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0029326 k( 257) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0029326 k( 258) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0029326 k( 259) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0029326 k( 260) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0029326 k( 261) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0029326 k( 262) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0029326 k( 263) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0029326 k( 264) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0029326 k( 265) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0029326 k( 266) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0029326 k( 267) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0029326 k( 268) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0029326 k( 269) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0029326 k( 270) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0029326 k( 271) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0029326 k( 272) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0029326 k( 273) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0029326 k( 274) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0029326 k( 275) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0029326 k( 276) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0029326 k( 277) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0029326 k( 278) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0029326 k( 279) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0029326 k( 280) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0029326 k( 281) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0029326 k( 282) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0029326 k( 283) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0029326 k( 284) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0029326 k( 285) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0029326 k( 286) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0029326 k( 287) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0029326 k( 288) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0029326 k( 289) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0029326 k( 290) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0029326 k( 291) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0029326 k( 292) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0029326 k( 293) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029326 k( 294) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0029326 k( 295) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0029326 k( 296) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0029326 k( 297) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0029326 k( 298) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0029326 k( 299) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0029326 k( 300) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0029326 k( 301) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0029326 k( 302) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0029326 k( 303) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0029326 k( 304) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0029326 k( 305) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0029326 k( 306) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0029326 k( 307) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0029326 k( 308) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0029326 k( 309) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029326 k( 310) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0029326 k( 311) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0029326 k( 312) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0029326 k( 313) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0029326 k( 314) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0029326 k( 315) = ( 0.2708333 -0.0000000 0.2708333), wk = 0.0029326 k( 316) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0029326 k( 317) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0029326 k( 318) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0029326 k( 319) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0029326 k( 320) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0029326 k( 321) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0029326 k( 322) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0029326 k( 323) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0029326 k( 324) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0029326 k( 325) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029326 k( 326) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0029326 k( 327) = ( 0.1458333 -0.0000000 0.1458333), wk = 0.0029326 k( 328) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0029326 k( 329) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0029326 k( 330) = ( 0.1145833 -0.0000000 0.1145833), wk = 0.0029326 k( 331) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0029326 k( 332) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0029326 k( 333) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0029326 k( 334) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0029326 k( 335) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0029326 k( 336) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0029326 k( 337) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0029326 k( 338) = ( 0.0312500 -0.0000000 0.0312500), wk = 0.0029326 k( 339) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0029326 k( 340) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0029326 k( 341) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 Dense grid: 136289 G-vectors FFT dimensions: ( 72, 72, 80) Smooth grid: 37491 G-vectors FFT dimensions: ( 48, 48, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 264, 50) NL pseudopotentials 0.32 Mb ( 132, 158) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 3785) G-vector shells 0.03 Mb ( 3635) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 264, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.24 Mb ( 158, 2, 50) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HgC2xSNx2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.6 secs Computing kpt #: 8 total cpu time spent up to now is 10.3 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.2 secs Computing kpt #: 18 total cpu time spent up to now is 16.8 secs Computing kpt #: 19 total cpu time spent up to now is 17.5 secs Computing kpt #: 20 total cpu time spent up to now is 18.2 secs Computing kpt #: 21 total cpu time spent up to now is 18.9 secs Computing kpt #: 22 total cpu time spent up to now is 19.6 secs Computing kpt #: 23 total cpu time spent up to now is 20.2 secs Computing kpt #: 24 total cpu time spent up to now is 20.9 secs Computing kpt #: 25 total cpu time spent up to now is 21.5 secs Computing kpt #: 26 total cpu time spent up to now is 22.2 secs Computing kpt #: 27 total cpu time spent up to now is 22.8 secs Computing kpt #: 28 total cpu time spent up to now is 23.5 secs Computing kpt #: 29 total cpu time spent up to now is 24.2 secs Computing kpt #: 30 total cpu time spent up to now is 24.8 secs Computing kpt #: 31 total cpu time spent up to now is 25.5 secs Computing kpt #: 32 total cpu time spent up to now is 26.1 secs Computing kpt #: 33 total cpu time spent up to now is 26.8 secs Computing kpt #: 34 total cpu time spent up to now is 27.4 secs Computing kpt #: 35 total cpu time spent up to now is 28.0 secs Computing kpt #: 36 total cpu time spent up to now is 28.7 secs Computing kpt #: 37 total cpu time spent up to now is 29.3 secs Computing kpt #: 38 total cpu time spent up to now is 29.9 secs Computing kpt #: 39 total cpu time spent up to now is 30.5 secs Computing kpt #: 40 total cpu time spent up to now is 31.1 secs Computing kpt #: 41 total cpu time spent up to now is 31.7 secs Computing kpt #: 42 total cpu time spent up to now is 32.4 secs Computing kpt #: 43 total cpu time spent up to now is 33.0 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.2 secs Computing kpt #: 46 total cpu time spent up to now is 34.9 secs Computing kpt #: 47 total cpu time spent up to now is 35.5 secs Computing kpt #: 48 total cpu time spent up to now is 36.2 secs Computing kpt #: 49 total cpu time spent up to now is 36.8 secs Computing kpt #: 50 total cpu time spent up to now is 37.5 secs Computing kpt #: 51 total cpu time spent up to now is 38.1 secs Computing kpt #: 52 total cpu time spent up to now is 38.8 secs Computing kpt #: 53 total cpu time spent up to now is 39.4 secs Computing kpt #: 54 total cpu time spent up to now is 40.1 secs Computing kpt #: 55 total cpu time spent up to now is 40.8 secs Computing kpt #: 56 total cpu time spent up to now is 41.5 secs Computing kpt #: 57 total cpu time spent up to now is 42.2 secs Computing kpt #: 58 total cpu time spent up to now is 42.9 secs Computing kpt #: 59 total cpu time spent up to now is 43.6 secs Computing kpt #: 60 total cpu time spent up to now is 44.2 secs Computing kpt #: 61 total cpu time spent up to now is 44.9 secs Computing kpt #: 62 total cpu time spent up to now is 45.7 secs Computing kpt #: 63 total cpu time spent up to now is 46.4 secs Computing kpt #: 64 total cpu time spent up to now is 47.1 secs Computing kpt #: 65 total cpu time spent up to now is 47.8 secs Computing kpt #: 66 total cpu time spent up to now is 48.5 secs Computing kpt #: 67 total cpu time spent up to now is 49.3 secs Computing kpt #: 68 total cpu time spent up to now is 50.0 secs Computing kpt #: 69 total cpu time spent up to now is 50.7 secs Computing kpt #: 70 total cpu time spent up to now is 51.4 secs Computing kpt #: 71 total cpu time spent up to now is 52.1 secs Computing kpt #: 72 total cpu time spent up to now is 52.8 secs Computing kpt #: 73 total cpu time spent up to now is 53.4 secs Computing kpt #: 74 total cpu time spent up to now is 54.1 secs Computing kpt #: 75 total cpu time spent up to now is 54.8 secs Computing kpt #: 76 total cpu time spent up to now is 55.4 secs Computing kpt #: 77 total cpu time spent up to now is 56.1 secs Computing kpt #: 78 total cpu time spent up to now is 56.8 secs Computing kpt #: 79 total cpu time spent up to now is 57.4 secs Computing kpt #: 80 total cpu time spent up to now is 58.0 secs Computing kpt #: 81 total cpu time spent up to now is 58.7 secs Computing kpt #: 82 total cpu time spent up to now is 59.3 secs Computing kpt #: 83 total cpu time spent up to now is 60.0 secs Computing kpt #: 84 total cpu time spent up to now is 60.6 secs Computing kpt #: 85 total cpu time spent up to now is 61.3 secs Computing kpt #: 86 total cpu time spent up to now is 61.9 secs Computing kpt #: 87 total cpu time spent up to now is 62.5 secs Computing kpt #: 88 total cpu time spent up to now is 63.1 secs Computing kpt #: 89 total cpu time spent up to now is 63.7 secs Computing kpt #: 90 total cpu time spent up to now is 64.3 secs Computing kpt #: 91 total cpu time spent up to now is 64.9 secs Computing kpt #: 92 total cpu time spent up to now is 65.6 secs Computing kpt #: 93 total cpu time spent up to now is 66.2 secs Computing kpt #: 94 total cpu time spent up to now is 66.8 secs Computing kpt #: 95 total cpu time spent up to now is 67.4 secs Computing kpt #: 96 total cpu time spent up to now is 68.0 secs Computing kpt #: 97 total cpu time spent up to now is 68.6 secs Computing kpt #: 98 total cpu time spent up to now is 69.2 secs Computing kpt #: 99 total cpu time spent up to now is 69.8 secs Computing kpt #: 100 total cpu time spent up to now is 70.4 secs Computing kpt #: 101 total cpu time spent up to now is 71.0 secs Computing kpt #: 102 total cpu time spent up to now is 71.6 secs Computing kpt #: 103 total cpu time spent up to now is 72.2 secs Computing kpt #: 104 total cpu time spent up to now is 74.1 secs Computing kpt #: 105 total cpu time spent up to now is 74.6 secs Computing kpt #: 106 total cpu time spent up to now is 75.2 secs Computing kpt #: 107 total cpu time spent up to now is 75.8 secs Computing kpt #: 108 total cpu time spent up to now is 76.5 secs Computing kpt #: 109 total cpu time spent up to now is 77.0 secs Computing kpt #: 110 total cpu time spent up to now is 77.6 secs Computing kpt #: 111 total cpu time spent up to now is 78.2 secs Computing kpt #: 112 total cpu time spent up to now is 78.8 secs Computing kpt #: 113 total cpu time spent up to now is 79.4 secs Computing kpt #: 114 total cpu time spent up to now is 80.0 secs Computing kpt #: 115 total cpu time spent up to now is 80.6 secs Computing kpt #: 116 total cpu time spent up to now is 81.2 secs Computing kpt #: 117 total cpu time spent up to now is 81.8 secs Computing kpt #: 118 total cpu time spent up to now is 82.4 secs Computing kpt #: 119 total cpu time spent up to now is 83.0 secs Computing kpt #: 120 total cpu time spent up to now is 83.6 secs Computing kpt #: 121 total cpu time spent up to now is 84.2 secs Computing kpt #: 122 total cpu time spent up to now is 84.7 secs Computing kpt #: 123 total cpu time spent up to now is 85.3 secs Computing kpt #: 124 total cpu time spent up to now is 85.9 secs Computing kpt #: 125 total cpu time spent up to now is 86.5 secs Computing kpt #: 126 total cpu time spent up to now is 87.1 secs Computing kpt #: 127 total cpu time spent up to now is 87.7 secs Computing kpt #: 128 total cpu time spent up to now is 88.3 secs Computing kpt #: 129 total cpu time spent up to now is 88.9 secs Computing kpt #: 130 total cpu time spent up to now is 89.6 secs Computing kpt #: 131 total cpu time spent up to now is 90.2 secs Computing kpt #: 132 total cpu time spent up to now is 90.9 secs Computing kpt #: 133 total cpu time spent up to now is 91.5 secs Computing kpt #: 134 total cpu time spent up to now is 92.2 secs Computing kpt #: 135 total cpu time spent up to now is 92.8 secs Computing kpt #: 136 total cpu time spent up to now is 93.5 secs Computing kpt #: 137 total cpu time spent up to now is 94.1 secs Computing kpt #: 138 total cpu time spent up to now is 94.8 secs Computing kpt #: 139 total cpu time spent up to now is 95.4 secs Computing kpt #: 140 total cpu time spent up to now is 96.0 secs Computing kpt #: 141 total cpu time spent up to now is 96.6 secs Computing kpt #: 142 total cpu time spent up to now is 97.3 secs Computing kpt #: 143 total cpu time spent up to now is 97.9 secs Computing kpt #: 144 total cpu time spent up to now is 98.5 secs Computing kpt #: 145 total cpu time spent up to now is 99.2 secs Computing kpt #: 146 total cpu time spent up to now is 99.8 secs Computing kpt #: 147 total cpu time spent up to now is 100.5 secs Computing kpt #: 148 total cpu time spent up to now is 101.1 secs Computing kpt #: 149 total cpu time spent up to now is 101.8 secs Computing kpt #: 150 total cpu time spent up to now is 102.5 secs Computing kpt #: 151 total cpu time spent up to now is 103.2 secs Computing kpt #: 152 total cpu time spent up to now is 103.9 secs Computing kpt #: 153 total cpu time spent up to now is 104.6 secs Computing kpt #: 154 total cpu time spent up to now is 105.3 secs Computing kpt #: 155 total cpu time spent up to now is 106.0 secs Computing kpt #: 156 total cpu time spent up to now is 106.7 secs Computing kpt #: 157 total cpu time spent up to now is 107.4 secs Computing kpt #: 158 total cpu time spent up to now is 109.1 secs Computing kpt #: 159 total cpu time spent up to now is 109.8 secs Computing kpt #: 160 total cpu time spent up to now is 110.4 secs Computing kpt #: 161 total cpu time spent up to now is 111.1 secs Computing kpt #: 162 total cpu time spent up to now is 111.8 secs Computing kpt #: 163 total cpu time spent up to now is 112.5 secs Computing kpt #: 164 total cpu time spent up to now is 113.1 secs Computing kpt #: 165 total cpu time spent up to now is 113.9 secs Computing kpt #: 166 total cpu time spent up to now is 114.7 secs Computing kpt #: 167 total cpu time spent up to now is 115.4 secs Computing kpt #: 168 total cpu time spent up to now is 116.1 secs Computing kpt #: 169 total cpu time spent up to now is 116.7 secs Computing kpt #: 170 total cpu time spent up to now is 117.4 secs Computing kpt #: 171 total cpu time spent up to now is 118.0 secs Computing kpt #: 172 total cpu time spent up to now is 118.7 secs Computing kpt #: 173 total cpu time spent up to now is 119.4 secs Computing kpt #: 174 total cpu time spent up to now is 120.1 secs Computing kpt #: 175 total cpu time spent up to now is 120.7 secs Computing kpt #: 176 total cpu time spent up to now is 121.4 secs Computing kpt #: 177 total cpu time spent up to now is 122.1 secs Computing kpt #: 178 total cpu time spent up to now is 122.8 secs Computing kpt #: 179 total cpu time spent up to now is 123.5 secs Computing kpt #: 180 total cpu time spent up to now is 124.2 secs Computing kpt #: 181 total cpu time spent up to now is 124.9 secs Computing kpt #: 182 total cpu time spent up to now is 125.6 secs Computing kpt #: 183 total cpu time spent up to now is 126.2 secs Computing kpt #: 184 total cpu time spent up to now is 126.9 secs Computing kpt #: 185 total cpu time spent up to now is 127.6 secs Computing kpt #: 186 total cpu time spent up to now is 128.3 secs Computing kpt #: 187 total cpu time spent up to now is 128.9 secs Computing kpt #: 188 total cpu time spent up to now is 129.5 secs Computing kpt #: 189 total cpu time spent up to now is 130.2 secs Computing kpt #: 190 total cpu time spent up to now is 130.8 secs Computing kpt #: 191 total cpu time spent up to now is 131.5 secs Computing kpt #: 192 total cpu time spent up to now is 132.1 secs Computing kpt #: 193 total cpu time spent up to now is 132.7 secs Computing kpt #: 194 total cpu time spent up to now is 133.3 secs Computing kpt #: 195 total cpu time spent up to now is 134.0 secs Computing kpt #: 196 total cpu time spent up to now is 134.6 secs Computing kpt #: 197 total cpu time spent up to now is 135.2 secs Computing kpt #: 198 total cpu time spent up to now is 135.8 secs Computing kpt #: 199 total cpu time spent up to now is 136.5 secs Computing kpt #: 200 total cpu time spent up to now is 137.1 secs Computing kpt #: 201 total cpu time spent up to now is 137.7 secs Computing kpt #: 202 total cpu time spent up to now is 138.4 secs Computing kpt #: 203 total cpu time spent up to now is 139.0 secs Computing kpt #: 204 total cpu time spent up to now is 139.6 secs Computing kpt #: 205 total cpu time spent up to now is 140.2 secs Computing kpt #: 206 total cpu time spent up to now is 140.8 secs Computing kpt #: 207 total cpu time spent up to now is 141.4 secs Computing kpt #: 208 total cpu time spent up to now is 142.0 secs Computing kpt #: 209 total cpu time spent up to now is 142.6 secs Computing kpt #: 210 total cpu time spent up to now is 143.2 secs Computing kpt #: 211 total cpu time spent up to now is 143.8 secs Computing kpt #: 212 total cpu time spent up to now is 144.4 secs Computing kpt #: 213 total cpu time spent up to now is 145.0 secs Computing kpt #: 214 total cpu time spent up to now is 145.6 secs Computing kpt #: 215 total cpu time spent up to now is 146.2 secs Computing kpt #: 216 total cpu time spent up to now is 146.7 secs Computing kpt #: 217 total cpu time spent up to now is 147.3 secs Computing kpt #: 218 total cpu time spent up to now is 147.9 secs Computing kpt #: 219 total cpu time spent up to now is 148.5 secs Computing kpt #: 220 total cpu time spent up to now is 149.1 secs Computing kpt #: 221 total cpu time spent up to now is 149.7 secs Computing kpt #: 222 total cpu time spent up to now is 150.2 secs Computing kpt #: 223 total cpu time spent up to now is 150.8 secs Computing kpt #: 224 total cpu time spent up to now is 151.4 secs Computing kpt #: 225 total cpu time spent up to now is 152.0 secs Computing kpt #: 226 total cpu time spent up to now is 152.7 secs Computing kpt #: 227 total cpu time spent up to now is 153.4 secs Computing kpt #: 228 total cpu time spent up to now is 154.0 secs Computing kpt #: 229 total cpu time spent up to now is 154.7 secs Computing kpt #: 230 total cpu time spent up to now is 155.4 secs Computing kpt #: 231 total cpu time spent up to now is 156.0 secs Computing kpt #: 232 total cpu time spent up to now is 156.7 secs Computing kpt #: 233 total cpu time spent up to now is 157.4 secs Computing kpt #: 234 total cpu time spent up to now is 158.2 secs Computing kpt #: 235 total cpu time spent up to now is 158.9 secs Computing kpt #: 236 total cpu time spent up to now is 159.5 secs Computing kpt #: 237 total cpu time spent up to now is 160.2 secs Computing kpt #: 238 total cpu time spent up to now is 160.9 secs Computing kpt #: 239 total cpu time spent up to now is 161.6 secs Computing kpt #: 240 total cpu time spent up to now is 162.2 secs Computing kpt #: 241 total cpu time spent up to now is 162.9 secs Computing kpt #: 242 total cpu time spent up to now is 163.5 secs Computing kpt #: 243 total cpu time spent up to now is 164.2 secs Computing kpt #: 244 total cpu time spent up to now is 164.8 secs Computing kpt #: 245 total cpu time spent up to now is 165.5 secs Computing kpt #: 246 total cpu time spent up to now is 166.0 secs Computing kpt #: 247 total cpu time spent up to now is 166.7 secs Computing kpt #: 248 total cpu time spent up to now is 167.3 secs Computing kpt #: 249 total cpu time spent up to now is 167.9 secs Computing kpt #: 250 total cpu time spent up to now is 168.6 secs Computing kpt #: 251 total cpu time spent up to now is 169.1 secs Computing kpt #: 252 total cpu time spent up to now is 169.8 secs Computing kpt #: 253 total cpu time spent up to now is 170.4 secs Computing kpt #: 254 total cpu time spent up to now is 171.1 secs Computing kpt #: 255 total cpu time spent up to now is 171.7 secs Computing kpt #: 256 total cpu time spent up to now is 172.4 secs Computing kpt #: 257 total cpu time spent up to now is 173.0 secs Computing kpt #: 258 total cpu time spent up to now is 173.7 secs Computing kpt #: 259 total cpu time spent up to now is 174.3 secs Computing kpt #: 260 total cpu time spent up to now is 175.0 secs Computing kpt #: 261 total cpu time spent up to now is 175.7 secs Computing kpt #: 262 total cpu time spent up to now is 176.3 secs Computing kpt #: 263 total cpu time spent up to now is 177.0 secs Computing kpt #: 264 total cpu time spent up to now is 177.7 secs Computing kpt #: 265 total cpu time spent up to now is 178.4 secs Computing kpt #: 266 total cpu time spent up to now is 179.0 secs Computing kpt #: 267 total cpu time spent up to now is 179.7 secs Computing kpt #: 268 total cpu time spent up to now is 180.4 secs Computing kpt #: 269 total cpu time spent up to now is 181.1 secs Computing kpt #: 270 total cpu time spent up to now is 181.8 secs Computing kpt #: 271 total cpu time spent up to now is 182.4 secs Computing kpt #: 272 total cpu time spent up to now is 183.1 secs Computing kpt #: 273 total cpu time spent up to now is 183.8 secs Computing kpt #: 274 total cpu time spent up to now is 184.5 secs Computing kpt #: 275 total cpu time spent up to now is 185.1 secs Computing kpt #: 276 total cpu time spent up to now is 185.8 secs Computing kpt #: 277 total cpu time spent up to now is 186.5 secs Computing kpt #: 278 total cpu time spent up to now is 187.2 secs Computing kpt #: 279 total cpu time spent up to now is 187.8 secs Computing kpt #: 280 total cpu time spent up to now is 188.5 secs Computing kpt #: 281 total cpu time spent up to now is 189.1 secs Computing kpt #: 282 total cpu time spent up to now is 189.8 secs Computing kpt #: 283 total cpu time spent up to now is 190.5 secs Computing kpt #: 284 total cpu time spent up to now is 191.2 secs Computing kpt #: 285 total cpu time spent up to now is 191.8 secs Computing kpt #: 286 total cpu time spent up to now is 192.5 secs Computing kpt #: 287 total cpu time spent up to now is 193.1 secs Computing kpt #: 288 total cpu time spent up to now is 193.8 secs Computing kpt #: 289 total cpu time spent up to now is 194.5 secs Computing kpt #: 290 total cpu time spent up to now is 195.1 secs Computing kpt #: 291 total cpu time spent up to now is 195.8 secs Computing kpt #: 292 total cpu time spent up to now is 196.5 secs Computing kpt #: 293 total cpu time spent up to now is 197.1 secs Computing kpt #: 294 total cpu time spent up to now is 197.8 secs Computing kpt #: 295 total cpu time spent up to now is 198.4 secs Computing kpt #: 296 total cpu time spent up to now is 199.1 secs Computing kpt #: 297 total cpu time spent up to now is 199.8 secs Computing kpt #: 298 total cpu time spent up to now is 200.4 secs Computing kpt #: 299 total cpu time spent up to now is 201.1 secs Computing kpt #: 300 total cpu time spent up to now is 201.8 secs Computing kpt #: 301 total cpu time spent up to now is 202.4 secs Computing kpt #: 302 total cpu time spent up to now is 203.1 secs Computing kpt #: 303 total cpu time spent up to now is 203.8 secs Computing kpt #: 304 total cpu time spent up to now is 204.4 secs Computing kpt #: 305 total cpu time spent up to now is 205.1 secs Computing kpt #: 306 total cpu time spent up to now is 205.7 secs Computing kpt #: 307 total cpu time spent up to now is 206.4 secs Computing kpt #: 308 total cpu time spent up to now is 207.1 secs Computing kpt #: 309 total cpu time spent up to now is 207.7 secs Computing kpt #: 310 total cpu time spent up to now is 208.3 secs Computing kpt #: 311 total cpu time spent up to now is 208.9 secs Computing kpt #: 312 total cpu time spent up to now is 209.5 secs Computing kpt #: 313 total cpu time spent up to now is 210.1 secs Computing kpt #: 314 total cpu time spent up to now is 210.7 secs Computing kpt #: 315 total cpu time spent up to now is 211.3 secs Computing kpt #: 316 total cpu time spent up to now is 212.0 secs Computing kpt #: 317 total cpu time spent up to now is 212.7 secs Computing kpt #: 318 total cpu time spent up to now is 213.4 secs Computing kpt #: 319 total cpu time spent up to now is 214.0 secs Computing kpt #: 320 total cpu time spent up to now is 214.7 secs Computing kpt #: 321 total cpu time spent up to now is 215.4 secs Computing kpt #: 322 total cpu time spent up to now is 216.1 secs Computing kpt #: 323 total cpu time spent up to now is 216.7 secs Computing kpt #: 324 total cpu time spent up to now is 217.4 secs Computing kpt #: 325 total cpu time spent up to now is 218.1 secs Computing kpt #: 326 total cpu time spent up to now is 218.7 secs Computing kpt #: 327 total cpu time spent up to now is 219.4 secs Computing kpt #: 328 total cpu time spent up to now is 220.0 secs Computing kpt #: 329 total cpu time spent up to now is 220.7 secs Computing kpt #: 330 total cpu time spent up to now is 221.3 secs Computing kpt #: 331 total cpu time spent up to now is 222.0 secs Computing kpt #: 332 total cpu time spent up to now is 222.6 secs Computing kpt #: 333 total cpu time spent up to now is 223.3 secs Computing kpt #: 334 total cpu time spent up to now is 224.0 secs Computing kpt #: 335 total cpu time spent up to now is 224.6 secs Computing kpt #: 336 total cpu time spent up to now is 225.3 secs Computing kpt #: 337 total cpu time spent up to now is 225.8 secs Computing kpt #: 338 total cpu time spent up to now is 226.4 secs Computing kpt #: 339 total cpu time spent up to now is 227.0 secs Computing kpt #: 340 total cpu time spent up to now is 227.6 secs Computing kpt #: 341 total cpu time spent up to now is 228.1 secs ethr = 2.38E-08, avg # of iterations = 21.7 total cpu time spent up to now is 228.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -14.7266 -14.7266 -14.5187 -14.5187 -11.6310 -11.6310 -11.3961 -11.3961 -5.5230 -5.5230 -4.3093 -4.3093 -4.0335 -4.0335 -3.9145 -3.9145 -3.1549 -3.1549 -2.7677 -2.7677 -2.2657 -2.2657 -1.9068 -1.9068 -1.1566 -1.1566 -0.8735 -0.8735 -0.7639 -0.7639 -0.7267 -0.7267 -0.4938 -0.4938 0.6916 0.6916 1.5476 1.5476 1.7403 1.7403 2.4580 2.4580 4.8383 4.8383 6.7301 6.7301 7.1806 7.1806 7.9369 7.9369 k = 0.0167 0.0062-0.0016 ( 4673 PWs) bands (ev): -14.7265 -14.7265 -14.5188 -14.5188 -11.6311 -11.6311 -11.3964 -11.3964 -5.5227 -5.5227 -4.3089 -4.3089 -4.0340 -4.0340 -3.9135 -3.9135 -3.1536 -3.1536 -2.7672 -2.7672 -2.2656 -2.2656 -1.9076 -1.9076 -1.1596 -1.1596 -0.8752 -0.8752 -0.7634 -0.7634 -0.7284 -0.7284 -0.4939 -0.4939 0.6941 0.6941 1.5475 1.5475 1.7423 1.7423 2.4577 2.4577 4.8400 4.8400 6.7276 6.7276 7.1855 7.1855 7.9368 7.9368 k = 0.0333 0.0124-0.0033 ( 4678 PWs) bands (ev): -14.7262 -14.7262 -14.5187 -14.5187 -11.6314 -11.6314 -11.3970 -11.3970 -5.5217 -5.5217 -4.3078 -4.3078 -4.0354 -4.0354 -3.9104 -3.9104 -3.1500 -3.1500 -2.7655 -2.7655 -2.2655 -2.2655 -1.9101 -1.9101 -1.1686 -1.1686 -0.8803 -0.8803 -0.7621 -0.7621 -0.7331 -0.7331 -0.4941 -0.4941 0.7017 0.7017 1.5472 1.5472 1.7484 1.7484 2.4571 2.4571 4.8450 4.8450 6.7207 6.7207 7.1996 7.1996 7.9364 7.9364 k = 0.0500 0.0186-0.0049 ( 4681 PWs) bands (ev): -14.7257 -14.7257 -14.5187 -14.5187 -11.6320 -11.6320 -11.3982 -11.3982 -5.5200 -5.5200 -4.3059 -4.3059 -4.0375 -4.0375 -3.9057 -3.9057 -3.1440 -3.1440 -2.7628 -2.7628 -2.2651 -2.2651 -1.9143 -1.9143 -1.1834 -1.1834 -0.8885 -0.8885 -0.7618 -0.7618 -0.7394 -0.7394 -0.4941 -0.4941 0.7139 0.7139 1.5467 1.5467 1.7586 1.7586 2.4560 2.4560 4.8533 4.8533 6.7104 6.7104 7.2220 7.2220 7.9358 7.9358 k = 0.0667 0.0248-0.0066 ( 4677 PWs) bands (ev): -14.7250 -14.7250 -14.5187 -14.5187 -11.6327 -11.6327 -11.3998 -11.3998 -5.5178 -5.5178 -4.3032 -4.3032 -4.0398 -4.0398 -3.8995 -3.8995 -3.1358 -3.1358 -2.7590 -2.7590 -2.2647 -2.2647 -1.9201 -1.9201 -1.2039 -1.2039 -0.8994 -0.8994 -0.7675 -0.7675 -0.7423 -0.7423 -0.4937 -0.4937 0.7302 0.7302 1.5459 1.5459 1.7726 1.7726 2.4544 2.4544 4.8650 4.8650 6.6981 6.6981 7.2510 7.2510 7.9349 7.9349 k = 0.0833 0.0310-0.0082 ( 4678 PWs) bands (ev): -14.7242 -14.7242 -14.5187 -14.5187 -11.6337 -11.6337 -11.4017 -11.4017 -5.5151 -5.5151 -4.2998 -4.2998 -4.0420 -4.0420 -3.8922 -3.8922 -3.1255 -3.1255 -2.7542 -2.7542 -2.2641 -2.2641 -1.9274 -1.9274 -1.2299 -1.2299 -0.9128 -0.9128 -0.7813 -0.7813 -0.7396 -0.7396 -0.4924 -0.4924 0.7501 0.7501 1.5448 1.5448 1.7902 1.7902 2.4525 2.4525 4.8800 4.8800 6.6853 6.6853 7.2853 7.2853 7.9334 7.9334 k = 0.1000 0.0372-0.0099 ( 4680 PWs) bands (ev): -14.7231 -14.7231 -14.5186 -14.5186 -11.6349 -11.6349 -11.4041 -11.4041 -5.5119 -5.5119 -4.2956 -4.2956 -4.0436 -4.0436 -3.8842 -3.8842 -3.1133 -3.1133 -2.7482 -2.7482 -2.2634 -2.2634 -1.9362 -1.9362 -1.2611 -1.2611 -0.9284 -0.9284 -0.8002 -0.8002 -0.7344 -0.7344 -0.4901 -0.4901 0.7728 0.7728 1.5433 1.5433 1.8113 1.8113 2.4503 2.4503 4.8986 4.8986 6.6730 6.6730 7.3235 7.3235 7.9313 7.9313 k = 0.1167 0.0434-0.0115 ( 4676 PWs) bands (ev): -14.7219 -14.7219 -14.5186 -14.5186 -11.6363 -11.6363 -11.4068 -11.4068 -5.5083 -5.5083 -4.2906 -4.2906 -4.0444 -4.0444 -3.8755 -3.8755 -3.0994 -3.0994 -2.7411 -2.7411 -2.2625 -2.2625 -1.9465 -1.9465 -1.2971 -1.2971 -0.9460 -0.9460 -0.8224 -0.8224 -0.7279 -0.7279 -0.4867 -0.4867 0.7975 0.7975 1.5414 1.5414 1.8355 1.8355 2.4477 2.4477 4.9206 4.9206 6.6622 6.6622 7.3646 7.3646 7.9283 7.9283 k = 0.1333 0.0495-0.0131 ( 4678 PWs) bands (ev): -14.7205 -14.7205 -14.5185 -14.5185 -11.6379 -11.6379 -11.4097 -11.4097 -5.5045 -5.5045 -4.2849 -4.2849 -4.0440 -4.0440 -3.8664 -3.8664 -3.0841 -3.0841 -2.7330 -2.7330 -2.2614 -2.2614 -1.9581 -1.9581 -1.3374 -1.3374 -0.9654 -0.9654 -0.8470 -0.8470 -0.7207 -0.7207 -0.4821 -0.4821 0.8237 0.8237 1.5390 1.5390 1.8625 1.8625 2.4449 2.4449 4.9461 4.9461 6.6535 6.6535 7.4077 7.4077 7.9239 7.9239 k = 0.1500 0.0557-0.0148 ( 4680 PWs) bands (ev): -14.7190 -14.7190 -14.5184 -14.5184 -11.6398 -11.6398 -11.4130 -11.4130 -5.5005 -5.5005 -4.2785 -4.2785 -4.0424 -4.0424 -3.8570 -3.8570 -3.0675 -3.0675 -2.7240 -2.7240 -2.2602 -2.2602 -1.9709 -1.9709 -1.3816 -1.3816 -0.9864 -0.9864 -0.8735 -0.8735 -0.7129 -0.7129 -0.4765 -0.4765 0.8507 0.8507 1.5361 1.5361 1.8920 1.8920 2.4419 2.4419 4.9751 4.9751 6.6475 6.6475 7.4519 7.4519 7.9176 7.9176 k = 0.1667 0.0619-0.0164 ( 4681 PWs) bands (ev): -14.7174 -14.7174 -14.5184 -14.5184 -11.6418 -11.6418 -11.4164 -11.4164 -5.4964 -5.4964 -4.2714 -4.2714 -4.0392 -4.0392 -3.8473 -3.8473 -3.0501 -3.0501 -2.7140 -2.7140 -2.2588 -2.2588 -1.9847 -1.9847 -1.4292 -1.4292 -1.0087 -1.0087 -0.9013 -0.9013 -0.7047 -0.7047 -0.4700 -0.4700 0.8780 0.8780 1.5324 1.5324 1.9237 1.9237 2.4388 2.4388 5.0077 5.0077 6.6446 6.6446 7.4967 7.4967 7.9085 7.9085 k = 0.1833 0.0681-0.0181 ( 4679 PWs) bands (ev): -14.7157 -14.7157 -14.5183 -14.5183 -11.6440 -11.6440 -11.4199 -11.4199 -5.4924 -5.4924 -4.2637 -4.2637 -4.0344 -4.0344 -3.8373 -3.8373 -3.0318 -3.0318 -2.7034 -2.7034 -2.2571 -2.2571 -1.9994 -1.9994 -1.4795 -1.4795 -1.0322 -1.0322 -0.9300 -0.9300 -0.6962 -0.6962 -0.4627 -0.4627 0.9050 0.9050 1.5282 1.5282 1.9570 1.9570 2.4357 2.4357 5.0438 5.0438 6.6450 6.6450 7.5414 7.5414 7.8952 7.8952 k = 0.2000 0.0743-0.0197 ( 4680 PWs) bands (ev): -14.7139 -14.7139 -14.5182 -14.5182 -11.6464 -11.6464 -11.4236 -11.4236 -5.4885 -5.4885 -4.2554 -4.2554 -4.0278 -4.0278 -3.8270 -3.8270 -3.0131 -3.0131 -2.6924 -2.6924 -2.2553 -2.2553 -2.0146 -2.0146 -1.5319 -1.5319 -1.0566 -1.0566 -0.9594 -0.9594 -0.6874 -0.6874 -0.4548 -0.4548 0.9315 0.9315 1.5232 1.5232 1.9916 1.9916 2.4327 2.4327 5.0833 5.0833 6.6489 6.6489 7.5854 7.5854 7.8763 7.8763 k = 0.2167 0.0805-0.0214 ( 4676 PWs) bands (ev): -14.7120 -14.7120 -14.5181 -14.5181 -11.6489 -11.6489 -11.4273 -11.4273 -5.4849 -5.4849 -4.2468 -4.2468 -4.0195 -4.0195 -3.8163 -3.8163 -2.9941 -2.9941 -2.6813 -2.6813 -2.2533 -2.2533 -2.0301 -2.0301 -1.5859 -1.5859 -1.0816 -1.0816 -0.9890 -0.9890 -0.6785 -0.6785 -0.4463 -0.4463 0.9570 0.9570 1.5175 1.5175 2.0269 2.0269 2.4300 2.4300 5.1262 5.1262 6.6562 6.6562 7.6280 7.6280 7.8503 7.8503 k = 0.2333 0.0867-0.0230 ( 4673 PWs) bands (ev): -14.7101 -14.7101 -14.5181 -14.5181 -11.6516 -11.6516 -11.4310 -11.4310 -5.4814 -5.4814 -4.2380 -4.2380 -4.0093 -4.0093 -3.8053 -3.8053 -2.9749 -2.9749 -2.6706 -2.6706 -2.2511 -2.2511 -2.0455 -2.0455 -1.6409 -1.6409 -1.1071 -1.1071 -1.0188 -1.0188 -0.6695 -0.6695 -0.4376 -0.4376 0.9814 0.9814 1.5112 1.5112 2.0625 2.0625 2.4277 2.4277 5.1724 5.1724 6.6670 6.6670 7.6685 7.6685 7.8164 7.8164 k = 0.2500 0.0929-0.0246 ( 4669 PWs) bands (ev): -14.7081 -14.7081 -14.5180 -14.5180 -11.6544 -11.6544 -11.4346 -11.4346 -5.4783 -5.4783 -4.2290 -4.2290 -3.9973 -3.9973 -3.7938 -3.7938 -2.9557 -2.9557 -2.6608 -2.6608 -2.2488 -2.2488 -2.0603 -2.0603 -1.6963 -1.6963 -1.1328 -1.1328 -1.0485 -1.0485 -0.6604 -0.6604 -0.4286 -0.4286 1.0044 1.0044 1.5042 1.5042 2.0979 2.0979 2.4261 2.4261 5.2217 5.2217 6.6811 6.6811 7.7057 7.7057 7.7759 7.7759 k = 0.2667 0.0991-0.0263 ( 4670 PWs) bands (ev): -14.7062 -14.7062 -14.5179 -14.5179 -11.6573 -11.6573 -11.4382 -11.4382 -5.4756 -5.4756 -4.2202 -4.2202 -3.9838 -3.9838 -3.7816 -3.7816 -2.9365 -2.9365 -2.6527 -2.6527 -2.2463 -2.2463 -2.0739 -2.0739 -1.7515 -1.7515 -1.1584 -1.1584 -1.0780 -1.0780 -0.6515 -0.6515 -0.4195 -0.4195 1.0260 1.0260 1.4966 1.4966 2.1322 2.1322 2.4255 2.4255 5.2738 5.2738 6.6984 6.6984 7.7219 7.7219 7.7476 7.7476 k = 0.2833 0.1053-0.0279 ( 4669 PWs) bands (ev): -14.7042 -14.7042 -14.5178 -14.5178 -11.6602 -11.6602 -11.4416 -11.4416 -5.4732 -5.4732 -4.2116 -4.2116 -3.9688 -3.9688 -3.7685 -3.7685 -2.9175 -2.9175 -2.6470 -2.6470 -2.2438 -2.2438 -2.0858 -2.0858 -1.8059 -1.8059 -1.1837 -1.1837 -1.1070 -1.1070 -0.6428 -0.6428 -0.4106 -0.4106 1.0461 1.0461 1.4885 1.4885 2.1649 2.1649 2.4263 2.4263 5.3284 5.3284 6.7186 6.7186 7.6763 7.6763 7.7735 7.7735 k = 0.3000 0.1115-0.0296 ( 4672 PWs) bands (ev): -14.7023 -14.7023 -14.5177 -14.5177 -11.6632 -11.6632 -11.4448 -11.4448 -5.4712 -5.4712 -4.2033 -4.2033 -3.9529 -3.9529 -3.7545 -3.7545 -2.8987 -2.8987 -2.6446 -2.6446 -2.2412 -2.2412 -2.0953 -2.0953 -1.8588 -1.8588 -1.2084 -1.2084 -1.1354 -1.1354 -0.6342 -0.6342 -0.4018 -0.4018 1.0647 1.0647 1.4799 1.4799 2.1950 2.1950 2.4290 2.4290 5.3853 5.3853 6.7413 6.7413 7.6255 7.6255 7.7978 7.7978 k = 0.3167 0.1177-0.0312 ( 4679 PWs) bands (ev): -14.7005 -14.7005 -14.5177 -14.5177 -11.6661 -11.6661 -11.4479 -11.4479 -5.4696 -5.4696 -4.1955 -4.1955 -3.9364 -3.9364 -3.7392 -3.7392 -2.8802 -2.8802 -2.6461 -2.6461 -2.2387 -2.2387 -2.1020 -2.1020 -1.9099 -1.9099 -1.2324 -1.2324 -1.1631 -1.1631 -0.6261 -0.6261 -0.3933 -0.3933 1.0817 1.0817 1.4711 1.4711 2.2218 2.2218 2.4342 2.4342 5.4438 5.4438 6.7661 6.7661 7.5747 7.5747 7.8161 7.8161 k = 0.3333 0.1239-0.0329 ( 4681 PWs) bands (ev): -14.6987 -14.6987 -14.5176 -14.5176 -11.6690 -11.6690 -11.4507 -11.4507 -5.4683 -5.4683 -4.1883 -4.1883 -3.9198 -3.9198 -3.7226 -3.7226 -2.8620 -2.8620 -2.6519 -2.6519 -2.2362 -2.2362 -2.1058 -2.1058 -1.9582 -1.9582 -1.2553 -1.2553 -1.1898 -1.1898 -0.6183 -0.6183 -0.3852 -0.3852 1.0973 1.0973 1.4620 1.4620 2.2443 2.2443 2.4422 2.4422 5.5035 5.5035 6.7924 6.7924 7.5254 7.5254 7.8268 7.8268 k = 0.3500 0.1301-0.0345 ( 4684 PWs) bands (ev): -14.6971 -14.6971 -14.5175 -14.5175 -11.6717 -11.6717 -11.4534 -11.4534 -5.4672 -5.4672 -4.1816 -4.1816 -3.9038 -3.9038 -3.7044 -3.7044 -2.8442 -2.8442 -2.6620 -2.6620 -2.2340 -2.2340 -2.1067 -2.1067 -2.0030 -2.0030 -1.2770 -1.2770 -1.2153 -1.2153 -0.6110 -0.6110 -0.3776 -0.3776 1.1114 1.1114 1.4529 1.4529 2.2622 2.2622 2.4532 2.4532 5.5637 5.5637 6.8194 6.8194 7.4788 7.4788 7.8290 7.8290 k = 0.3667 0.1362-0.0361 ( 4680 PWs) bands (ev): -14.6955 -14.6955 -14.5175 -14.5175 -11.6743 -11.6743 -11.4557 -11.4557 -5.4665 -5.4665 -4.1756 -4.1756 -3.8888 -3.8888 -3.6848 -3.6848 -2.8271 -2.8271 -2.6761 -2.6761 -2.2322 -2.2322 -2.1064 -2.1064 -2.0426 -2.0426 -1.2972 -1.2972 -1.2394 -1.2394 -0.6043 -0.6043 -0.3706 -0.3706 1.1242 1.1242 1.4439 1.4439 2.2757 2.2757 2.4667 2.4667 5.6235 5.6235 6.8464 6.8464 7.4358 7.4358 7.8222 7.8222 k = 0.3833 0.1424-0.0378 ( 4674 PWs) bands (ev): -14.6941 -14.6941 -14.5174 -14.5174 -11.6767 -11.6767 -11.4578 -11.4578 -5.4660 -5.4660 -4.1703 -4.1703 -3.8753 -3.8753 -3.6640 -3.6640 -2.8110 -2.8110 -2.6931 -2.6931 -2.2313 -2.2313 -2.1105 -2.1105 -2.0710 -2.0710 -1.3157 -1.3157 -1.2618 -1.2618 -0.5982 -0.5982 -0.3643 -0.3643 1.1356 1.1356 1.4353 1.4353 2.2851 2.2851 2.4819 2.4819 5.6819 5.6819 6.8723 6.8723 7.3973 7.3973 7.8068 7.8068 k = 0.4000 0.1486-0.0394 ( 4669 PWs) bands (ev): -14.6928 -14.6928 -14.5174 -14.5174 -11.6789 -11.6789 -11.4597 -11.4597 -5.4656 -5.4656 -4.1657 -4.1657 -3.8635 -3.8635 -3.6426 -3.6426 -2.7969 -2.7969 -2.7113 -2.7113 -2.2319 -2.2319 -2.1292 -2.1292 -2.0778 -2.0778 -1.3325 -1.3325 -1.2821 -1.2821 -0.5928 -0.5928 -0.3587 -0.3587 1.1456 1.1456 1.4271 1.4271 2.2915 2.2915 2.4976 2.4976 5.7378 5.7378 6.8959 6.8959 7.3639 7.3639 7.7844 7.7844 k = 0.4167 0.1548-0.0411 ( 4670 PWs) bands (ev): -14.6918 -14.6918 -14.5173 -14.5173 -11.6808 -11.6808 -11.4612 -11.4612 -5.4654 -5.4654 -4.1618 -4.1618 -3.8536 -3.8536 -3.6214 -3.6214 -2.7866 -2.7866 -2.7277 -2.7277 -2.2350 -2.2350 -2.1518 -2.1518 -2.0732 -2.0732 -1.3472 -1.3472 -1.3001 -1.3001 -0.5882 -0.5882 -0.3538 -0.3538 1.1542 1.1542 1.4196 1.4196 2.2957 2.2957 2.5126 2.5126 5.7897 5.7897 6.9161 6.9161 7.3363 7.3363 7.7580 7.7580 k = 0.4333 0.1610-0.0427 ( 4668 PWs) bands (ev): -14.6908 -14.6908 -14.5173 -14.5173 -11.6824 -11.6824 -11.4625 -11.4625 -5.4653 -5.4653 -4.1586 -4.1586 -3.8455 -3.8455 -3.6015 -3.6015 -2.7846 -2.7846 -2.7369 -2.7369 -2.2416 -2.2416 -2.1689 -2.1689 -2.0663 -2.0663 -1.3597 -1.3597 -1.3153 -1.3153 -0.5843 -0.5843 -0.3498 -0.3498 1.1614 1.1614 1.4130 1.4130 2.2983 2.2983 2.5260 2.5260 5.8359 5.8359 6.9321 6.9321 7.3147 7.3147 7.7318 7.7318 k = 0.4500 0.1672-0.0444 ( 4660 PWs) bands (ev): -14.6901 -14.6901 -14.5172 -14.5172 -11.6837 -11.6837 -11.4635 -11.4635 -5.4652 -5.4652 -4.1561 -4.1561 -3.8393 -3.8393 -3.5841 -3.5841 -2.7923 -2.7923 -2.7362 -2.7362 -2.2511 -2.2511 -2.1791 -2.1791 -2.0595 -2.0595 -1.3698 -1.3698 -1.3275 -1.3275 -0.5812 -0.5812 -0.3466 -0.3466 1.1672 1.1672 1.4077 1.4077 2.2999 2.2999 2.5372 2.5372 5.8746 5.8746 6.9434 6.9434 7.2991 7.2991 7.7094 7.7094 k = 0.4667 0.1734-0.0460 ( 4658 PWs) bands (ev): -14.6896 -14.6896 -14.5172 -14.5172 -11.6847 -11.6847 -11.4642 -11.4642 -5.4652 -5.4652 -4.1543 -4.1543 -3.8350 -3.8350 -3.5705 -3.5705 -2.8028 -2.8028 -2.7315 -2.7315 -2.2606 -2.2606 -2.1842 -2.1842 -2.0539 -2.0539 -1.3772 -1.3772 -1.3363 -1.3363 -0.5790 -0.5790 -0.3443 -0.3443 1.1714 1.1714 1.4036 1.4036 2.3008 2.3008 2.5455 2.5455 5.9040 5.9040 6.9505 6.9505 7.2887 7.2887 7.6932 7.6932 k = 0.4833 0.1796-0.0477 ( 4659 PWs) bands (ev): -14.6893 -14.6893 -14.5172 -14.5172 -11.6852 -11.6852 -11.4646 -11.4646 -5.4652 -5.4652 -4.1532 -4.1532 -3.8324 -3.8324 -3.5618 -3.5618 -2.8105 -2.8105 -2.7276 -2.7276 -2.2673 -2.2673 -2.1865 -2.1865 -2.0503 -2.0503 -1.3818 -1.3818 -1.3417 -1.3417 -0.5777 -0.5777 -0.3430 -0.3430 1.1740 1.1740 1.4011 1.4011 2.3013 2.3013 2.5506 2.5506 5.9224 5.9224 6.9541 6.9541 7.2830 7.2830 7.6839 7.6839 k = 0.5000 0.1858-0.0493 ( 4660 PWs) bands (ev): -14.6892 -14.6892 -14.5172 -14.5172 -11.6854 -11.6854 -11.4648 -11.4648 -5.4652 -5.4652 -4.1529 -4.1529 -3.8315 -3.8315 -3.5588 -3.5588 -2.8133 -2.8133 -2.7262 -2.7262 -2.2698 -2.2698 -2.1871 -2.1871 -2.0491 -2.0491 -1.3833 -1.3833 -1.3435 -1.3435 -0.5772 -0.5772 -0.3425 -0.3425 1.1749 1.1749 1.4002 1.4002 2.3014 2.3014 2.5523 2.5523 5.9287 5.9287 6.9551 6.9551 7.2811 7.2811 7.6809 7.6809 k = 0.5000 0.1858-0.0493 ( 4660 PWs) bands (ev): -14.6892 -14.6892 -14.5172 -14.5172 -11.6854 -11.6854 -11.4648 -11.4648 -5.4652 -5.4652 -4.1529 -4.1529 -3.8315 -3.8315 -3.5588 -3.5588 -2.8133 -2.8133 -2.7262 -2.7262 -2.2698 -2.2698 -2.1871 -2.1871 -2.0491 -2.0491 -1.3833 -1.3833 -1.3435 -1.3435 -0.5772 -0.5772 -0.3425 -0.3425 1.1749 1.1749 1.4002 1.4002 2.3014 2.3014 2.5523 2.5523 5.9287 5.9287 6.9551 6.9551 7.2811 7.2811 7.6809 7.6809 k = 0.5016 0.1864-0.0310 ( 4660 PWs) bands (ev): -14.6891 -14.6891 -14.5173 -14.5173 -11.6856 -11.6856 -11.4645 -11.4645 -5.4652 -5.4652 -4.1529 -4.1529 -3.8318 -3.8318 -3.5600 -3.5600 -2.8135 -2.8135 -2.7265 -2.7265 -2.2688 -2.2688 -2.1862 -2.1862 -2.0480 -2.0480 -1.3830 -1.3830 -1.3434 -1.3434 -0.5778 -0.5778 -0.3434 -0.3434 1.1750 1.1750 1.4001 1.4001 2.3017 2.3017 2.5521 2.5521 5.9271 5.9271 6.9561 6.9561 7.2817 7.2817 7.6704 7.6704 k = 0.5032 0.1870-0.0126 ( 4659 PWs) bands (ev): -14.6888 -14.6888 -14.5176 -14.5176 -11.6862 -11.6862 -11.4639 -11.4639 -5.4650 -5.4650 -4.1529 -4.1529 -3.8329 -3.8329 -3.5633 -3.5633 -2.8141 -2.8141 -2.7272 -2.7272 -2.2659 -2.2659 -2.1835 -2.1835 -2.0449 -2.0449 -1.3822 -1.3822 -1.3431 -1.3431 -0.5795 -0.5795 -0.3459 -0.3459 1.1754 1.1754 1.3997 1.3997 2.3024 2.3024 2.5515 2.5515 5.9222 5.9222 6.9590 6.9590 7.2833 7.2833 7.6477 7.6477 k = 0.5048 0.1876 0.0057 ( 4663 PWs) bands (ev): -14.6883 -14.6883 -14.5181 -14.5181 -11.6871 -11.6871 -11.4627 -11.4627 -5.4647 -5.4647 -4.1529 -4.1529 -3.8346 -3.8346 -3.5688 -3.5688 -2.8153 -2.8153 -2.7282 -2.7282 -2.2616 -2.2616 -2.1788 -2.1788 -2.0396 -2.0396 -1.3809 -1.3809 -1.3425 -1.3425 -0.5824 -0.5824 -0.3501 -0.3501 1.1760 1.1760 1.3989 1.3989 2.3035 2.3035 2.5505 2.5505 5.9141 5.9141 6.9639 6.9639 7.2861 7.2861 7.6227 7.6227 k = 0.5064 0.1881 0.0241 ( 4663 PWs) bands (ev): -14.6876 -14.6876 -14.5189 -14.5189 -11.6884 -11.6884 -11.4612 -11.4612 -5.4643 -5.4643 -4.1529 -4.1529 -3.8371 -3.8371 -3.5762 -3.5762 -2.8173 -2.8173 -2.7291 -2.7291 -2.2565 -2.2565 -2.1720 -2.1720 -2.0321 -2.0321 -1.3793 -1.3793 -1.3414 -1.3414 -0.5864 -0.5864 -0.3558 -0.3558 1.1769 1.1769 1.3978 1.3978 2.3052 2.3052 2.5491 2.5491 5.9032 5.9032 6.9705 6.9705 7.2899 7.2899 7.5992 7.5992 k = 0.5079 0.1887 0.0424 ( 4663 PWs) bands (ev): -14.6867 -14.6867 -14.5198 -14.5198 -11.6901 -11.6901 -11.4593 -11.4593 -5.4639 -5.4639 -4.1528 -4.1528 -3.8402 -3.8402 -3.5854 -3.5854 -2.8203 -2.8203 -2.7296 -2.7296 -2.2514 -2.2514 -2.1627 -2.1627 -2.0224 -2.0224 -1.3776 -1.3776 -1.3397 -1.3397 -0.5914 -0.5914 -0.3630 -0.3630 1.1779 1.1779 1.3963 1.3963 2.3072 2.3072 2.5474 2.5474 5.8897 5.8897 6.9790 6.9790 7.2948 7.2948 7.5784 7.5784 k = 0.5095 0.1893 0.0607 ( 4659 PWs) bands (ev): -14.6856 -14.6856 -14.5209 -14.5209 -11.6920 -11.6920 -11.4571 -11.4571 -5.4633 -5.4633 -4.1528 -4.1528 -3.8440 -3.8440 -3.5959 -3.5959 -2.8243 -2.8243 -2.7294 -2.7294 -2.2467 -2.2467 -2.1511 -2.1511 -2.0104 -2.0104 -1.3761 -1.3761 -1.3370 -1.3370 -0.5975 -0.5975 -0.3713 -0.3713 1.1791 1.1791 1.3943 1.3943 2.3097 2.3097 2.5453 2.5453 5.8740 5.8740 6.9892 6.9892 7.3007 7.3007 7.5609 7.5609 k = 0.5111 0.1899 0.0791 ( 4664 PWs) bands (ev): -14.6844 -14.6844 -14.5222 -14.5222 -11.6941 -11.6941 -11.4545 -11.4545 -5.4627 -5.4627 -4.1527 -4.1527 -3.8485 -3.8485 -3.6075 -3.6075 -2.8293 -2.8293 -2.7285 -2.7285 -2.2427 -2.2427 -2.1376 -2.1376 -1.9963 -1.9963 -1.3750 -1.3750 -1.3333 -1.3333 -0.6045 -0.6045 -0.3807 -0.3807 1.1805 1.1805 1.3918 1.3918 2.3125 2.3125 2.5428 2.5428 5.8564 5.8564 7.0009 7.0009 7.3074 7.3074 7.5466 7.5466 k = 0.5127 0.1905 0.0974 ( 4667 PWs) bands (ev): -14.6830 -14.6830 -14.5236 -14.5236 -11.6964 -11.6964 -11.4517 -11.4517 -5.4621 -5.4621 -4.1525 -4.1525 -3.8537 -3.8537 -3.6199 -3.6199 -2.8352 -2.8352 -2.7269 -2.7269 -2.2395 -2.2395 -2.1225 -2.1225 -1.9800 -1.9800 -1.3745 -1.3745 -1.3284 -1.3284 -0.6124 -0.6124 -0.3909 -0.3909 1.1820 1.1820 1.3888 1.3888 2.3157 2.3157 2.5399 2.5399 5.8373 5.8373 7.0141 7.0141 7.3151 7.3151 7.5356 7.5356 k = 0.5143 0.1911 0.1158 ( 4664 PWs) bands (ev): -14.6815 -14.6815 -14.5252 -14.5252 -11.6989 -11.6989 -11.4488 -11.4488 -5.4614 -5.4614 -4.1522 -4.1522 -3.8595 -3.8595 -3.6329 -3.6329 -2.8417 -2.8417 -2.7248 -2.7248 -2.2369 -2.2369 -2.1064 -2.1064 -1.9618 -1.9618 -1.3744 -1.3744 -1.3224 -1.3224 -0.6211 -0.6211 -0.4016 -0.4016 1.1834 1.1834 1.3852 1.3852 2.3191 2.3191 2.5368 2.5368 5.8172 5.8172 7.0285 7.0285 7.3236 7.3236 7.5278 7.5278 k = 0.5159 0.1917 0.1341 ( 4660 PWs) bands (ev): -14.6798 -14.6798 -14.5269 -14.5269 -11.7015 -11.7015 -11.4456 -11.4456 -5.4607 -5.4607 -4.1517 -4.1517 -3.8659 -3.8659 -3.6460 -3.6460 -2.8485 -2.8485 -2.7223 -2.7223 -2.2348 -2.2348 -2.0897 -2.0897 -1.9419 -1.9419 -1.3747 -1.3747 -1.3153 -1.3153 -0.6305 -0.6305 -0.4127 -0.4127 1.1848 1.1848 1.3812 1.3812 2.3229 2.3229 2.5334 2.5334 5.7963 5.7963 7.0441 7.0441 7.3327 7.3327 7.5230 7.5230 k = 0.5175 0.1923 0.1524 ( 4664 PWs) bands (ev): -14.6780 -14.6780 -14.5287 -14.5287 -11.7041 -11.7041 -11.4424 -11.4424 -5.4600 -5.4600 -4.1512 -4.1512 -3.8729 -3.8729 -3.6591 -3.6591 -2.8555 -2.8555 -2.7198 -2.7198 -2.2333 -2.2333 -2.0727 -2.0727 -1.9209 -1.9209 -1.3753 -1.3753 -1.3074 -1.3074 -0.6405 -0.6405 -0.4238 -0.4238 1.1861 1.1861 1.3766 1.3766 2.3268 2.3268 2.5297 2.5297 5.7750 5.7750 7.0605 7.0605 7.3425 7.3425 7.5211 7.5211 k = 0.5191 0.1929 0.1708 ( 4666 PWs) bands (ev): -14.6762 -14.6762 -14.5307 -14.5307 -11.7068 -11.7068 -11.4391 -11.4391 -5.4594 -5.4594 -4.1505 -4.1505 -3.8804 -3.8804 -3.6719 -3.6719 -2.8624 -2.8624 -2.7172 -2.7172 -2.2320 -2.2320 -2.0557 -2.0557 -1.8991 -1.8991 -1.3760 -1.3760 -1.2989 -1.2989 -0.6510 -0.6510 -0.4347 -0.4347 1.1870 1.1870 1.3716 1.3716 2.3310 2.3310 2.5257 2.5257 5.7536 5.7536 7.0775 7.0775 7.3527 7.3527 7.5219 7.5219 k = 0.5207 0.1935 0.1891 ( 4670 PWs) bands (ev): -14.6743 -14.6743 -14.5326 -14.5326 -11.7095 -11.7095 -11.4358 -11.4358 -5.4588 -5.4588 -4.1495 -4.1495 -3.8884 -3.8884 -3.6842 -3.6842 -2.8691 -2.8691 -2.7147 -2.7147 -2.2311 -2.2311 -2.0389 -2.0389 -1.8771 -1.8771 -1.3768 -1.3768 -1.2899 -1.2899 -0.6617 -0.6617 -0.4452 -0.4452 1.1876 1.1876 1.3663 1.3663 2.3352 2.3352 2.5216 2.5216 5.7323 5.7323 7.0949 7.0949 7.3631 7.3631 7.5254 7.5254 k = 0.5222 0.1941 0.2075 ( 4662 PWs) bands (ev): -14.6724 -14.6724 -14.5346 -14.5346 -11.7121 -11.7121 -11.4326 -11.4326 -5.4582 -5.4582 -4.1484 -4.1484 -3.8967 -3.8967 -3.6958 -3.6958 -2.8755 -2.8755 -2.7125 -2.7125 -2.2303 -2.2303 -2.0225 -2.0225 -1.8553 -1.8553 -1.3774 -1.3774 -1.2806 -1.2806 -0.6727 -0.6727 -0.4549 -0.4549 1.1875 1.1875 1.3610 1.3610 2.3395 2.3395 2.5173 2.5173 5.7113 5.7113 7.1123 7.1123 7.3737 7.3737 7.5313 7.5313 k = 0.5238 0.1946 0.2258 ( 4668 PWs) bands (ev): -14.6704 -14.6704 -14.5366 -14.5366 -11.7147 -11.7147 -11.4294 -11.4294 -5.4578 -5.4578 -4.1471 -4.1471 -3.9053 -3.9053 -3.7068 -3.7068 -2.8814 -2.8814 -2.7106 -2.7106 -2.2297 -2.2297 -2.0066 -2.0066 -1.8342 -1.8342 -1.3777 -1.3777 -1.2712 -1.2712 -0.6837 -0.6837 -0.4637 -0.4637 1.1867 1.1867 1.3558 1.3558 2.3438 2.3438 2.5129 2.5129 5.6909 5.6909 7.1294 7.1294 7.3842 7.3842 7.5396 7.5396 k = 0.5254 0.1952 0.2441 ( 4674 PWs) bands (ev): -14.6686 -14.6686 -14.5386 -14.5386 -11.7171 -11.7171 -11.4263 -11.4263 -5.4574 -5.4574 -4.1456 -4.1456 -3.9140 -3.9140 -3.7169 -3.7169 -2.8867 -2.8867 -2.7090 -2.7090 -2.2293 -2.2293 -1.9915 -1.9915 -1.8142 -1.8142 -1.3777 -1.3777 -1.2618 -1.2618 -0.6944 -0.6944 -0.4715 -0.4715 1.1850 1.1850 1.3510 1.3510 2.3481 2.3481 2.5084 2.5084 5.6711 5.6711 7.1458 7.1458 7.3942 7.3942 7.5501 7.5501 k = 0.5270 0.1958 0.2625 ( 4674 PWs) bands (ev): -14.6668 -14.6668 -14.5405 -14.5405 -11.7194 -11.7194 -11.4234 -11.4234 -5.4572 -5.4572 -4.1439 -4.1439 -3.9225 -3.9225 -3.7262 -3.7262 -2.8915 -2.8915 -2.7078 -2.7078 -2.2289 -2.2289 -1.9772 -1.9772 -1.7958 -1.7958 -1.3772 -1.3772 -1.2528 -1.2528 -0.7047 -0.7047 -0.4781 -0.4781 1.1821 1.1821 1.3469 1.3469 2.3522 2.3522 2.5039 2.5039 5.6521 5.6521 7.1612 7.1612 7.4036 7.4036 7.5627 7.5627 k = 0.5286 0.1964 0.2808 ( 4669 PWs) bands (ev): -14.6651 -14.6651 -14.5423 -14.5423 -11.7216 -11.7216 -11.4206 -11.4206 -5.4570 -5.4570 -4.1421 -4.1421 -3.9308 -3.9308 -3.7346 -3.7346 -2.8956 -2.8956 -2.7070 -2.7070 -2.2287 -2.2287 -1.9642 -1.9642 -1.7791 -1.7791 -1.3761 -1.3761 -1.2442 -1.2442 -0.7144 -0.7144 -0.4833 -0.4833 1.1780 1.1780 1.3438 1.3438 2.3561 2.3561 2.4994 2.4994 5.6339 5.6339 7.1752 7.1752 7.4122 7.4122 7.5771 7.5771 k = 0.5302 0.1970 0.2992 ( 4669 PWs) bands (ev): -14.6635 -14.6635 -14.5439 -14.5439 -11.7235 -11.7235 -11.4181 -11.4181 -5.4570 -5.4570 -4.1402 -4.1402 -3.9386 -3.9386 -3.7421 -3.7421 -2.8991 -2.8991 -2.7066 -2.7066 -2.2285 -2.2285 -1.9524 -1.9524 -1.7645 -1.7645 -1.3742 -1.3742 -1.2362 -1.2362 -0.7232 -0.7232 -0.4872 -0.4872 1.1728 1.1728 1.3417 1.3417 2.3598 2.3598 2.4951 2.4951 5.6167 5.6167 7.1877 7.1877 7.4196 7.4196 7.5928 7.5928 k = 0.5318 0.1976 0.3175 ( 4669 PWs) bands (ev): -14.6622 -14.6622 -14.5453 -14.5453 -11.7253 -11.7253 -11.4157 -11.4157 -5.4571 -5.4571 -4.1383 -4.1383 -3.9458 -3.9458 -3.7487 -3.7487 -2.9019 -2.9019 -2.7067 -2.7067 -2.2283 -2.2283 -1.9423 -1.9423 -1.7521 -1.7521 -1.3715 -1.3715 -1.2292 -1.2292 -0.7309 -0.7309 -0.4898 -0.4898 1.1663 1.1663 1.3408 1.3408 2.3630 2.3630 2.4910 2.4910 5.6004 5.6004 7.1984 7.1984 7.4259 7.4259 7.6091 7.6091 k = 0.5334 0.1982 0.3358 ( 4659 PWs) bands (ev): -14.6610 -14.6610 -14.5465 -14.5465 -11.7268 -11.7268 -11.4137 -11.4137 -5.4573 -5.4573 -4.1364 -4.1364 -3.9520 -3.9520 -3.7545 -3.7545 -2.9040 -2.9040 -2.7071 -2.7071 -2.2282 -2.2282 -1.9340 -1.9340 -1.7421 -1.7421 -1.3679 -1.3679 -1.2232 -1.2232 -0.7373 -0.7373 -0.4910 -0.4910 1.1589 1.1589 1.3412 1.3412 2.3658 2.3658 2.4873 2.4873 5.5852 5.5852 7.2072 7.2072 7.4310 7.4310 7.6252 7.6252 k = 0.5350 0.1988 0.3542 ( 4656 PWs) bands (ev): -14.6602 -14.6602 -14.5474 -14.5474 -11.7282 -11.7282 -11.4118 -11.4118 -5.4576 -5.4576 -4.1348 -4.1348 -3.9571 -3.9571 -3.7595 -3.7595 -2.9054 -2.9054 -2.7080 -2.7080 -2.2281 -2.2281 -1.9276 -1.9276 -1.7344 -1.7344 -1.3635 -1.3635 -1.2185 -1.2185 -0.7422 -0.7422 -0.4911 -0.4911 1.1508 1.1508 1.3427 1.3427 2.3679 2.3679 2.4839 2.4839 5.5711 5.5711 7.2140 7.2140 7.4347 7.4347 7.6403 7.6403 k = 0.5350 0.1988 0.3542 ( 4656 PWs) bands (ev): -14.6602 -14.6602 -14.5474 -14.5474 -11.7282 -11.7282 -11.4118 -11.4118 -5.4576 -5.4576 -4.1348 -4.1348 -3.9571 -3.9571 -3.7595 -3.7595 -2.9054 -2.9054 -2.7080 -2.7080 -2.2281 -2.2281 -1.9276 -1.9276 -1.7344 -1.7344 -1.3635 -1.3635 -1.2185 -1.2185 -0.7422 -0.7422 -0.4911 -0.4911 1.1508 1.1508 1.3427 1.3427 2.3679 2.3679 2.4839 2.4839 5.5711 5.5711 7.2140 7.2140 7.4347 7.4347 7.6403 7.6403 k = 0.5262 0.1955 0.3665 ( 4655 PWs) bands (ev): -14.6596 -14.6596 -14.5478 -14.5478 -11.7300 -11.7300 -11.4102 -11.4102 -5.4586 -5.4586 -4.1329 -4.1329 -3.9553 -3.9553 -3.7634 -3.7634 -2.9120 -2.9120 -2.7086 -2.7086 -2.2272 -2.2272 -1.9122 -1.9122 -1.7372 -1.7372 -1.3650 -1.3650 -1.2191 -1.2191 -0.7433 -0.7433 -0.4865 -0.4865 1.1419 1.1419 1.3445 1.3445 2.3698 2.3698 2.4847 2.4847 5.5601 5.5601 7.2151 7.2151 7.4328 7.4328 7.6548 7.6548 k = 0.5175 0.1923 0.3788 ( 4651 PWs) bands (ev): -14.6592 -14.6592 -14.5481 -14.5481 -11.7313 -11.7313 -11.4090 -11.4090 -5.4594 -5.4594 -4.1315 -4.1315 -3.9539 -3.9539 -3.7663 -3.7663 -2.9167 -2.9167 -2.7091 -2.7091 -2.2266 -2.2266 -1.9000 -1.9000 -1.7405 -1.7405 -1.3659 -1.3659 -1.2196 -1.2196 -0.7441 -0.7441 -0.4830 -0.4830 1.1354 1.1354 1.3459 1.3459 2.3712 2.3712 2.4852 2.4852 5.5521 5.5521 7.2157 7.2157 7.4312 7.4312 7.6662 7.6662 k = 0.5087 0.1890 0.3911 ( 4653 PWs) bands (ev): -14.6589 -14.6589 -14.5483 -14.5483 -11.7321 -11.7321 -11.4083 -11.4083 -5.4598 -5.4598 -4.1307 -4.1307 -3.9530 -3.9530 -3.7682 -3.7682 -2.9195 -2.9195 -2.7094 -2.7094 -2.2262 -2.2262 -1.8919 -1.8919 -1.7433 -1.7433 -1.3664 -1.3664 -1.2198 -1.2198 -0.7445 -0.7445 -0.4808 -0.4808 1.1315 1.1315 1.3467 1.3467 2.3720 2.3720 2.4855 2.4855 5.5472 5.5472 7.2160 7.2160 7.4303 7.4303 7.6734 7.6734 k = 0.5000 0.1858 0.4035 ( 4656 PWs) bands (ev): -14.6588 -14.6588 -14.5484 -14.5484 -11.7324 -11.7324 -11.4081 -11.4081 -5.4600 -5.4600 -4.1304 -4.1304 -3.9527 -3.9527 -3.7688 -3.7688 -2.9205 -2.9205 -2.7095 -2.7095 -2.2261 -2.2261 -1.8891 -1.8891 -1.7444 -1.7444 -1.3665 -1.3665 -1.2199 -1.2199 -0.7447 -0.7447 -0.4800 -0.4800 1.1301 1.1301 1.3470 1.3470 2.3723 2.3723 2.4856 2.4856 5.5455 5.5455 7.2160 7.2160 7.4299 7.4299 7.6758 7.6758 k = 0.5000 0.1858 0.4035 ( 4656 PWs) bands (ev): -14.6588 -14.6588 -14.5484 -14.5484 -11.7324 -11.7324 -11.4081 -11.4081 -5.4600 -5.4600 -4.1304 -4.1304 -3.9527 -3.9527 -3.7688 -3.7688 -2.9205 -2.9205 -2.7095 -2.7095 -2.2261 -2.2261 -1.8891 -1.8891 -1.7444 -1.7444 -1.3665 -1.3665 -1.2199 -1.2199 -0.7447 -0.7447 -0.4800 -0.4800 1.1301 1.1301 1.3470 1.3470 2.3723 2.3723 2.4856 2.4856 5.5455 5.5455 7.2160 7.2160 7.4299 7.4299 7.6758 7.6758 k = 0.5063 0.1688 0.4035 ( 4658 PWs) bands (ev): -14.6587 -14.6587 -14.5483 -14.5483 -11.7322 -11.7322 -11.4080 -11.4080 -5.4599 -5.4599 -4.1306 -4.1306 -3.9525 -3.9525 -3.7688 -3.7688 -2.9199 -2.9199 -2.7096 -2.7096 -2.2270 -2.2270 -1.8893 -1.8893 -1.7445 -1.7445 -1.3652 -1.3652 -1.2212 -1.2212 -0.7446 -0.7446 -0.4797 -0.4797 1.1302 1.1302 1.3462 1.3462 2.3710 2.3710 2.4841 2.4841 5.5452 5.5452 7.2156 7.2156 7.4294 7.4294 7.6767 7.6767 k = 0.5126 0.1519 0.4035 ( 4660 PWs) bands (ev): -14.6585 -14.6585 -14.5483 -14.5483 -11.7317 -11.7317 -11.4079 -11.4079 -5.4597 -5.4597 -4.1313 -4.1313 -3.9517 -3.9517 -3.7689 -3.7689 -2.9181 -2.9181 -2.7099 -2.7099 -2.2295 -2.2295 -1.8900 -1.8900 -1.7448 -1.7448 -1.3610 -1.3610 -1.2249 -1.2249 -0.7443 -0.7443 -0.4788 -0.4788 1.1303 1.1303 1.3439 1.3439 2.3672 2.3672 2.4796 2.4796 5.5441 5.5441 7.2143 7.2143 7.4280 7.4280 7.6793 7.6793 k = 0.5189 0.1349 0.4035 ( 4660 PWs) bands (ev): -14.6581 -14.6581 -14.5483 -14.5483 -11.7308 -11.7308 -11.4076 -11.4076 -5.4594 -5.4594 -4.1324 -4.1324 -3.9505 -3.9505 -3.7690 -3.7690 -2.9152 -2.9152 -2.7105 -2.7105 -2.2336 -2.2336 -1.8910 -1.8910 -1.7453 -1.7453 -1.3543 -1.3543 -1.2311 -1.2311 -0.7437 -0.7437 -0.4772 -0.4772 1.1305 1.1305 1.3401 1.3401 2.3609 2.3609 2.4721 2.4721 5.5424 5.5424 7.2121 7.2121 7.4256 7.4256 7.6834 7.6834 k = 0.5252 0.1179 0.4035 ( 4644 PWs) bands (ev): -14.6575 -14.6575 -14.5483 -14.5483 -11.7296 -11.7296 -11.4072 -11.4072 -5.4590 -5.4590 -4.1339 -4.1339 -3.9487 -3.9487 -3.7693 -3.7693 -2.9112 -2.9112 -2.7111 -2.7111 -2.2392 -2.2392 -1.8924 -1.8924 -1.7461 -1.7461 -1.3451 -1.3451 -1.2395 -1.2395 -0.7428 -0.7428 -0.4751 -0.4751 1.1309 1.1309 1.3348 1.3348 2.3523 2.3523 2.4619 2.4619 5.5399 5.5399 7.2091 7.2091 7.4225 7.4225 7.6890 7.6890 k = 0.5315 0.1010 0.4035 ( 4652 PWs) bands (ev): -14.6567 -14.6567 -14.5483 -14.5483 -11.7280 -11.7280 -11.4067 -11.4067 -5.4585 -5.4585 -4.1359 -4.1359 -3.9465 -3.9465 -3.7695 -3.7695 -2.9061 -2.9061 -2.7119 -2.7119 -2.2463 -2.2463 -1.8942 -1.8942 -1.7471 -1.7471 -1.3337 -1.3337 -1.2501 -1.2501 -0.7416 -0.7416 -0.4726 -0.4726 1.1313 1.1313 1.3279 1.3279 2.3414 2.3414 2.4487 2.4487 5.5367 5.5367 7.2050 7.2050 7.4186 7.4186 7.6958 7.6958 k = 0.5378 0.0840 0.4035 ( 4652 PWs) bands (ev): -14.6558 -14.6558 -14.5483 -14.5483 -11.7261 -11.7261 -11.4060 -11.4060 -5.4578 -5.4578 -4.1382 -4.1382 -3.9439 -3.9439 -3.7699 -3.7699 -2.9000 -2.9000 -2.7126 -2.7126 -2.2545 -2.2545 -1.8962 -1.8962 -1.7484 -1.7484 -1.3204 -1.3204 -1.2627 -1.2627 -0.7400 -0.7400 -0.4696 -0.4696 1.1317 1.1317 1.3195 1.3195 2.3284 2.3284 2.4329 2.4329 5.5327 5.5327 7.2000 7.2000 7.4141 7.4141 7.7034 7.7034 k = 0.5441 0.0670 0.4035 ( 4658 PWs) bands (ev): -14.6547 -14.6547 -14.5483 -14.5483 -11.7239 -11.7239 -11.4053 -11.4053 -5.4570 -5.4570 -4.1409 -4.1409 -3.9410 -3.9410 -3.7703 -3.7703 -2.8932 -2.8932 -2.7131 -2.7131 -2.2638 -2.2638 -1.8984 -1.8984 -1.7501 -1.7501 -1.3058 -1.3058 -1.2767 -1.2767 -0.7378 -0.7378 -0.4664 -0.4664 1.1322 1.1322 1.3094 1.3094 2.3135 2.3135 2.4146 2.4146 5.5280 5.5280 7.1938 7.1938 7.4090 7.4090 7.7112 7.7112 k = 0.5504 0.0501 0.4035 ( 4656 PWs) bands (ev): -14.6535 -14.6535 -14.5483 -14.5483 -11.7214 -11.7214 -11.4046 -11.4046 -5.4562 -5.4562 -4.1439 -4.1439 -3.9377 -3.9377 -3.7709 -3.7709 -2.8857 -2.8857 -2.7131 -2.7131 -2.2740 -2.2740 -1.9009 -1.9009 -1.7520 -1.7520 -1.2981 -1.2981 -1.2841 -1.2841 -0.7351 -0.7351 -0.4630 -0.4630 1.1327 1.1327 1.2978 1.2978 2.2968 2.2968 2.3939 2.3939 5.5225 5.5225 7.1864 7.1864 7.4034 7.4034 7.7176 7.7176 k = 0.5567 0.0331 0.4035 ( 4658 PWs) bands (ev): -14.6521 -14.6521 -14.5483 -14.5483 -11.7186 -11.7186 -11.4037 -11.4037 -5.4552 -5.4552 -4.1472 -4.1472 -3.9342 -3.9342 -3.7715 -3.7715 -2.8778 -2.8778 -2.7125 -2.7125 -2.2850 -2.2850 -1.9035 -1.9035 -1.7542 -1.7542 -1.3131 -1.3131 -1.2692 -1.2692 -0.7316 -0.7316 -0.4595 -0.4595 1.1333 1.1333 1.2846 1.2846 2.2785 2.2785 2.3709 2.3709 5.5163 5.5163 7.1776 7.1776 7.3973 7.3973 7.7172 7.7172 k = 0.5630 0.0162 0.4035 ( 4666 PWs) bands (ev): -14.6505 -14.6505 -14.5483 -14.5483 -11.7155 -11.7155 -11.4027 -11.4027 -5.4541 -5.4541 -4.1508 -4.1508 -3.9304 -3.9304 -3.7723 -3.7723 -2.8700 -2.8700 -2.7108 -2.7108 -2.2964 -2.2964 -1.9064 -1.9064 -1.7568 -1.7568 -1.3319 -1.3319 -1.2511 -1.2511 -0.7272 -0.7272 -0.4560 -0.4560 1.1338 1.1338 1.2697 1.2697 2.2589 2.2589 2.3460 2.3460 5.5093 5.5093 7.1671 7.1671 7.3909 7.3909 7.7029 7.7029 k = 0.5693-0.0008 0.4035 ( 4664 PWs) bands (ev): -14.6489 -14.6489 -14.5484 -14.5484 -11.7120 -11.7120 -11.4017 -11.4017 -5.4529 -5.4529 -4.1547 -4.1547 -3.9264 -3.9264 -3.7731 -3.7731 -2.8625 -2.8625 -2.7076 -2.7076 -2.3082 -2.3082 -1.9095 -1.9095 -1.7596 -1.7596 -1.3521 -1.3521 -1.2322 -1.2322 -0.7216 -0.7216 -0.4525 -0.4525 1.1342 1.1342 1.2533 1.2533 2.2382 2.2382 2.3192 2.3192 5.5015 5.5015 7.1546 7.1546 7.3842 7.3842 7.6811 7.6811 k = 0.5756-0.0178 0.4035 ( 4672 PWs) bands (ev): -14.6471 -14.6471 -14.5485 -14.5485 -11.7084 -11.7084 -11.4007 -11.4007 -5.4517 -5.4517 -4.1588 -4.1588 -3.9224 -3.9224 -3.7740 -3.7740 -2.8560 -2.8560 -2.7024 -2.7024 -2.3203 -2.3203 -1.9128 -1.9128 -1.7626 -1.7626 -1.3733 -1.3733 -1.2132 -1.2132 -0.7149 -0.7149 -0.4493 -0.4493 1.1344 1.1344 1.2354 1.2354 2.2166 2.2166 2.2909 2.2909 5.4930 5.4930 7.1399 7.1399 7.3775 7.3775 7.6587 7.6587 k = 0.5819-0.0347 0.4035 ( 4672 PWs) bands (ev): -14.6451 -14.6451 -14.5486 -14.5486 -11.7044 -11.7044 -11.3996 -11.3996 -5.4503 -5.4503 -4.1632 -4.1632 -3.9182 -3.9182 -3.7751 -3.7751 -2.8508 -2.8508 -2.6948 -2.6948 -2.3324 -2.3324 -1.9164 -1.9164 -1.7659 -1.7659 -1.3952 -1.3952 -1.1943 -1.1943 -0.7069 -0.7069 -0.4463 -0.4463 1.1342 1.1342 1.2162 1.2162 2.1942 2.1942 2.2612 2.2612 5.4839 5.4839 7.1225 7.1225 7.3712 7.3712 7.6377 7.6377 k = 0.5882-0.0517 0.4035 ( 4676 PWs) bands (ev): -14.6431 -14.6431 -14.5488 -14.5488 -11.7003 -11.7003 -11.3984 -11.3984 -5.4489 -5.4489 -4.1677 -4.1677 -3.9140 -3.9140 -3.7762 -3.7762 -2.8473 -2.8473 -2.6844 -2.6844 -2.3444 -2.3444 -1.9202 -1.9202 -1.7693 -1.7693 -1.4177 -1.4177 -1.1757 -1.1757 -0.6973 -0.6973 -0.4437 -0.4437 1.1331 1.1331 1.1962 1.1962 2.1713 2.1713 2.2304 2.2304 5.4742 5.4742 7.1023 7.1023 7.3654 7.3654 7.6189 7.6189 k = 0.5945-0.0687 0.4035 ( 4680 PWs) bands (ev): -14.6409 -14.6409 -14.5490 -14.5490 -11.6959 -11.6959 -11.3973 -11.3973 -5.4474 -5.4474 -4.1724 -4.1724 -3.9099 -3.9099 -3.7775 -3.7775 -2.8457 -2.8457 -2.6712 -2.6712 -2.3562 -2.3562 -1.9244 -1.9244 -1.7729 -1.7729 -1.4407 -1.4407 -1.1578 -1.1578 -0.6862 -0.6862 -0.4414 -0.4414 1.1298 1.1298 1.1766 1.1766 2.1479 2.1479 2.1988 2.1988 5.4639 5.4639 7.0792 7.0792 7.3608 7.3608 7.6024 7.6024 k = 0.6008-0.0856 0.4035 ( 4678 PWs) bands (ev): -14.6386 -14.6386 -14.5492 -14.5492 -11.6912 -11.6912 -11.3961 -11.3961 -5.4459 -5.4459 -4.1772 -4.1772 -3.9058 -3.9058 -3.7788 -3.7788 -2.8458 -2.8458 -2.6553 -2.6553 -2.3675 -2.3675 -1.9290 -1.9290 -1.7765 -1.7765 -1.4638 -1.4638 -1.1406 -1.1406 -0.6733 -0.6733 -0.4397 -0.4397 1.1208 1.1208 1.1610 1.1610 2.1240 2.1240 2.1670 2.1670 5.4532 5.4532 7.0531 7.0531 7.3575 7.3575 7.5882 7.5882 k = 0.6072-0.1026 0.4035 ( 4680 PWs) bands (ev): -14.6363 -14.6363 -14.5495 -14.5495 -11.6864 -11.6864 -11.3950 -11.3950 -5.4443 -5.4443 -4.1821 -4.1821 -3.9019 -3.9019 -3.7802 -3.7802 -2.8474 -2.8474 -2.6372 -2.6372 -2.3782 -2.3782 -1.9339 -1.9339 -1.7801 -1.7801 -1.4869 -1.4869 -1.1245 -1.1245 -0.6588 -0.6588 -0.4383 -0.4383 1.1028 1.1028 1.1527 1.1527 2.0994 2.0994 2.1355 2.1355 5.4422 5.4422 7.0244 7.0244 7.3558 7.3558 7.5761 7.5761 k = 0.6135-0.1195 0.4035 ( 4684 PWs) bands (ev): -14.6338 -14.6338 -14.5499 -14.5499 -11.6814 -11.6814 -11.3938 -11.3938 -5.4426 -5.4426 -4.1872 -4.1872 -3.8981 -3.8981 -3.7816 -3.7816 -2.8502 -2.8502 -2.6174 -2.6174 -2.3880 -2.3880 -1.9393 -1.9393 -1.7837 -1.7837 -1.5098 -1.5098 -1.1094 -1.1094 -0.6427 -0.6427 -0.4375 -0.4375 1.0782 1.0782 1.1494 1.1494 2.0732 2.0732 2.1055 2.1055 5.4309 5.4309 6.9934 6.9934 7.3559 7.3559 7.5657 7.5657 k = 0.6198-0.1365 0.4035 ( 4686 PWs) bands (ev): -14.6313 -14.6313 -14.5503 -14.5503 -11.6763 -11.6763 -11.3927 -11.3927 -5.4409 -5.4409 -4.1923 -4.1923 -3.8946 -3.8946 -3.7830 -3.7830 -2.8541 -2.8541 -2.5966 -2.5966 -2.3964 -2.3964 -1.9452 -1.9452 -1.7872 -1.7872 -1.5322 -1.5322 -1.0953 -1.0953 -0.6250 -0.6250 -0.4373 -0.4373 1.0501 1.0501 1.1481 1.1481 2.0447 2.0447 2.0782 2.0782 5.4195 5.4195 6.9607 6.9607 7.3578 7.3578 7.5569 7.5569 k = 0.6261-0.1535 0.4035 ( 4692 PWs) bands (ev): -14.6287 -14.6287 -14.5509 -14.5509 -11.6710 -11.6710 -11.3917 -11.3917 -5.4392 -5.4392 -4.1975 -4.1975 -3.8915 -3.8915 -3.7844 -3.7844 -2.8587 -2.8587 -2.5757 -2.5757 -2.4027 -2.4027 -1.9515 -1.9515 -1.7905 -1.7905 -1.5540 -1.5540 -1.0824 -1.0824 -0.6059 -0.6059 -0.4376 -0.4376 1.0198 1.0198 1.1474 1.1474 2.0138 2.0138 2.0538 2.0538 5.4081 5.4081 6.9267 6.9267 7.3613 7.3613 7.5492 7.5492 k = 0.6324-0.1704 0.4035 ( 4694 PWs) bands (ev): -14.6260 -14.6260 -14.5515 -14.5515 -11.6656 -11.6656 -11.3907 -11.3907 -5.4375 -5.4375 -4.2027 -4.2027 -3.8888 -3.8888 -3.7858 -3.7858 -2.8639 -2.8639 -2.5560 -2.5560 -2.4059 -2.4059 -1.9584 -1.9584 -1.7938 -1.7938 -1.5748 -1.5748 -1.0705 -1.0705 -0.5857 -0.5857 -0.4385 -0.4385 0.9878 0.9878 1.1470 1.1470 1.9814 1.9814 2.0319 2.0319 5.3968 5.3968 6.8920 6.8920 7.3665 7.3665 7.5424 7.5424 k = 0.6387-0.1874 0.4035 ( 4698 PWs) bands (ev): -14.6233 -14.6233 -14.5521 -14.5521 -11.6601 -11.6601 -11.3898 -11.3898 -5.4357 -5.4357 -4.2079 -4.2079 -3.8865 -3.8865 -3.7870 -3.7870 -2.8695 -2.8695 -2.5395 -2.5395 -2.4042 -2.4042 -1.9659 -1.9659 -1.7970 -1.7970 -1.5944 -1.5944 -1.0596 -1.0596 -0.5644 -0.5644 -0.4399 -0.4399 0.9545 0.9545 1.1467 1.1467 1.9484 1.9484 2.0118 2.0118 5.3857 5.3857 6.8570 6.8570 7.3731 7.3731 7.5363 7.5363 k = 0.6450-0.2044 0.4035 ( 4692 PWs) bands (ev): -14.6205 -14.6205 -14.5529 -14.5529 -11.6546 -11.6546 -11.3890 -11.3890 -5.4340 -5.4340 -4.2130 -4.2130 -3.8847 -3.8847 -3.7880 -3.7880 -2.8754 -2.8754 -2.5280 -2.5280 -2.3962 -2.3962 -1.9739 -1.9739 -1.8002 -1.8002 -1.6122 -1.6122 -1.0496 -1.0496 -0.5425 -0.5425 -0.4419 -0.4419 0.9201 0.9201 1.1463 1.1463 1.9155 1.9155 1.9932 1.9932 5.3750 5.3750 6.8221 6.8221 7.3810 7.3810 7.5307 7.5307 k = 0.6513-0.2213 0.4035 ( 4702 PWs) bands (ev): -14.6178 -14.6178 -14.5538 -14.5538 -11.6490 -11.6490 -11.3883 -11.3883 -5.4322 -5.4322 -4.2181 -4.2181 -3.8835 -3.8835 -3.7889 -3.7889 -2.8814 -2.8814 -2.5224 -2.5224 -2.3812 -2.3812 -1.9825 -1.9825 -1.8035 -1.8035 -1.6280 -1.6280 -1.0404 -1.0404 -0.5202 -0.5202 -0.4442 -0.4442 0.8847 0.8847 1.1458 1.1458 1.8828 1.8828 1.9760 1.9760 5.3647 5.3647 6.7877 6.7877 7.3900 7.3900 7.5255 7.5255 k = 0.6576-0.2383 0.4035 ( 4700 PWs) bands (ev): -14.6150 -14.6150 -14.5548 -14.5548 -11.6433 -11.6433 -11.3877 -11.3877 -5.4304 -5.4304 -4.2232 -4.2232 -3.8830 -3.8830 -3.7895 -3.7895 -2.8875 -2.8875 -2.5215 -2.5215 -2.3606 -2.3606 -1.9918 -1.9918 -1.8070 -1.8070 -1.6411 -1.6411 -1.0319 -1.0319 -0.4984 -0.4984 -0.4464 -0.4464 0.8487 0.8487 1.1451 1.1451 1.8509 1.8509 1.9600 1.9600 5.3550 5.3550 6.7542 6.7542 7.3998 7.3998 7.5206 7.5206 k = 0.6639-0.2552 0.4035 ( 4700 PWs) bands (ev): -14.6121 -14.6121 -14.5559 -14.5559 -11.6376 -11.6376 -11.3873 -11.3873 -5.4287 -5.4287 -4.2281 -4.2281 -3.8831 -3.8831 -3.7898 -3.7898 -2.8936 -2.8936 -2.5239 -2.5239 -2.3364 -2.3364 -2.0016 -2.0016 -1.8109 -1.8109 -1.6510 -1.6510 -1.0240 -1.0240 -0.4789 -0.4789 -0.4468 -0.4468 0.8121 0.8121 1.1442 1.1442 1.8198 1.8198 1.9453 1.9453 5.3459 5.3459 6.7218 6.7218 7.4101 7.4101 7.5161 7.5161 k = 0.6702-0.2722 0.4035 ( 4704 PWs) bands (ev): -14.6093 -14.6093 -14.5571 -14.5571 -11.6319 -11.6319 -11.3869 -11.3869 -5.4270 -5.4270 -4.2330 -4.2330 -3.8839 -3.8839 -3.7900 -3.7900 -2.8995 -2.8995 -2.5282 -2.5282 -2.3105 -2.3105 -2.0120 -2.0120 -1.8153 -1.8153 -1.6572 -1.6572 -1.0167 -1.0167 -0.4688 -0.4688 -0.4386 -0.4386 0.7751 0.7751 1.1430 1.1430 1.7898 1.7898 1.9319 1.9319 5.3377 5.3377 6.6908 6.6908 7.4205 7.4205 7.5121 7.5121 k = 0.6765-0.2892 0.4035 ( 4702 PWs) bands (ev): -14.6065 -14.6065 -14.5584 -14.5584 -11.6263 -11.6263 -11.3868 -11.3868 -5.4253 -5.4253 -4.2377 -4.2377 -3.8853 -3.8853 -3.7899 -3.7899 -2.9053 -2.9053 -2.5333 -2.5333 -2.2841 -2.2841 -2.0230 -2.0230 -1.8201 -1.8201 -1.6593 -1.6593 -1.0099 -1.0099 -0.4694 -0.4694 -0.4205 -0.4205 0.7380 0.7380 1.1417 1.1417 1.7611 1.7611 1.9197 1.9197 5.3302 5.3302 6.6614 6.6614 7.4305 7.4305 7.5089 7.5089 k = 0.6828-0.3061 0.4035 ( 4702 PWs) bands (ev): -14.6037 -14.6037 -14.5598 -14.5598 -11.6207 -11.6207 -11.3868 -11.3868 -5.4237 -5.4237 -4.2422 -4.2422 -3.8874 -3.8874 -3.7896 -3.7896 -2.9109 -2.9109 -2.5390 -2.5390 -2.2583 -2.2583 -2.0345 -2.0345 -1.8251 -1.8251 -1.6570 -1.6570 -1.0036 -1.0036 -0.4739 -0.4739 -0.3999 -0.3999 0.7009 0.7009 1.1400 1.1400 1.7339 1.7339 1.9087 1.9087 5.3237 5.3237 6.6339 6.6339 7.4392 7.4392 7.5071 7.5071 k = 0.6891-0.3231 0.4035 ( 4702 PWs) bands (ev): -14.6009 -14.6009 -14.5614 -14.5614 -11.6151 -11.6151 -11.3869 -11.3869 -5.4221 -5.4221 -4.2465 -4.2465 -3.8901 -3.8901 -3.7891 -3.7891 -2.9162 -2.9162 -2.5447 -2.5447 -2.2343 -2.2343 -2.0462 -2.0462 -1.8299 -1.8299 -1.6500 -1.6500 -0.9977 -0.9977 -0.4799 -0.4799 -0.3791 -0.3791 0.6641 0.6641 1.1381 1.1381 1.7083 1.7083 1.8990 1.8990 5.3181 5.3181 6.6084 6.6084 7.4454 7.4454 7.5075 7.5075 k = 0.6954-0.3401 0.4035 ( 4696 PWs) bands (ev): -14.5982 -14.5982 -14.5631 -14.5631 -11.6096 -11.6096 -11.3873 -11.3873 -5.4205 -5.4205 -4.2506 -4.2506 -3.8933 -3.8933 -3.7886 -3.7886 -2.9212 -2.9212 -2.5503 -2.5503 -2.2129 -2.2129 -2.0578 -2.0578 -1.8344 -1.8344 -1.6385 -1.6385 -0.9922 -0.9922 -0.4867 -0.4867 -0.3589 -0.3589 0.6277 0.6277 1.1359 1.1359 1.6844 1.6844 1.8906 1.8906 5.3136 5.3136 6.5851 6.5851 7.4481 7.4481 7.5110 7.5110 k = 0.7017-0.3570 0.4035 ( 4698 PWs) bands (ev): -14.5955 -14.5955 -14.5649 -14.5649 -11.6043 -11.6043 -11.3878 -11.3878 -5.4190 -5.4190 -4.2545 -4.2545 -3.8970 -3.8970 -3.7881 -3.7881 -2.9258 -2.9258 -2.5558 -2.5558 -2.1953 -2.1953 -2.0685 -2.0685 -1.8381 -1.8381 -1.6223 -1.6223 -0.9870 -0.9870 -0.4943 -0.4943 -0.3398 -0.3398 0.5919 0.5919 1.1334 1.1334 1.6624 1.6624 1.8833 1.8833 5.3101 5.3101 6.5641 6.5641 7.4472 7.4472 7.5175 7.5175 k = 0.7080-0.3740 0.4035 ( 4692 PWs) bands (ev): -14.5928 -14.5928 -14.5669 -14.5669 -11.5990 -11.5990 -11.3886 -11.3886 -5.4176 -5.4176 -4.2582 -4.2582 -3.9012 -3.9012 -3.7875 -3.7875 -2.9301 -2.9301 -2.5610 -2.5610 -2.1831 -2.1831 -2.0769 -2.0769 -1.8409 -1.8409 -1.6017 -1.6017 -0.9822 -0.9822 -0.5024 -0.5024 -0.3219 -0.3219 0.5569 0.5569 1.1307 1.1307 1.6424 1.6424 1.8773 1.8773 5.3078 5.3078 6.5456 6.5456 7.4435 7.4435 7.5258 7.5258 k = 0.7143-0.3909 0.4035 ( 4702 PWs) bands (ev): -14.5902 -14.5902 -14.5690 -14.5690 -11.5938 -11.5938 -11.3895 -11.3895 -5.4163 -5.4163 -4.2616 -4.2616 -3.9058 -3.9058 -3.7871 -3.7871 -2.9339 -2.9339 -2.5658 -2.5658 -2.1778 -2.1778 -2.0815 -2.0815 -1.8427 -1.8427 -1.5768 -1.5768 -0.9777 -0.9777 -0.5111 -0.5111 -0.3054 -0.3054 0.5229 0.5229 1.1277 1.1277 1.6246 1.6246 1.8724 1.8724 5.3065 5.3065 6.5296 6.5296 7.4377 7.4377 7.5350 7.5350 k = 0.7206-0.4079 0.4035 ( 4698 PWs) bands (ev): -14.5877 -14.5877 -14.5712 -14.5712 -11.5888 -11.5888 -11.3906 -11.3906 -5.4150 -5.4150 -4.2648 -4.2648 -3.9107 -3.9107 -3.7868 -3.7868 -2.9373 -2.9373 -2.5704 -2.5704 -2.1801 -2.1801 -2.0814 -2.0814 -1.8435 -1.8435 -1.5479 -1.5479 -0.9735 -0.9735 -0.5202 -0.5202 -0.2906 -0.2906 0.4902 0.4902 1.1246 1.1246 1.6089 1.6089 1.8687 1.8687 5.3063 5.3063 6.5162 6.5162 7.4305 7.4305 7.5443 7.5443 k = 0.2794-0.7519 0.4528 ( 4698 PWs) bands (ev): -14.5877 -14.5877 -14.5712 -14.5712 -11.5888 -11.5888 -11.3906 -11.3906 -5.4150 -5.4150 -4.2648 -4.2648 -3.9107 -3.9107 -3.7868 -3.7868 -2.9373 -2.9373 -2.5704 -2.5704 -2.1801 -2.1801 -2.0814 -2.0814 -1.8435 -1.8435 -1.5479 -1.5479 -0.9735 -0.9735 -0.5202 -0.5202 -0.2906 -0.2906 0.4902 0.4902 1.1246 1.1246 1.6089 1.6089 1.8687 1.8687 5.3063 5.3063 6.5162 6.5162 7.4305 7.4305 7.5443 7.5443 k = 0.2730-0.7348 0.4528 ( 4704 PWs) bands (ev): -14.5852 -14.5852 -14.5735 -14.5735 -11.5840 -11.5840 -11.3920 -11.3920 -5.4138 -5.4138 -4.2677 -4.2677 -3.9160 -3.9160 -3.7867 -3.7867 -2.9403 -2.9403 -2.5747 -2.5747 -2.1889 -2.1889 -2.0774 -2.0774 -1.8433 -1.8433 -1.5153 -1.5153 -0.9696 -0.9696 -0.5298 -0.5298 -0.2775 -0.2775 0.4586 0.4586 1.1213 1.1213 1.5955 1.5955 1.8660 1.8660 5.3072 5.3072 6.5054 6.5054 7.4222 7.4222 7.5533 7.5533 k = 0.2667-0.7177 0.4528 ( 4704 PWs) bands (ev): -14.5828 -14.5828 -14.5760 -14.5760 -11.5792 -11.5792 -11.3936 -11.3936 -5.4127 -5.4127 -4.2702 -4.2702 -3.9215 -3.9215 -3.7869 -3.7869 -2.9427 -2.9427 -2.5787 -2.5787 -2.2017 -2.2017 -2.0713 -2.0713 -1.8423 -1.8423 -1.4795 -1.4795 -0.9660 -0.9660 -0.5397 -0.5397 -0.2663 -0.2663 0.4286 0.4286 1.1180 1.1180 1.5845 1.5845 1.8645 1.8645 5.3093 5.3093 6.4973 6.4973 7.4131 7.4131 7.5617 7.5617 k = 0.2603-0.7007 0.4528 ( 4704 PWs) bands (ev): -14.5805 -14.5805 -14.5786 -14.5786 -11.5747 -11.5747 -11.3953 -11.3953 -5.4116 -5.4116 -4.2725 -4.2725 -3.9273 -3.9273 -3.7873 -3.7873 -2.9447 -2.9447 -2.5825 -2.5825 -2.2169 -2.2169 -2.0643 -2.0643 -1.8406 -1.8406 -1.4412 -1.4412 -0.9626 -0.9626 -0.5499 -0.5499 -0.2571 -0.2571 0.4005 0.4005 1.1146 1.1146 1.5759 1.5759 1.8639 1.8639 5.3124 5.3124 6.4921 6.4921 7.4032 7.4032 7.5692 7.5692 k = 0.2540-0.6836 0.4528 ( 4694 PWs) bands (ev): -14.5815 -14.5815 -14.5782 -14.5782 -11.5704 -11.5704 -11.3973 -11.3973 -5.4107 -5.4107 -4.2745 -4.2745 -3.9333 -3.9333 -3.7880 -3.7880 -2.9462 -2.9462 -2.5861 -2.5861 -2.2334 -2.2334 -2.0569 -2.0569 -1.8382 -1.8382 -1.4009 -1.4009 -0.9596 -0.9596 -0.5602 -0.5602 -0.2501 -0.2501 0.3744 0.3744 1.1113 1.1113 1.5697 1.5697 1.8644 1.8644 5.3165 5.3165 6.4898 6.4898 7.3926 7.3926 7.5758 7.5758 k = 0.2476-0.6665 0.4528 ( 4690 PWs) bands (ev): -14.5843 -14.5843 -14.5760 -14.5760 -11.5662 -11.5662 -11.3995 -11.3995 -5.4099 -5.4099 -4.2762 -4.2762 -3.9395 -3.9395 -3.7891 -3.7891 -2.9473 -2.9473 -2.5896 -2.5896 -2.2504 -2.2504 -2.0494 -2.0494 -1.8353 -1.8353 -1.3593 -1.3593 -0.9568 -0.9568 -0.5707 -0.5707 -0.2454 -0.2454 0.3506 0.3506 1.1082 1.1082 1.5661 1.5661 1.8658 1.8658 5.3217 5.3217 6.4902 6.4902 7.3815 7.3815 7.5817 7.5817 k = 0.2413-0.6494 0.4528 ( 4690 PWs) bands (ev): -14.5873 -14.5873 -14.5740 -14.5740 -11.5623 -11.5623 -11.4019 -11.4019 -5.4092 -5.4092 -4.2775 -4.2775 -3.9458 -3.9458 -3.7905 -3.7905 -2.9478 -2.9478 -2.5931 -2.5931 -2.2673 -2.2673 -2.0418 -2.0418 -1.8318 -1.8318 -1.3169 -1.3169 -0.9543 -0.9543 -0.5811 -0.5811 -0.2429 -0.2429 0.3293 0.3293 1.1053 1.1053 1.5649 1.5649 1.8680 1.8680 5.3278 5.3278 6.4935 6.4935 7.3699 7.3699 7.5868 7.5868 k = 0.2349-0.6323 0.4528 ( 4694 PWs) bands (ev): -14.5904 -14.5904 -14.5720 -14.5720 -11.5585 -11.5585 -11.4045 -11.4045 -5.4086 -5.4086 -4.2786 -4.2786 -3.9523 -3.9523 -3.7922 -3.7922 -2.9479 -2.9479 -2.5968 -2.5968 -2.2840 -2.2840 -2.0339 -2.0339 -1.8279 -1.8279 -1.2742 -1.2742 -0.9521 -0.9521 -0.5914 -0.5914 -0.2428 -0.2428 0.3107 0.3107 1.1026 1.1026 1.5662 1.5662 1.8710 1.8710 5.3348 5.3348 6.4996 6.4996 7.3577 7.3577 7.5913 7.5913 k = 0.2286-0.6152 0.4528 ( 4688 PWs) bands (ev): -14.5936 -14.5936 -14.5702 -14.5702 -11.5550 -11.5550 -11.4072 -11.4072 -5.4081 -5.4081 -4.2793 -4.2793 -3.9589 -3.9589 -3.7944 -3.7944 -2.9476 -2.9476 -2.6007 -2.6007 -2.2999 -2.2999 -2.0257 -2.0257 -1.8236 -1.8236 -1.2318 -1.2318 -0.9501 -0.9501 -0.6014 -0.6014 -0.2450 -0.2450 0.2950 0.2950 1.1001 1.1001 1.5699 1.5699 1.8747 1.8747 5.3427 5.3427 6.5085 6.5085 7.3452 7.3452 7.5955 7.5955 k = 0.2222-0.5981 0.4528 ( 4686 PWs) bands (ev): -14.5969 -14.5969 -14.5684 -14.5684 -11.5517 -11.5517 -11.4102 -11.4102 -5.4077 -5.4077 -4.2797 -4.2797 -3.9657 -3.9657 -3.7970 -3.7970 -2.9469 -2.9469 -2.6050 -2.6050 -2.3148 -2.3148 -2.0170 -2.0170 -1.8188 -1.8188 -1.1904 -1.1904 -0.9483 -0.9483 -0.6110 -0.6110 -0.2494 -0.2494 0.2827 0.2827 1.0979 1.0979 1.5761 1.5761 1.8791 1.8791 5.3513 5.3513 6.5201 6.5201 7.3322 7.3322 7.5994 7.5994 k = 0.2159-0.5810 0.4528 ( 4698 PWs) bands (ev): -14.6003 -14.6003 -14.5668 -14.5668 -11.5487 -11.5487 -11.4133 -11.4133 -5.4074 -5.4074 -4.2798 -4.2798 -3.9725 -3.9725 -3.8000 -3.8000 -2.9459 -2.9459 -2.6098 -2.6098 -2.3285 -2.3285 -2.0079 -2.0079 -1.8137 -1.8137 -1.1505 -1.1505 -0.9467 -0.9467 -0.6200 -0.6200 -0.2561 -0.2561 0.2737 0.2737 1.0960 1.0960 1.5847 1.5847 1.8839 1.8839 5.3606 5.3606 6.5342 6.5342 7.3189 7.3189 7.6032 7.6032 k = 0.2095-0.5639 0.4528 ( 4702 PWs) bands (ev): -14.6038 -14.6038 -14.5652 -14.5652 -11.5458 -11.5458 -11.4166 -11.4166 -5.4072 -5.4072 -4.2796 -4.2796 -3.9795 -3.9795 -3.8034 -3.8034 -2.9445 -2.9445 -2.6152 -2.6152 -2.3407 -2.3407 -1.9983 -1.9983 -1.8081 -1.8081 -1.1125 -1.1125 -0.9454 -0.9454 -0.6283 -0.6283 -0.2649 -0.2649 0.2686 0.2686 1.0943 1.0943 1.5957 1.5957 1.8892 1.8892 5.3705 5.3705 6.5510 6.5510 7.3053 7.3053 7.6073 7.6073 k = 0.2032-0.5469 0.4528 ( 4702 PWs) bands (ev): -14.6073 -14.6073 -14.5638 -14.5638 -11.5432 -11.5432 -11.4200 -11.4200 -5.4072 -5.4072 -4.2792 -4.2792 -3.9865 -3.9865 -3.8073 -3.8073 -2.9430 -2.9430 -2.6214 -2.6214 -2.3513 -2.3513 -1.9881 -1.9881 -1.8022 -1.8022 -1.0772 -1.0772 -0.9441 -0.9441 -0.6357 -0.6357 -0.2758 -0.2758 0.2675 0.2675 1.0928 1.0928 1.6090 1.6090 1.8949 1.8949 5.3810 5.3810 6.5702 6.5702 7.2914 7.2914 7.6117 7.6117 k = 0.1968-0.5298 0.4528 ( 4706 PWs) bands (ev): -14.6109 -14.6109 -14.5625 -14.5625 -11.5408 -11.5408 -11.4236 -11.4236 -5.4072 -5.4072 -4.2784 -4.2784 -3.9935 -3.9935 -3.8116 -3.8116 -2.9413 -2.9413 -2.6283 -2.6283 -2.3600 -2.3600 -1.9773 -1.9773 -1.7959 -1.7959 -1.0451 -1.0451 -0.9431 -0.9431 -0.6420 -0.6420 -0.2886 -0.2886 0.2706 0.2706 1.0915 1.0915 1.6246 1.6246 1.9009 1.9009 5.3920 5.3920 6.5917 6.5917 7.2774 7.2774 7.6167 7.6167 k = 0.1905-0.5127 0.4528 ( 4702 PWs) bands (ev): -14.6146 -14.6146 -14.5612 -14.5612 -11.5386 -11.5386 -11.4272 -11.4272 -5.4074 -5.4074 -4.2774 -4.2774 -4.0007 -4.0007 -3.8163 -3.8163 -2.9395 -2.9395 -2.6358 -2.6358 -2.3669 -2.3669 -1.9660 -1.9660 -1.7893 -1.7893 -1.0165 -1.0165 -0.9421 -0.9421 -0.6470 -0.6470 -0.3032 -0.3032 0.2782 0.2782 1.0904 1.0904 1.6424 1.6424 1.9070 1.9070 5.4033 5.4033 6.6154 6.6154 7.2632 7.2632 7.6225 7.6225 k = 0.1841-0.4956 0.4528 ( 4702 PWs) bands (ev): -14.6183 -14.6183 -14.5601 -14.5601 -11.5366 -11.5366 -11.4310 -11.4310 -5.4076 -5.4076 -4.2761 -4.2761 -4.0078 -4.0078 -3.8214 -3.8214 -2.9377 -2.9377 -2.6439 -2.6439 -2.3720 -2.3720 -1.9541 -1.9541 -1.7824 -1.7824 -0.9919 -0.9919 -0.9411 -0.9411 -0.6508 -0.6508 -0.3194 -0.3194 0.2905 0.2905 1.0893 1.0893 1.6624 1.6624 1.9132 1.9132 5.4149 5.4149 6.6412 6.6412 7.2489 7.2489 7.6291 7.6291 k = 0.1778-0.4785 0.4528 ( 4696 PWs) bands (ev): -14.6220 -14.6220 -14.5591 -14.5591 -11.5348 -11.5348 -11.4349 -11.4349 -5.4080 -5.4080 -4.2746 -4.2746 -4.0150 -4.0150 -3.8269 -3.8269 -2.9360 -2.9360 -2.6525 -2.6525 -2.3753 -2.3753 -1.9417 -1.9417 -1.7751 -1.7751 -0.9716 -0.9716 -0.9401 -0.9401 -0.6532 -0.6532 -0.3371 -0.3371 0.3074 0.3074 1.0883 1.0883 1.6844 1.6844 1.9194 1.9194 5.4268 5.4268 6.6689 6.6689 7.2346 7.2346 7.6367 7.6367 k = 0.1714-0.4614 0.4528 ( 4694 PWs) bands (ev): -14.6258 -14.6258 -14.5581 -14.5581 -11.5333 -11.5333 -11.4388 -11.4388 -5.4084 -5.4084 -4.2729 -4.2729 -4.0223 -4.0223 -3.8328 -3.8328 -2.9345 -2.9345 -2.6612 -2.6612 -2.3769 -2.3769 -1.9288 -1.9288 -1.7675 -1.7675 -0.9558 -0.9558 -0.9387 -0.9387 -0.6544 -0.6544 -0.3561 -0.3561 0.3289 0.3289 1.0873 1.0873 1.7082 1.7082 1.9254 1.9254 5.4388 5.4388 6.6984 6.6984 7.2204 7.2204 7.6454 7.6454 k = 0.1651-0.4443 0.4528 ( 4696 PWs) bands (ev): -14.6295 -14.6295 -14.5573 -14.5573 -11.5319 -11.5319 -11.4429 -11.4429 -5.4090 -5.4090 -4.2709 -4.2709 -4.0295 -4.0295 -3.8391 -3.8391 -2.9333 -2.9333 -2.6698 -2.6698 -2.3770 -2.3770 -1.9154 -1.9154 -1.7597 -1.7597 -0.9456 -0.9456 -0.9355 -0.9355 -0.6547 -0.6547 -0.3762 -0.3762 0.3551 0.3551 1.0862 1.0862 1.7338 1.7338 1.9313 1.9313 5.4508 5.4508 6.7293 6.7293 7.2062 7.2062 7.6552 7.6553 k = 0.1587-0.4272 0.4528 ( 4696 PWs) bands (ev): -14.6333 -14.6333 -14.5565 -14.5565 -11.5307 -11.5307 -11.4469 -11.4469 -5.4096 -5.4096 -4.2688 -4.2688 -4.0368 -4.0368 -3.8457 -3.8457 -2.9326 -2.9326 -2.6782 -2.6782 -2.3757 -2.3757 -1.9016 -1.9016 -1.7516 -1.7516 -0.9418 -0.9418 -0.9295 -0.9295 -0.6543 -0.6543 -0.3972 -0.3972 0.3856 0.3856 1.0852 1.0852 1.7610 1.7610 1.9370 1.9370 5.4629 5.4629 6.7615 6.7615 7.1923 7.1923 7.6664 7.6664 k = 0.1524-0.4101 0.4528 ( 4698 PWs) bands (ev): -14.6370 -14.6370 -14.5559 -14.5559 -11.5297 -11.5297 -11.4510 -11.4510 -5.4103 -5.4103 -4.2665 -4.2665 -4.0440 -4.0440 -3.8526 -3.8526 -2.9324 -2.9324 -2.6860 -2.6860 -2.3733 -2.3733 -1.8876 -1.8876 -1.7434 -1.7434 -0.9405 -0.9405 -0.9239 -0.9239 -0.6537 -0.6537 -0.4189 -0.4189 0.4202 0.4202 1.0840 1.0840 1.7895 1.7895 1.9424 1.9424 5.4748 5.4748 6.7948 6.7948 7.1786 7.1786 7.6788 7.6788 k = 0.1460-0.3931 0.4528 ( 4692 PWs) bands (ev): -14.6407 -14.6407 -14.5553 -14.5553 -11.5288 -11.5288 -11.4551 -11.4551 -5.4111 -5.4111 -4.2640 -4.2640 -4.0512 -4.0512 -3.8597 -3.8597 -2.9327 -2.9327 -2.6930 -2.6930 -2.3698 -2.3698 -1.8733 -1.8733 -1.7349 -1.7349 -0.9397 -0.9397 -0.9201 -0.9201 -0.6532 -0.6532 -0.4411 -0.4411 0.4585 0.4585 1.0828 1.0828 1.8191 1.8191 1.9475 1.9475 5.4866 5.4866 6.8288 6.8288 7.1654 7.1654 7.6926 7.6926 k = 0.1397-0.3760 0.4528 ( 4692 PWs) bands (ev): -14.6444 -14.6444 -14.5548 -14.5548 -11.5281 -11.5281 -11.4591 -11.4591 -5.4120 -5.4120 -4.2614 -4.2614 -4.0584 -4.0584 -3.8671 -3.8671 -2.9338 -2.9338 -2.6992 -2.6992 -2.3655 -2.3655 -1.8588 -1.8588 -1.7264 -1.7264 -0.9392 -0.9392 -0.9179 -0.9179 -0.6531 -0.6531 -0.4636 -0.4636 0.5001 0.5001 1.0815 1.0815 1.8492 1.8492 1.9526 1.9526 5.4981 5.4981 6.8631 6.8631 7.1529 7.1529 7.7078 7.7078 k = 0.1333-0.3589 0.4528 ( 4692 PWs) bands (ev): -14.6480 -14.6480 -14.5543 -14.5543 -11.5275 -11.5275 -11.4632 -11.4632 -5.4129 -5.4129 -4.2587 -4.2587 -4.0655 -4.0655 -3.8747 -3.8747 -2.9355 -2.9355 -2.7043 -2.7043 -2.3603 -2.3603 -1.8443 -1.8443 -1.7177 -1.7177 -0.9389 -0.9389 -0.9170 -0.9170 -0.6537 -0.6537 -0.4861 -0.4861 0.5446 0.5446 1.0802 1.0802 1.8789 1.8789 1.9583 1.9583 5.5093 5.5093 6.8973 6.8973 7.1414 7.1414 7.7243 7.7243 k = 0.1270-0.3418 0.4528 ( 4692 PWs) bands (ev): -14.6515 -14.6515 -14.5540 -14.5540 -11.5271 -11.5271 -11.4672 -11.4672 -5.4139 -5.4139 -4.2559 -4.2559 -4.0725 -4.0725 -3.8824 -3.8824 -2.9379 -2.9379 -2.7084 -2.7084 -2.3546 -2.3546 -1.8298 -1.8298 -1.7091 -1.7091 -0.9388 -0.9388 -0.9169 -0.9169 -0.6551 -0.6551 -0.5083 -0.5083 0.5916 0.5916 1.0788 1.0788 1.9062 1.9062 1.9664 1.9664 5.5202 5.5202 6.9305 6.9305 7.1315 7.1315 7.7421 7.7421 k = 0.1206-0.3247 0.4528 ( 4694 PWs) bands (ev): -14.6550 -14.6550 -14.5537 -14.5537 -11.5268 -11.5268 -11.4711 -11.4711 -5.4150 -5.4150 -4.2530 -4.2530 -4.0795 -4.0795 -3.8903 -3.8903 -2.9409 -2.9409 -2.7114 -2.7114 -2.3482 -2.3482 -1.8155 -1.8155 -1.7004 -1.7004 -0.9388 -0.9388 -0.9173 -0.9173 -0.6575 -0.6575 -0.5298 -0.5298 0.6405 0.6405 1.0773 1.0773 1.9265 1.9265 1.9812 1.9812 5.5306 5.5306 6.9616 6.9616 7.1241 7.1241 7.7613 7.7613 k = 0.1143-0.3076 0.4528 ( 4696 PWs) bands (ev): -14.6584 -14.6584 -14.5535 -14.5535 -11.5266 -11.5266 -11.4749 -11.4749 -5.4160 -5.4160 -4.2501 -4.2501 -4.0863 -4.0863 -3.8981 -3.8981 -2.9445 -2.9445 -2.7134 -2.7134 -2.3414 -2.3414 -1.8014 -1.8014 -1.6918 -1.6918 -0.9390 -0.9390 -0.9180 -0.9180 -0.6610 -0.6610 -0.5504 -0.5504 0.6910 0.6910 1.0758 1.0758 1.9369 1.9369 2.0053 2.0053 5.5406 5.5406 6.9882 6.9882 7.1214 7.1214 7.7817 7.7817 k = 0.1079-0.2905 0.4528 ( 4700 PWs) bands (ev): -14.6616 -14.6616 -14.5533 -14.5533 -11.5264 -11.5264 -11.4787 -11.4787 -5.4171 -5.4171 -4.2472 -4.2472 -4.0930 -4.0929 -3.9060 -3.9060 -2.9485 -2.9485 -2.7145 -2.7145 -2.3343 -2.3343 -1.7877 -1.7877 -1.6833 -1.6833 -0.9394 -0.9394 -0.9189 -0.9189 -0.6659 -0.6659 -0.5695 -0.5695 0.7425 0.7425 1.0742 1.0742 1.9405 1.9405 2.0352 2.0352 5.5502 5.5502 7.0072 7.0072 7.1263 7.1263 7.8032 7.8032 k = 0.1016-0.2734 0.4528 ( 4694 PWs) bands (ev): -14.6648 -14.6648 -14.5531 -14.5531 -11.5264 -11.5264 -11.4823 -11.4823 -5.4182 -5.4182 -4.2442 -4.2442 -4.0994 -4.0994 -3.9137 -3.9137 -2.9528 -2.9528 -2.7148 -2.7148 -2.3268 -2.3268 -1.7745 -1.7745 -1.6748 -1.6748 -0.9401 -0.9401 -0.9198 -0.9198 -0.6723 -0.6723 -0.5866 -0.5866 0.7949 0.7949 1.0727 1.0727 1.9406 1.9406 2.0674 2.0674 5.5591 5.5591 7.0164 7.0164 7.1408 7.1408 7.8259 7.8259 k = 0.0952-0.2563 0.4528 ( 4694 PWs) bands (ev): -14.6678 -14.6678 -14.5530 -14.5530 -11.5265 -11.5265 -11.4858 -11.4858 -5.4193 -5.4193 -4.2412 -4.2412 -4.1057 -4.1057 -3.9214 -3.9214 -2.9573 -2.9573 -2.7145 -2.7145 -2.3192 -2.3192 -1.7620 -1.7620 -1.6665 -1.6665 -0.9411 -0.9411 -0.9207 -0.9207 -0.6803 -0.6803 -0.6014 -0.6014 0.8475 0.8475 1.0711 1.0711 1.9385 1.9385 2.1004 2.1004 5.5676 5.5676 7.0173 7.0173 7.1631 7.1631 7.8496 7.8496 k = 0.0889-0.2392 0.4528 ( 4694 PWs) bands (ev): -14.6707 -14.6707 -14.5530 -14.5530 -11.5266 -11.5266 -11.4891 -11.4891 -5.4204 -5.4204 -4.2383 -4.2383 -4.1118 -4.1118 -3.9289 -3.9289 -2.9619 -2.9619 -2.7137 -2.7137 -2.3114 -2.3114 -1.7501 -1.7501 -1.6584 -1.6584 -0.9426 -0.9426 -0.9215 -0.9215 -0.6899 -0.6899 -0.6137 -0.6137 0.9000 0.9000 1.0697 1.0697 1.9347 1.9347 2.1333 2.1333 5.5754 5.5754 7.0133 7.0133 7.1895 7.1895 7.8741 7.8741 k = 0.0825-0.2222 0.4528 ( 4692 PWs) bands (ev): -14.6734 -14.6734 -14.5529 -14.5529 -11.5267 -11.5267 -11.4923 -11.4923 -5.4215 -5.4215 -4.2355 -4.2355 -4.1175 -4.1175 -3.9362 -3.9362 -2.9665 -2.9665 -2.7124 -2.7124 -2.3036 -2.3036 -1.7390 -1.7390 -1.6504 -1.6504 -0.9444 -0.9444 -0.9221 -0.9221 -0.7006 -0.7006 -0.6236 -0.6236 0.9520 0.9520 1.0685 1.0685 1.9293 1.9293 2.1656 2.1656 5.5827 5.5827 7.0069 7.0069 7.2173 7.2173 7.8993 7.8993 k = 0.0762-0.2051 0.4528 ( 4692 PWs) bands (ev): -14.6760 -14.6760 -14.5529 -14.5529 -11.5269 -11.5269 -11.4953 -11.4953 -5.4226 -5.4226 -4.2327 -4.2327 -4.1230 -4.1230 -3.9432 -3.9432 -2.9709 -2.9709 -2.7109 -2.7109 -2.2958 -2.2958 -1.7288 -1.7288 -1.6426 -1.6426 -0.9469 -0.9469 -0.9226 -0.9226 -0.7116 -0.7116 -0.6316 -0.6316 1.0027 1.0027 1.0679 1.0679 1.9225 1.9225 2.1971 2.1971 5.5894 5.5894 6.9995 6.9995 7.2451 7.2451 7.9250 7.9250 k = 0.0698-0.1880 0.4528 ( 4690 PWs) bands (ev): -14.6784 -14.6784 -14.5529 -14.5529 -11.5271 -11.5271 -11.4981 -11.4981 -5.4236 -5.4236 -4.2301 -4.2301 -4.1282 -4.1282 -3.9498 -3.9498 -2.9752 -2.9752 -2.7092 -2.7092 -2.2882 -2.2882 -1.7196 -1.7196 -1.6351 -1.6351 -0.9501 -0.9501 -0.9229 -0.9229 -0.7224 -0.7224 -0.6380 -0.6380 1.0472 1.0472 1.0725 1.0725 1.9143 1.9143 2.2273 2.2273 5.5954 5.5954 6.9918 6.9918 7.2718 7.2718 7.9510 7.9510 k = 0.0635-0.1709 0.4528 ( 4696 PWs) bands (ev): -14.6806 -14.6806 -14.5530 -14.5530 -11.5273 -11.5273 -11.5008 -11.5008 -5.4246 -5.4246 -4.2276 -4.2276 -4.1330 -4.1330 -3.9561 -3.9561 -2.9793 -2.9793 -2.7074 -2.7074 -2.2808 -2.2808 -1.7114 -1.7114 -1.6279 -1.6279 -0.9540 -0.9540 -0.9228 -0.9228 -0.7323 -0.7323 -0.6434 -0.6434 1.0595 1.0595 1.1080 1.1080 1.9047 1.9047 2.2561 2.2561 5.6009 5.6009 6.9842 6.9842 7.2969 7.2969 7.9772 7.9772 k = 0.0571-0.1538 0.4528 ( 4696 PWs) bands (ev): -14.6827 -14.6827 -14.5530 -14.5530 -11.5276 -11.5276 -11.5032 -11.5032 -5.4255 -5.4255 -4.2253 -4.2253 -4.1374 -4.1374 -3.9620 -3.9620 -2.9830 -2.9830 -2.7055 -2.7055 -2.2737 -2.2737 -1.7041 -1.7041 -1.6211 -1.6211 -0.9586 -0.9586 -0.9225 -0.9225 -0.7412 -0.7412 -0.6480 -0.6480 1.0597 1.0597 1.1540 1.1540 1.8941 1.8941 2.2830 2.2830 5.6058 5.6058 6.9768 6.9768 7.3200 7.3200 8.0031 8.0031 k = 0.0508-0.1367 0.4528 ( 4694 PWs) bands (ev): -14.6845 -14.6845 -14.5531 -14.5531 -11.5278 -11.5278 -11.5053 -11.5053 -5.4263 -5.4263 -4.2232 -4.2232 -4.1413 -4.1413 -3.9674 -3.9674 -2.9864 -2.9864 -2.7038 -2.7038 -2.2670 -2.2670 -1.6978 -1.6978 -1.6147 -1.6147 -0.9637 -0.9637 -0.9220 -0.9220 -0.7488 -0.7488 -0.6518 -0.6518 1.0589 1.0589 1.1988 1.1988 1.8823 1.8823 2.3080 2.3080 5.6102 5.6102 6.9700 6.9700 7.3410 7.3410 8.0285 8.0285 k = 0.0444-0.1196 0.4528 ( 4698 PWs) bands (ev): -14.6862 -14.6862 -14.5531 -14.5531 -11.5280 -11.5280 -11.5073 -11.5073 -5.4271 -5.4271 -4.2213 -4.2213 -4.1449 -4.1449 -3.9723 -3.9723 -2.9895 -2.9895 -2.7021 -2.7021 -2.2608 -2.2608 -1.6924 -1.6924 -1.6088 -1.6088 -0.9691 -0.9691 -0.9212 -0.9212 -0.7551 -0.7551 -0.6551 -0.6551 1.0580 1.0580 1.2414 1.2414 1.8698 1.8698 2.3306 2.3306 5.6139 5.6139 6.9637 6.9637 7.3595 7.3595 8.0530 8.0530 k = 0.0381-0.1025 0.4528 ( 4682 PWs) bands (ev): -14.6876 -14.6876 -14.5532 -14.5532 -11.5282 -11.5282 -11.5090 -11.5090 -5.4278 -5.4278 -4.2196 -4.2196 -4.1480 -4.1480 -3.9766 -3.9766 -2.9922 -2.9922 -2.7006 -2.7006 -2.2552 -2.2552 -1.6879 -1.6879 -1.6036 -1.6036 -0.9746 -0.9746 -0.9203 -0.9203 -0.7602 -0.7602 -0.6579 -0.6579 1.0571 1.0571 1.2810 1.2810 1.8567 1.8567 2.3507 2.3507 5.6172 5.6172 6.9581 6.9581 7.3756 7.3756 8.0762 8.0762 k = 0.0317-0.0854 0.4528 ( 4676 PWs) bands (ev): -14.6888 -14.6888 -14.5532 -14.5532 -11.5284 -11.5284 -11.5104 -11.5104 -5.4284 -5.4284 -4.2181 -4.2181 -4.1506 -4.1506 -3.9804 -3.9804 -2.9945 -2.9945 -2.6992 -2.6992 -2.2503 -2.2503 -1.6842 -1.6842 -1.5989 -1.5989 -0.9797 -0.9797 -0.9193 -0.9193 -0.7643 -0.7643 -0.6601 -0.6601 1.0563 1.0563 1.3170 1.3170 1.8435 1.8435 2.3681 2.3681 5.6199 5.6199 6.9533 6.9533 7.3891 7.3891 8.0974 8.0974 k = 0.0254-0.0684 0.4528 ( 4682 PWs) bands (ev): -14.6899 -14.6899 -14.5533 -14.5533 -11.5286 -11.5286 -11.5117 -11.5117 -5.4288 -5.4288 -4.2170 -4.2170 -4.1527 -4.1527 -3.9835 -3.9835 -2.9964 -2.9964 -2.6981 -2.6981 -2.2461 -2.2461 -1.6813 -1.6813 -1.5951 -1.5951 -0.9844 -0.9844 -0.9185 -0.9185 -0.7674 -0.7674 -0.6620 -0.6620 1.0556 1.0556 1.3485 1.3485 1.8308 1.8308 2.3826 2.3826 5.6220 5.6220 6.9492 6.9492 7.4001 7.4001 8.1162 8.1162 k = 0.0190-0.0513 0.4528 ( 4672 PWs) bands (ev): -14.6906 -14.6906 -14.5533 -14.5533 -11.5287 -11.5287 -11.5126 -11.5126 -5.4292 -5.4292 -4.2161 -4.2161 -4.1543 -4.1543 -3.9859 -3.9859 -2.9978 -2.9978 -2.6972 -2.6972 -2.2428 -2.2428 -1.6791 -1.6791 -1.5920 -1.5920 -0.9883 -0.9883 -0.9177 -0.9177 -0.7696 -0.7696 -0.6634 -0.6634 1.0550 1.0550 1.3747 1.3747 1.8195 1.8195 2.3941 2.3941 5.6237 5.6237 6.9461 6.9461 7.4086 7.4086 8.1318 8.1318 k = 0.0127-0.0342 0.4528 ( 4676 PWs) bands (ev): -14.6912 -14.6912 -14.5533 -14.5533 -11.5288 -11.5288 -11.5133 -11.5133 -5.4295 -5.4295 -4.2154 -4.2154 -4.1555 -4.1555 -3.9877 -3.9877 -2.9989 -2.9989 -2.6965 -2.6965 -2.2404 -2.2404 -1.6776 -1.6776 -1.5898 -1.5898 -0.9912 -0.9912 -0.9171 -0.9171 -0.7712 -0.7712 -0.6644 -0.6644 1.0546 1.0546 1.3946 1.3946 1.8103 1.8103 2.4024 2.4024 5.6249 5.6249 6.9438 6.9438 7.4146 7.4146 8.1436 8.1436 k = 0.0063-0.0171 0.4528 ( 4678 PWs) bands (ev): -14.6915 -14.6915 -14.5533 -14.5533 -11.5289 -11.5289 -11.5137 -11.5137 -5.4297 -5.4297 -4.2150 -4.2150 -4.1562 -4.1562 -3.9888 -3.9888 -2.9995 -2.9995 -2.6961 -2.6961 -2.2389 -2.2389 -1.6767 -1.6767 -1.5884 -1.5884 -0.9930 -0.9930 -0.9167 -0.9167 -0.7721 -0.7721 -0.6650 -0.6650 1.0544 1.0544 1.4070 1.4070 1.8042 1.8042 2.4074 2.4074 5.6256 5.6256 6.9424 6.9424 7.4182 7.4182 8.1510 8.1510 k = 0.0000 0.0000 0.4528 ( 4680 PWs) bands (ev): -14.6917 -14.6917 -14.5533 -14.5533 -11.5289 -11.5289 -11.5138 -11.5138 -5.4297 -5.4297 -4.2149 -4.2149 -4.1564 -4.1564 -3.9891 -3.9891 -2.9997 -2.9997 -2.6960 -2.6960 -2.2384 -2.2384 -1.6764 -1.6764 -1.5880 -1.5880 -0.9936 -0.9936 -0.9166 -0.9166 -0.7724 -0.7724 -0.6652 -0.6652 1.0543 1.0543 1.4113 1.4113 1.8021 1.8021 2.4091 2.4091 5.6259 5.6259 6.9419 6.9419 7.4194 7.4194 8.1535 8.1535 k = 0.0000 0.0000 0.4528 ( 4680 PWs) bands (ev): -14.6917 -14.6917 -14.5533 -14.5533 -11.5289 -11.5289 -11.5138 -11.5138 -5.4297 -5.4297 -4.2149 -4.2149 -4.1564 -4.1564 -3.9891 -3.9891 -2.9997 -2.9997 -2.6960 -2.6960 -2.2384 -2.2384 -1.6764 -1.6764 -1.5880 -1.5880 -0.9936 -0.9936 -0.9166 -0.9166 -0.7724 -0.7724 -0.6652 -0.6652 1.0543 1.0543 1.4113 1.4113 1.8021 1.8021 2.4091 2.4091 5.6259 5.6259 6.9419 6.9419 7.4194 7.4194 8.1535 8.1535 k = 0.0172 0.0064 0.4528 ( 4677 PWs) bands (ev): -14.6916 -14.6916 -14.5533 -14.5533 -11.5324 -11.5324 -11.5106 -11.5106 -5.4296 -5.4296 -4.2172 -4.2172 -4.1545 -4.1545 -3.9877 -3.9877 -2.9987 -2.9987 -2.6958 -2.6958 -2.2384 -2.2384 -1.6789 -1.6789 -1.5887 -1.5887 -0.9941 -0.9941 -0.9162 -0.9162 -0.7727 -0.7727 -0.6654 -0.6654 1.0548 1.0548 1.4114 1.4114 1.8041 1.8041 2.4091 2.4091 5.6247 5.6247 6.9438 6.9438 7.4206 7.4206 8.1502 8.1502 k = 0.0344 0.0128 0.4528 ( 4678 PWs) bands (ev): -14.6913 -14.6913 -14.5533 -14.5533 -11.5393 -11.5393 -11.5046 -11.5046 -5.4293 -5.4293 -4.2233 -4.2233 -4.1497 -4.1497 -3.9832 -3.9832 -2.9956 -2.9956 -2.6951 -2.6951 -2.2382 -2.2382 -1.6865 -1.6865 -1.5907 -1.5907 -0.9954 -0.9954 -0.9151 -0.9151 -0.7740 -0.7740 -0.6659 -0.6659 1.0564 1.0564 1.4115 1.4115 1.8101 1.8101 2.4091 2.4091 5.6214 5.6214 6.9495 6.9495 7.4241 7.4241 8.1403 8.1403 k = 0.0517 0.0192 0.4528 ( 4676 PWs) bands (ev): -14.6908 -14.6908 -14.5532 -14.5532 -11.5473 -11.5473 -11.4981 -11.4981 -5.4288 -5.4288 -4.2313 -4.2313 -4.1436 -4.1436 -3.9761 -3.9761 -2.9904 -2.9904 -2.6940 -2.6940 -2.2380 -2.2380 -1.6997 -1.6997 -1.5935 -1.5935 -0.9972 -0.9972 -0.9133 -0.9133 -0.7765 -0.7765 -0.6665 -0.6665 1.0589 1.0589 1.4118 1.4118 1.8199 1.8199 2.4092 2.4092 5.6160 5.6160 6.9586 6.9586 7.4302 7.4302 8.1246 8.1246 k = 0.0689 0.0256 0.4528 ( 4682 PWs) bands (ev): -14.6902 -14.6902 -14.5531 -14.5531 -11.5558 -11.5558 -11.4916 -11.4916 -5.4282 -5.4282 -4.2399 -4.2399 -4.1372 -4.1372 -3.9665 -3.9665 -2.9832 -2.9832 -2.6924 -2.6924 -2.2376 -2.2376 -1.7184 -1.7184 -1.5965 -1.5965 -0.9995 -0.9995 -0.9109 -0.9109 -0.7808 -0.7808 -0.6670 -0.6670 1.0624 1.0624 1.4121 1.4121 1.8334 1.8334 2.4094 2.4094 5.6090 5.6090 6.9706 6.9706 7.4391 7.4391 8.1036 8.1036 k = 0.0861 0.0320 0.4528 ( 4680 PWs) bands (ev): -14.6894 -14.6894 -14.5529 -14.5529 -11.5646 -11.5646 -11.4854 -11.4854 -5.4275 -5.4275 -4.2481 -4.2481 -4.1313 -4.1313 -3.9549 -3.9549 -2.9740 -2.9740 -2.6904 -2.6904 -2.2371 -2.2371 -1.7427 -1.7427 -1.5996 -1.5996 -1.0017 -1.0017 -0.9082 -0.9082 -0.7870 -0.7870 -0.6673 -0.6673 1.0668 1.0668 1.4124 1.4124 1.8505 1.8505 2.4095 2.4095 5.6007 5.6007 6.9847 6.9847 7.4510 7.4510 8.0784 8.0784 k = 0.1033 0.0384 0.4528 ( 4684 PWs) bands (ev): -14.6884 -14.6884 -14.5528 -14.5528 -11.5736 -11.5736 -11.4794 -11.4794 -5.4267 -5.4267 -4.2553 -4.2553 -4.1258 -4.1258 -3.9417 -3.9417 -2.9630 -2.9630 -2.6880 -2.6880 -2.2364 -2.2364 -1.7719 -1.7719 -1.6026 -1.6026 -1.0040 -1.0040 -0.9054 -0.9054 -0.7953 -0.7953 -0.6674 -0.6674 1.0719 1.0719 1.4128 1.4128 1.8708 1.8708 2.4097 2.4097 5.5916 5.5916 7.0003 7.0003 7.4661 7.4661 8.0497 8.0497 k = 0.1206 0.0448 0.4528 ( 4685 PWs) bands (ev): -14.6873 -14.6873 -14.5526 -14.5526 -11.5828 -11.5828 -11.4737 -11.4737 -5.4260 -5.4260 -4.2612 -4.2612 -4.1208 -4.1208 -3.9274 -3.9274 -2.9502 -2.9502 -2.6852 -2.6852 -2.2355 -2.2355 -1.8054 -1.8054 -1.6057 -1.6057 -1.0061 -1.0061 -0.9031 -0.9031 -0.8050 -0.8050 -0.6675 -0.6675 1.0776 1.0776 1.4131 1.4131 1.8941 1.8941 2.4100 2.4100 5.5822 5.5822 7.0167 7.0167 7.4847 7.4847 8.0184 8.0184 k = 0.1378 0.0512 0.4528 ( 4678 PWs) bands (ev): -14.6860 -14.6860 -14.5524 -14.5524 -11.5921 -11.5921 -11.4683 -11.4683 -5.4254 -5.4254 -4.2654 -4.2654 -4.1162 -4.1162 -3.9124 -3.9124 -2.9357 -2.9357 -2.6820 -2.6820 -2.2344 -2.2344 -1.8423 -1.8423 -1.6090 -1.6090 -1.0084 -1.0084 -0.9022 -0.9022 -0.8149 -0.8149 -0.6675 -0.6675 1.0839 1.0839 1.4132 1.4132 1.9201 1.9201 2.4103 2.4103 5.5730 5.5730 7.0335 7.0335 7.5064 7.5064 7.9855 7.9855 k = 0.1550 0.0576 0.4528 ( 4681 PWs) bands (ev): -14.6847 -14.6847 -14.5521 -14.5521 -11.6016 -11.6016 -11.4633 -11.4633 -5.4250 -5.4250 -4.2677 -4.2677 -4.1119 -4.1119 -3.8971 -3.8971 -2.9197 -2.9197 -2.6786 -2.6786 -2.2330 -2.2330 -1.8817 -1.8817 -1.6126 -1.6126 -1.0112 -1.0112 -0.9042 -0.9042 -0.8236 -0.8236 -0.6675 -0.6675 1.0906 1.0906 1.4132 1.4132 1.9483 1.9483 2.4107 2.4107 5.5643 5.5643 7.0501 7.0501 7.5307 7.5307 7.9518 7.9518 k = 0.1722 0.0640 0.4528 ( 4685 PWs) bands (ev): -14.6832 -14.6832 -14.5519 -14.5519 -11.6110 -11.6110 -11.4585 -11.4585 -5.4248 -5.4248 -4.2680 -4.2680 -4.1078 -4.1078 -3.8819 -3.8819 -2.9026 -2.9026 -2.6750 -2.6750 -2.2315 -2.2315 -1.9227 -1.9227 -1.6167 -1.6167 -1.0150 -1.0150 -0.9105 -0.9105 -0.8290 -0.8290 -0.6674 -0.6674 1.0975 1.0975 1.4128 1.4128 1.9786 1.9786 2.4111 2.4111 5.5566 5.5566 7.0664 7.0664 7.5568 7.5568 7.9185 7.9185 k = 0.1895 0.0704 0.4528 ( 4674 PWs) bands (ev): -14.6816 -14.6816 -14.5516 -14.5516 -11.6204 -11.6204 -11.4540 -11.4540 -5.4249 -5.4249 -4.2662 -4.2662 -4.1037 -4.1037 -3.8670 -3.8670 -2.8846 -2.8846 -2.6715 -2.6715 -2.2297 -2.2297 -1.9641 -1.9641 -1.6211 -1.6211 -1.0203 -1.0203 -0.9219 -0.9219 -0.8303 -0.8303 -0.6667 -0.6667 1.1046 1.1046 1.4120 1.4120 2.0104 2.0104 2.4116 2.4116 5.5501 5.5501 7.0825 7.0825 7.5829 7.5829 7.8869 7.8869 k = 0.2067 0.0768 0.4528 ( 4675 PWs) bands (ev): -14.6800 -14.6800 -14.5513 -14.5513 -11.6298 -11.6298 -11.4497 -11.4497 -5.4254 -5.4254 -4.2623 -4.2623 -4.0996 -4.0996 -3.8527 -3.8527 -2.8662 -2.8662 -2.6684 -2.6684 -2.2278 -2.2278 -2.0047 -2.0047 -1.6261 -1.6261 -1.0279 -1.0279 -0.9374 -0.9374 -0.8281 -0.8281 -0.6651 -0.6651 1.1118 1.1118 1.4106 1.4106 2.0433 2.0433 2.4122 2.4122 5.5452 5.5452 7.0983 7.0983 7.6063 7.6063 7.8591 7.8591 k = 0.2239 0.0832 0.4528 ( 4675 PWs) bands (ev): -14.6783 -14.6783 -14.5510 -14.5510 -11.6390 -11.6390 -11.4458 -11.4458 -5.4262 -5.4262 -4.2564 -4.2564 -4.0953 -4.0953 -3.8390 -3.8390 -2.8476 -2.8476 -2.6661 -2.6661 -2.2260 -2.2260 -2.0431 -2.0431 -1.6315 -1.6315 -1.0382 -1.0382 -0.9558 -0.9558 -0.8237 -0.8237 -0.6620 -0.6620 1.1189 1.1189 1.4085 1.4085 2.0770 2.0770 2.4129 2.4129 5.5419 5.5419 7.1141 7.1141 7.6231 7.6231 7.8380 7.8380 k = 0.2411 0.0896 0.4528 ( 4683 PWs) bands (ev): -14.6765 -14.6765 -14.5507 -14.5507 -11.6481 -11.6481 -11.4421 -11.4421 -5.4274 -5.4274 -4.2485 -4.2485 -4.0907 -4.0907 -3.8262 -3.8262 -2.8293 -2.8293 -2.6652 -2.6652 -2.2246 -2.2246 -2.0774 -2.0774 -1.6373 -1.6373 -1.0515 -1.0515 -0.9761 -0.9761 -0.8179 -0.8179 -0.6570 -0.6570 1.1258 1.1258 1.4057 1.4057 2.1110 2.1110 2.4137 2.4137 5.5403 5.5403 7.1298 7.1298 7.6289 7.6289 7.8257 7.8257 k = 0.2584 0.0960 0.4528 ( 4683 PWs) bands (ev): -14.6748 -14.6748 -14.5504 -14.5504 -11.6569 -11.6569 -11.4386 -11.4386 -5.4289 -5.4289 -4.2388 -4.2388 -4.0857 -4.0857 -3.8143 -3.8143 -2.8119 -2.8119 -2.6667 -2.6667 -2.2246 -2.2246 -2.1053 -2.1053 -1.6435 -1.6435 -1.0679 -1.0679 -0.9980 -0.9980 -0.8114 -0.8114 -0.6498 -0.6498 1.1326 1.1326 1.4021 1.4021 2.1449 2.1449 2.4148 2.4148 5.5404 5.5404 7.1457 7.1457 7.6219 7.6219 7.8195 7.8195 k = 0.2756 0.1024 0.4528 ( 4681 PWs) bands (ev): -14.6731 -14.6731 -14.5501 -14.5501 -11.6655 -11.6655 -11.4354 -11.4354 -5.4308 -5.4308 -4.2278 -4.2278 -4.0801 -4.0801 -3.8034 -3.8034 -2.7956 -2.7956 -2.6715 -2.6715 -2.2268 -2.2268 -2.1243 -2.1243 -1.6498 -1.6498 -1.0872 -1.0872 -1.0211 -1.0211 -0.8044 -0.8044 -0.6404 -0.6404 1.1390 1.1390 1.3976 1.3976 2.1781 2.1781 2.4161 2.4161 5.5422 5.5422 7.1616 7.1616 7.6052 7.6052 7.8094 7.8094 k = 0.2928 0.1088 0.4528 ( 4683 PWs) bands (ev): -14.6714 -14.6714 -14.5498 -14.5498 -11.6737 -11.6737 -11.4324 -11.4324 -5.4330 -5.4330 -4.2158 -4.2158 -4.0737 -4.0737 -3.7936 -3.7936 -2.7809 -2.7809 -2.6804 -2.6804 -2.2314 -2.2314 -2.1328 -2.1328 -1.6563 -1.6563 -1.1091 -1.1091 -1.0451 -1.0451 -0.7972 -0.7972 -0.6290 -0.6290 1.1450 1.1450 1.3923 1.3923 2.2103 2.2103 2.4178 2.4178 5.5453 5.5453 7.1771 7.1771 7.5833 7.5833 7.7879 7.7879 k = 0.3100 0.1152 0.4528 ( 4687 PWs) bands (ev): -14.6697 -14.6697 -14.5495 -14.5495 -11.6816 -11.6816 -11.4295 -11.4295 -5.4354 -5.4354 -4.2033 -4.2033 -4.0662 -4.0662 -3.7849 -3.7849 -2.7683 -2.7683 -2.6936 -2.6936 -2.2369 -2.2369 -2.1315 -2.1315 -1.6629 -1.6629 -1.1333 -1.1333 -1.0694 -1.0694 -0.7901 -0.7901 -0.6158 -0.6158 1.1506 1.1506 1.3862 1.3862 2.2408 2.2408 2.4202 2.4202 5.5497 5.5497 7.1921 7.1921 7.5598 7.5598 7.7580 7.7580 k = 0.3273 0.1216 0.4528 ( 4695 PWs) bands (ev): -14.6681 -14.6681 -14.5492 -14.5492 -11.6890 -11.6890 -11.4269 -11.4269 -5.4381 -5.4381 -4.1909 -4.1909 -4.0575 -4.0575 -3.7774 -3.7774 -2.7587 -2.7587 -2.7103 -2.7103 -2.2410 -2.2410 -2.1225 -2.1225 -1.6695 -1.6695 -1.1597 -1.1597 -1.0935 -1.0935 -0.7830 -0.7830 -0.6012 -0.6012 1.1556 1.1556 1.3794 1.3794 2.2689 2.2689 2.4233 2.4233 5.5548 5.5548 7.2056 7.2056 7.5371 7.5371 7.7257 7.7257 k = 0.3445 0.1280 0.4528 ( 4684 PWs) bands (ev): -14.6666 -14.6666 -14.5489 -14.5489 -11.6960 -11.6960 -11.4245 -11.4245 -5.4408 -5.4408 -4.1791 -4.1791 -4.0472 -4.0472 -3.7710 -3.7710 -2.7572 -2.7572 -2.7246 -2.7246 -2.2429 -2.2429 -2.1076 -2.1076 -1.6760 -1.6760 -1.1880 -1.1880 -1.1164 -1.1164 -0.7762 -0.7762 -0.5859 -0.5859 1.1599 1.1599 1.3723 1.3723 2.2942 2.2942 2.4276 2.4276 5.5603 5.5603 7.2170 7.2170 7.5167 7.5167 7.6946 7.6946 k = 0.3617 0.1344 0.4528 ( 4677 PWs) bands (ev): -14.6653 -14.6653 -14.5487 -14.5487 -11.7024 -11.7024 -11.4222 -11.4222 -5.4436 -5.4436 -4.1684 -4.1684 -4.0353 -4.0353 -3.7658 -3.7658 -2.7727 -2.7727 -2.7265 -2.7265 -2.2425 -2.2425 -2.0879 -2.0879 -1.6826 -1.6826 -1.2179 -1.2179 -1.1377 -1.1377 -0.7697 -0.7697 -0.5701 -0.5701 1.1633 1.1633 1.3650 1.3650 2.3158 2.3158 2.4334 2.4334 5.5658 5.5658 7.2253 7.2253 7.4994 7.4994 7.6672 7.6672 k = 0.3789 0.1408 0.4528 ( 4673 PWs) bands (ev): -14.6640 -14.6640 -14.5484 -14.5484 -11.7083 -11.7083 -11.4201 -11.4201 -5.4463 -5.4463 -4.1592 -4.1592 -4.0221 -4.0221 -3.7618 -3.7618 -2.7972 -2.7972 -2.7221 -2.7221 -2.2407 -2.2407 -2.0643 -2.0643 -1.6893 -1.6893 -1.2484 -1.2484 -1.1570 -1.1570 -0.7637 -0.7637 -0.5544 -0.5544 1.1655 1.1655 1.3581 1.3581 2.3331 2.3331 2.4409 2.4409 5.5708 5.5708 7.2298 7.2298 7.4853 7.4853 7.6454 7.6454 k = 0.3962 0.1472 0.4528 ( 4676 PWs) bands (ev): -14.6629 -14.6629 -14.5482 -14.5482 -11.7136 -11.7136 -11.4182 -11.4182 -5.4490 -5.4490 -4.1516 -4.1516 -4.0079 -4.0079 -3.7590 -3.7590 -2.8235 -2.8235 -2.7173 -2.7173 -2.2380 -2.2380 -2.0378 -2.0378 -1.6964 -1.6964 -1.2784 -1.2784 -1.1741 -1.1741 -0.7581 -0.7581 -0.5392 -0.5392 1.1662 1.1662 1.3519 1.3519 2.3462 2.3462 2.4499 2.4499 5.5747 5.5747 7.2305 7.2305 7.4734 7.4734 7.6306 7.6306 k = 0.4134 0.1536 0.4528 ( 4671 PWs) bands (ev): -14.6619 -14.6619 -14.5480 -14.5480 -11.7183 -11.7183 -11.4164 -11.4164 -5.4515 -5.4515 -4.1455 -4.1455 -3.9935 -3.9935 -3.7574 -3.7574 -2.8489 -2.8489 -2.7133 -2.7133 -2.2351 -2.2351 -2.0095 -2.0095 -1.7041 -1.7041 -1.3065 -1.3065 -1.1889 -1.1889 -0.7532 -0.7532 -0.5249 -0.5249 1.1652 1.1652 1.3469 1.3469 2.3555 2.3555 2.4597 2.4597 5.5771 5.5771 7.2281 7.2281 7.4626 7.4626 7.6238 7.6238 k = 0.4306 0.1600 0.4528 ( 4664 PWs) bands (ev): -14.6612 -14.6612 -14.5478 -14.5478 -11.7222 -11.7222 -11.4147 -11.4147 -5.4538 -5.4538 -4.1408 -4.1408 -3.9796 -3.9796 -3.7571 -3.7571 -2.8717 -2.8717 -2.7104 -2.7104 -2.2323 -2.2323 -1.9806 -1.9806 -1.7130 -1.7130 -1.3311 -1.3311 -1.2013 -1.2013 -0.7488 -0.7488 -0.5120 -0.5120 1.1623 1.1623 1.3436 1.3436 2.3617 2.3617 2.4693 2.4693 5.5775 5.5775 7.2237 7.2237 7.4523 7.4523 7.6244 7.6244 k = 0.4478 0.1664 0.4528 ( 4666 PWs) bands (ev): -14.6606 -14.6606 -14.5476 -14.5476 -11.7256 -11.7256 -11.4132 -11.4132 -5.4559 -5.4559 -4.1373 -4.1373 -3.9671 -3.9671 -3.7578 -3.7578 -2.8909 -2.8909 -2.7086 -2.7086 -2.2299 -2.2299 -1.9526 -1.9526 -1.7232 -1.7232 -1.3506 -1.3506 -1.2112 -1.2112 -0.7451 -0.7451 -0.5006 -0.5006 1.1574 1.1574 1.3421 1.3421 2.3656 2.3656 2.4776 2.4776 5.5756 5.5756 7.2186 7.2186 7.4427 7.4427 7.6307 7.6307 k = 0.4650 0.1728 0.4528 ( 4656 PWs) bands (ev): -14.6602 -14.6602 -14.5474 -14.5474 -11.7282 -11.7282 -11.4118 -11.4118 -5.4576 -5.4576 -4.1348 -4.1348 -3.9571 -3.9571 -3.7595 -3.7595 -2.9054 -2.9054 -2.7080 -2.7080 -2.2281 -2.2281 -1.9276 -1.9276 -1.7344 -1.7344 -1.3635 -1.3635 -1.2185 -1.2185 -0.7422 -0.7422 -0.4911 -0.4911 1.1508 1.1508 1.3427 1.3427 2.3679 2.3679 2.4839 2.4839 5.5711 5.5711 7.2140 7.2140 7.4347 7.4347 7.6403 7.6403 k = 0.5000 0.1858-0.0493 ( 4660 PWs) bands (ev): -14.6892 -14.6892 -14.5172 -14.5172 -11.6854 -11.6854 -11.4648 -11.4648 -5.4652 -5.4652 -4.1529 -4.1529 -3.8315 -3.8315 -3.5588 -3.5588 -2.8133 -2.8133 -2.7262 -2.7262 -2.2698 -2.2698 -2.1871 -2.1871 -2.0491 -2.0491 -1.3833 -1.3833 -1.3435 -1.3435 -0.5772 -0.5772 -0.3425 -0.3425 1.1749 1.1749 1.4002 1.4002 2.3014 2.3014 2.5523 2.5523 5.9287 5.9287 6.9551 6.9551 7.2811 7.2811 7.6809 7.6809 k = 0.5063 0.1688-0.0493 ( 4658 PWs) bands (ev): -14.6891 -14.6891 -14.5172 -14.5172 -11.6853 -11.6853 -11.4646 -11.4646 -5.4652 -5.4652 -4.1529 -4.1529 -3.8316 -3.8316 -3.5588 -3.5588 -2.8126 -2.8126 -2.7263 -2.7263 -2.2692 -2.2692 -2.1879 -2.1879 -2.0492 -2.0492 -1.3831 -1.3831 -1.3432 -1.3432 -0.5779 -0.5779 -0.3429 -0.3429 1.1738 1.1738 1.4004 1.4004 2.3005 2.3005 2.5508 2.5508 5.9285 5.9285 6.9551 6.9551 7.2806 7.2806 7.6813 7.6813 k = 0.5127 0.1517-0.0493 ( 4664 PWs) bands (ev): -14.6887 -14.6887 -14.5173 -14.5173 -11.6849 -11.6849 -11.4643 -11.4643 -5.4650 -5.4650 -4.1531 -4.1531 -3.8318 -3.8318 -3.5587 -3.5587 -2.8106 -2.8106 -2.7267 -2.7267 -2.2675 -2.2675 -2.1902 -2.1902 -2.0497 -2.0497 -1.3828 -1.3828 -1.3420 -1.3420 -0.5800 -0.5800 -0.3440 -0.3440 1.1704 1.1704 1.4009 1.4009 2.2976 2.2976 2.5461 2.5461 5.9279 5.9279 6.9550 6.9550 7.2792 7.2792 7.6825 7.6825 k = 0.5190 0.1347-0.0493 ( 4662 PWs) bands (ev): -14.6882 -14.6882 -14.5174 -14.5174 -11.6843 -11.6843 -11.4637 -11.4637 -5.4648 -5.4648 -4.1534 -4.1534 -3.8322 -3.8322 -3.5584 -3.5584 -2.8074 -2.8074 -2.7274 -2.7274 -2.2648 -2.2648 -2.1940 -2.1940 -2.0505 -2.0505 -1.3829 -1.3829 -1.3394 -1.3394 -0.5833 -0.5833 -0.3459 -0.3459 1.1650 1.1650 1.4017 1.4017 2.2929 2.2929 2.5384 2.5384 5.9269 5.9269 6.9547 6.9547 7.2768 7.2768 7.6844 7.6844 k = 0.5253 0.1177-0.0493 ( 4666 PWs) bands (ev): -14.6874 -14.6874 -14.5176 -14.5176 -11.6835 -11.6835 -11.4629 -11.4629 -5.4645 -5.4645 -4.1539 -4.1539 -3.8328 -3.8328 -3.5581 -3.5581 -2.8029 -2.8029 -2.7282 -2.7282 -2.2610 -2.2610 -2.1992 -2.1992 -2.0515 -2.0515 -1.3843 -1.3843 -1.3348 -1.3348 -0.5878 -0.5878 -0.3486 -0.3486 1.1573 1.1573 1.4027 1.4027 2.2864 2.2864 2.5278 2.5278 5.9254 5.9254 6.9542 6.9542 7.2736 7.2736 7.6871 7.6871 k = 0.5316 0.1006-0.0493 ( 4658 PWs) bands (ev): -14.6864 -14.6864 -14.5178 -14.5178 -11.6824 -11.6824 -11.4619 -11.4619 -5.4641 -5.4641 -4.1545 -4.1545 -3.8335 -3.8335 -3.5578 -3.5578 -2.7974 -2.7974 -2.7288 -2.7288 -2.2564 -2.2564 -2.2055 -2.2055 -2.0528 -2.0528 -1.3872 -1.3872 -1.3280 -1.3280 -0.5932 -0.5932 -0.3520 -0.3520 1.1475 1.1475 1.4040 1.4040 2.2782 2.2782 2.5142 2.5142 5.9234 5.9234 6.9535 6.9535 7.2697 7.2697 7.6906 7.6906 k = 0.5380 0.0836-0.0493 ( 4662 PWs) bands (ev): -14.6853 -14.6853 -14.5181 -14.5181 -11.6811 -11.6811 -11.4606 -11.4606 -5.4636 -5.4636 -4.1553 -4.1553 -3.8344 -3.8344 -3.5573 -3.5573 -2.7913 -2.7913 -2.7290 -2.7290 -2.2511 -2.2511 -2.2124 -2.2124 -2.0544 -2.0544 -1.3919 -1.3919 -1.3191 -1.3191 -0.5995 -0.5995 -0.3563 -0.3563 1.1357 1.1357 1.4055 1.4055 2.2682 2.2682 2.4980 2.4980 5.9210 5.9210 6.9523 6.9523 7.2652 7.2652 7.6947 7.6947 k = 0.5443 0.0666-0.0493 ( 4660 PWs) bands (ev): -14.6838 -14.6838 -14.5184 -14.5184 -11.6796 -11.6796 -11.4591 -11.4591 -5.4630 -5.4630 -4.1562 -4.1562 -3.8355 -3.8355 -3.5568 -3.5568 -2.7852 -2.7852 -2.7281 -2.7281 -2.2464 -2.2464 -2.2188 -2.2188 -2.0561 -2.0561 -1.3981 -1.3981 -1.3088 -1.3088 -0.6063 -0.6063 -0.3613 -0.3613 1.1218 1.1218 1.4072 1.4072 2.2567 2.2567 2.4791 2.4791 5.9180 5.9180 6.9506 6.9506 7.2601 7.2601 7.6995 7.6995 k = 0.5506 0.0495-0.0493 ( 4660 PWs) bands (ev): -14.6822 -14.6822 -14.5188 -14.5188 -11.6779 -11.6779 -11.4575 -11.4575 -5.4624 -5.4624 -4.1573 -4.1573 -3.8367 -3.8367 -3.5562 -3.5562 -2.7799 -2.7799 -2.7252 -2.7252 -2.2454 -2.2454 -2.2214 -2.2214 -2.0581 -2.0581 -1.4056 -1.4056 -1.2975 -1.2975 -0.6132 -0.6132 -0.3671 -0.3671 1.1060 1.1060 1.4089 1.4089 2.2438 2.2438 2.4578 2.4578 5.9144 5.9144 6.9483 6.9483 7.2546 7.2546 7.7049 7.7049 k = 0.5570 0.0325-0.0493 ( 4662 PWs) bands (ev): -14.6804 -14.6804 -14.5192 -14.5192 -11.6760 -11.6760 -11.4556 -11.4556 -5.4617 -5.4617 -4.1586 -4.1586 -3.8381 -3.8381 -3.5556 -3.5556 -2.7765 -2.7765 -2.7192 -2.7192 -2.2511 -2.2511 -2.2170 -2.2170 -2.0601 -2.0601 -1.4140 -1.4140 -1.2859 -1.2859 -0.6199 -0.6199 -0.3737 -0.3737 1.0884 1.0884 1.4106 1.4106 2.2295 2.2295 2.4343 2.4343 5.9101 5.9101 6.9452 6.9452 7.2488 7.2488 7.7107 7.7107 k = 0.5633 0.0155-0.0493 ( 4662 PWs) bands (ev): -14.6784 -14.6784 -14.5197 -14.5197 -11.6739 -11.6739 -11.4535 -11.4535 -5.4609 -5.4609 -4.1601 -4.1601 -3.8397 -3.8397 -3.5549 -3.5549 -2.7756 -2.7756 -2.7095 -2.7095 -2.2605 -2.2605 -2.2086 -2.2086 -2.0624 -2.0624 -1.4234 -1.4234 -1.2744 -1.2744 -0.6261 -0.6261 -0.3811 -0.3811 1.0689 1.0689 1.4123 1.4123 2.2139 2.2139 2.4087 2.4087 5.9052 5.9052 6.9413 6.9413 7.2429 7.2429 7.7166 7.7166 k = 0.5696-0.0016-0.0493 ( 4664 PWs) bands (ev): -14.6763 -14.6763 -14.5203 -14.5203 -11.6716 -11.6716 -11.4513 -11.4513 -5.4600 -5.4600 -4.1618 -4.1618 -3.8414 -3.8414 -3.5543 -3.5543 -2.7768 -2.7768 -2.6963 -2.6963 -2.2714 -2.2714 -2.1982 -2.1982 -2.0647 -2.0647 -1.4334 -1.4334 -1.2636 -1.2636 -0.6312 -0.6312 -0.3894 -0.3894 1.0478 1.0478 1.4139 1.4139 2.1973 2.1973 2.3813 2.3813 5.8996 5.8996 6.9365 6.9365 7.2367 7.2367 7.7219 7.7219 k = 0.5759-0.0186-0.0493 ( 4660 PWs) bands (ev): -14.6739 -14.6739 -14.5210 -14.5210 -11.6691 -11.6691 -11.4488 -11.4488 -5.4592 -5.4592 -4.1637 -4.1637 -3.8433 -3.8433 -3.5536 -3.5536 -2.7797 -2.7797 -2.6803 -2.6803 -2.2831 -2.2831 -2.1867 -2.1867 -2.0670 -2.0670 -1.4440 -1.4440 -1.2541 -1.2541 -0.6349 -0.6349 -0.3985 -0.3985 1.0251 1.0251 1.4154 1.4154 2.1797 2.1797 2.3523 2.3523 5.8933 5.8933 6.9307 6.9307 7.2305 7.2305 7.7248 7.7248 k = 0.5823-0.0356-0.0493 ( 4670 PWs) bands (ev): -14.6714 -14.6714 -14.5217 -14.5217 -11.6665 -11.6665 -11.4463 -11.4463 -5.4582 -5.4582 -4.1658 -4.1658 -3.8454 -3.8454 -3.5529 -3.5529 -2.7836 -2.7836 -2.6618 -2.6618 -2.2952 -2.2952 -2.1744 -2.1744 -2.0691 -2.0691 -1.4551 -1.4551 -1.2463 -1.2463 -0.6367 -0.6367 -0.4084 -0.4084 1.0010 1.0010 1.4166 1.4166 2.1612 2.1612 2.3218 2.3218 5.8861 5.8861 6.9239 6.9239 7.2243 7.2243 7.7231 7.7231 k = 0.5886-0.0527-0.0493 ( 4672 PWs) bands (ev): -14.6687 -14.6687 -14.5225 -14.5225 -11.6638 -11.6638 -11.4436 -11.4436 -5.4573 -5.4573 -4.1682 -4.1682 -3.8476 -3.8476 -3.5522 -3.5522 -2.7884 -2.7884 -2.6411 -2.6411 -2.3075 -2.3075 -2.1617 -2.1617 -2.0709 -2.0709 -1.4664 -1.4664 -1.2407 -1.2407 -0.6362 -0.6362 -0.4192 -0.4192 0.9756 0.9756 1.4176 1.4176 2.1420 2.1420 2.2902 2.2902 5.8782 5.8782 6.9159 6.9159 7.2181 7.2181 7.7175 7.7175 k = 0.5949-0.0697-0.0493 ( 4676 PWs) bands (ev): -14.6658 -14.6658 -14.5234 -14.5234 -11.6609 -11.6609 -11.4407 -11.4407 -5.4563 -5.4563 -4.1707 -4.1707 -3.8500 -3.8500 -3.5516 -3.5516 -2.7938 -2.7938 -2.6185 -2.6185 -2.3200 -2.3200 -2.1492 -2.1492 -2.0719 -2.0719 -1.4779 -1.4779 -1.2375 -1.2375 -0.6331 -0.6331 -0.4308 -0.4308 0.9490 0.9490 1.4182 1.4182 2.1222 2.1222 2.2576 2.2576 5.8694 5.8694 6.9069 6.9069 7.2119 7.2119 7.7105 7.7105 k = 0.6013-0.0867-0.0493 ( 4678 PWs) bands (ev): -14.6629 -14.6629 -14.5244 -14.5244 -11.6579 -11.6579 -11.4377 -11.4377 -5.4553 -5.4553 -4.1735 -4.1735 -3.8526 -3.8526 -3.5510 -3.5510 -2.7997 -2.7997 -2.5941 -2.5941 -2.3324 -2.3324 -2.1376 -2.1376 -2.0712 -2.0712 -1.4894 -1.4894 -1.2369 -1.2369 -0.6273 -0.6273 -0.4433 -0.4433 0.9214 0.9214 1.4184 1.4184 2.1018 2.1018 2.2243 2.2243 5.8598 5.8598 6.8969 6.8969 7.2059 7.2059 7.7036 7.7036 k = 0.6076-0.1038-0.0493 ( 4678 PWs) bands (ev): -14.6597 -14.6597 -14.5255 -14.5255 -11.6548 -11.6548 -11.4346 -11.4346 -5.4543 -5.4543 -4.1765 -4.1765 -3.8553 -3.8553 -3.5505 -3.5505 -2.8059 -2.8059 -2.5679 -2.5679 -2.3448 -2.3448 -2.1285 -2.1285 -2.0675 -2.0675 -1.5008 -1.5008 -1.2389 -1.2389 -0.6188 -0.6188 -0.4566 -0.4566 0.8931 0.8931 1.4182 1.4182 2.0811 2.0811 2.1905 2.1905 5.8494 5.8494 6.8857 6.8857 7.2002 7.2002 7.6976 7.6976 k = 0.6139-0.1208-0.0493 ( 4680 PWs) bands (ev): -14.6565 -14.6565 -14.5267 -14.5267 -11.6517 -11.6517 -11.4315 -11.4315 -5.4533 -5.4533 -4.1797 -4.1797 -3.8582 -3.8582 -3.5501 -3.5501 -2.8125 -2.8125 -2.5402 -2.5402 -2.3571 -2.3571 -2.1230 -2.1230 -2.0595 -2.0595 -1.5121 -1.5121 -1.2436 -1.2436 -0.6076 -0.6076 -0.4707 -0.4707 0.8640 0.8640 1.4175 1.4175 2.0599 2.0599 2.1564 2.1564 5.8382 5.8382 6.8735 6.8735 7.1950 7.1950 7.6927 7.6927 k = 0.6203-0.1378-0.0493 ( 4684 PWs) bands (ev): -14.6531 -14.6531 -14.5281 -14.5281 -11.6485 -11.6485 -11.4282 -11.4282 -5.4523 -5.4523 -4.1831 -4.1831 -3.8613 -3.8613 -3.5499 -3.5499 -2.8193 -2.8193 -2.5109 -2.5109 -2.3692 -2.3692 -2.1213 -2.1213 -2.0471 -2.0471 -1.5232 -1.5232 -1.2507 -1.2507 -0.5942 -0.5942 -0.4853 -0.4853 0.8345 0.8345 1.4163 1.4163 2.0385 2.0385 2.1224 2.1224 5.8262 5.8262 6.8603 6.8603 7.1903 7.1903 7.6891 7.6891 k = 0.6266-0.1549-0.0493 ( 4682 PWs) bands (ev): -14.6496 -14.6496 -14.5295 -14.5295 -11.6452 -11.6452 -11.4249 -11.4249 -5.4513 -5.4513 -4.1867 -4.1867 -3.8645 -3.8645 -3.5497 -3.5497 -2.8263 -2.8263 -2.4804 -2.4804 -2.3810 -2.3810 -2.1223 -2.1223 -2.0314 -2.0314 -1.5339 -1.5339 -1.2598 -1.2598 -0.5794 -0.5794 -0.5001 -0.5001 0.8048 0.8048 1.4145 1.4145 2.0167 2.0167 2.0888 2.0888 5.8135 5.8135 6.8462 6.8462 7.1864 7.1864 7.6868 7.6868 k = 0.6329-0.1719-0.0493 ( 4684 PWs) bands (ev): -14.6461 -14.6461 -14.5310 -14.5310 -11.6419 -11.6419 -11.4216 -11.4216 -5.4503 -5.4503 -4.1904 -4.1904 -3.8679 -3.8679 -3.5498 -3.5498 -2.8334 -2.8334 -2.4492 -2.4492 -2.3918 -2.3918 -2.1250 -2.1250 -2.0135 -2.0135 -1.5443 -1.5443 -1.2706 -1.2706 -0.5652 -0.5652 -0.5132 -0.5132 0.7749 0.7749 1.4121 1.4121 1.9945 1.9945 2.0560 2.0560 5.8000 5.8000 6.8312 6.8312 7.1835 7.1835 7.6859 7.6859 k = 0.6392-0.1889-0.0493 ( 4688 PWs) bands (ev): -14.6424 -14.6424 -14.5327 -14.5327 -11.6386 -11.6386 -11.4182 -11.4182 -5.4494 -5.4494 -4.1943 -4.1943 -3.8714 -3.8714 -3.5500 -3.5500 -2.8407 -2.8407 -2.4218 -2.4218 -2.3975 -2.3975 -2.1285 -2.1285 -1.9940 -1.9940 -1.5542 -1.5542 -1.2828 -1.2828 -0.5591 -0.5591 -0.5175 -0.5175 0.7452 0.7452 1.4091 1.4091 1.9716 1.9716 2.0244 2.0244 5.7858 5.7858 6.8156 6.8156 7.1816 7.1816 7.6861 7.6861 k = 0.6456-0.2060-0.0493 ( 4690 PWs) bands (ev): -14.6387 -14.6387 -14.5345 -14.5345 -11.6354 -11.6354 -11.4148 -11.4148 -5.4486 -5.4486 -4.1983 -4.1983 -3.8751 -3.8751 -3.5505 -3.5505 -2.8481 -2.8481 -2.4208 -2.4208 -2.3756 -2.3756 -2.1323 -2.1323 -1.9732 -1.9732 -1.5636 -1.5636 -1.2961 -1.2961 -0.5686 -0.5686 -0.5059 -0.5059 0.7157 0.7157 1.4054 1.4054 1.9475 1.9475 1.9948 1.9948 5.7710 5.7710 6.7994 6.7994 7.1810 7.1810 7.6874 7.6874 k = 0.6519-0.2230-0.0493 ( 4686 PWs) bands (ev): -14.6349 -14.6349 -14.5364 -14.5364 -11.6321 -11.6321 -11.4115 -11.4115 -5.4477 -5.4477 -4.2023 -4.2023 -3.8790 -3.8790 -3.5511 -3.5511 -2.8555 -2.8555 -2.4304 -2.4304 -2.3422 -2.3422 -2.1359 -2.1359 -1.9516 -1.9516 -1.5725 -1.5725 -1.3099 -1.3099 -0.5856 -0.5856 -0.4868 -0.4868 0.6868 0.6868 1.4010 1.4010 1.9220 1.9220 1.9678 1.9678 5.7556 5.7556 6.7829 6.7829 7.1815 7.1815 7.6897 7.6897 k = 0.6582-0.2400-0.0493 ( 4684 PWs) bands (ev): -14.6311 -14.6311 -14.5385 -14.5385 -11.6289 -11.6289 -11.4081 -11.4081 -5.4470 -5.4470 -4.2064 -4.2064 -3.8830 -3.8830 -3.5520 -3.5520 -2.8630 -2.8630 -2.4409 -2.4409 -2.3078 -2.3078 -2.1387 -2.1387 -1.9291 -1.9291 -1.5808 -1.5808 -1.3241 -1.3241 -0.6054 -0.6054 -0.4652 -0.4652 0.6585 0.6585 1.3960 1.3960 1.8950 1.8950 1.9436 1.9436 5.7396 5.7396 6.7663 6.7663 7.1834 7.1834 7.6927 7.6927 k = 0.6646-0.2571-0.0493 ( 4684 PWs) bands (ev): -14.6272 -14.6272 -14.5407 -14.5407 -11.6257 -11.6257 -11.4048 -11.4048 -5.4463 -5.4463 -4.2106 -4.2106 -3.8871 -3.8871 -3.5531 -3.5531 -2.8706 -2.8706 -2.4514 -2.4514 -2.2746 -2.2746 -2.1392 -2.1392 -1.9059 -1.9059 -1.5885 -1.5885 -1.3383 -1.3383 -0.6266 -0.6266 -0.4428 -0.4428 0.6311 0.6311 1.3902 1.3902 1.8671 1.8671 1.9220 1.9220 5.7232 5.7232 6.7498 6.7498 7.1864 7.1864 7.6964 7.6964 k = 0.6709-0.2741-0.0493 ( 4694 PWs) bands (ev): -14.6233 -14.6233 -14.5431 -14.5431 -11.6227 -11.6227 -11.4016 -11.4016 -5.4457 -5.4457 -4.2147 -4.2147 -3.8915 -3.8915 -3.5545 -3.5545 -2.8781 -2.8781 -2.4618 -2.4618 -2.2455 -2.2455 -2.1347 -2.1347 -1.8821 -1.8821 -1.5957 -1.5957 -1.3522 -1.3522 -0.6490 -0.6490 -0.4201 -0.4201 0.6048 0.6048 1.3837 1.3837 1.8391 1.8391 1.9022 1.9022 5.7062 5.7062 6.7336 6.7336 7.1907 7.1907 7.7005 7.7005 k = 0.6772-0.2911-0.0493 ( 4692 PWs) bands (ev): -14.6194 -14.6194 -14.5456 -14.5456 -11.6197 -11.6197 -11.3984 -11.3984 -5.4452 -5.4452 -4.2188 -4.2188 -3.8959 -3.8959 -3.5561 -3.5561 -2.8856 -2.8856 -2.4718 -2.4718 -2.2250 -2.2250 -2.1209 -2.1209 -1.8578 -1.8578 -1.6022 -1.6022 -1.3657 -1.3657 -0.6722 -0.6722 -0.3974 -0.3974 0.5797 0.5797 1.3765 1.3765 1.8116 1.8116 1.8841 1.8841 5.6888 5.6888 6.7180 6.7180 7.1960 7.1960 7.7051 7.7051 k = 0.6835-0.3082-0.0493 ( 4692 PWs) bands (ev): -14.6154 -14.6154 -14.5482 -14.5482 -11.6168 -11.6168 -11.3953 -11.3953 -5.4448 -5.4448 -4.2229 -4.2229 -3.9006 -3.9006 -3.5580 -3.5580 -2.8931 -2.8931 -2.4816 -2.4816 -2.2154 -2.2154 -2.0958 -2.0958 -1.8329 -1.8329 -1.6080 -1.6080 -1.3785 -1.3785 -0.6961 -0.6961 -0.3752 -0.3752 0.5559 0.5559 1.3685 1.3685 1.7851 1.7851 1.8674 1.8674 5.6710 5.6710 6.7032 6.7032 7.2023 7.2023 7.7099 7.7099 k = 0.6899-0.3252-0.0493 ( 4696 PWs) bands (ev): -14.6115 -14.6115 -14.5510 -14.5510 -11.6141 -11.6141 -11.3922 -11.3922 -5.4445 -5.4445 -4.2269 -4.2269 -3.9054 -3.9054 -3.5602 -3.5602 -2.9006 -2.9006 -2.4910 -2.4910 -2.2137 -2.2137 -2.0625 -2.0625 -1.8076 -1.8076 -1.6131 -1.6131 -1.3904 -1.3904 -0.7206 -0.7206 -0.3537 -0.3537 0.5336 0.5336 1.3598 1.3598 1.7597 1.7597 1.8519 1.8519 5.6528 5.6528 6.6893 6.6893 7.2093 7.2093 7.7149 7.7149 k = 0.6962-0.3422-0.0493 ( 4698 PWs) bands (ev): -14.6076 -14.6076 -14.5540 -14.5540 -11.6114 -11.6114 -11.3894 -11.3894 -5.4442 -5.4442 -4.2308 -4.2308 -3.9103 -3.9103 -3.5627 -3.5627 -2.9081 -2.9081 -2.5001 -2.5001 -2.2162 -2.2162 -2.0249 -2.0249 -1.7820 -1.7820 -1.6172 -1.6172 -1.4013 -1.4013 -0.7456 -0.7456 -0.3330 -0.3330 0.5130 0.5130 1.3504 1.3504 1.7359 1.7359 1.8377 1.8377 5.6343 5.6343 6.6766 6.6766 7.2170 7.2170 7.7199 7.7199 k = 0.7025-0.3593-0.0493 ( 4692 PWs) bands (ev): -14.6037 -14.6037 -14.5570 -14.5570 -11.6089 -11.6089 -11.3866 -11.3866 -5.4441 -5.4441 -4.2345 -4.2345 -3.9154 -3.9154 -3.5655 -3.5655 -2.9154 -2.9154 -2.5088 -2.5088 -2.2208 -2.2208 -1.9856 -1.9856 -1.7560 -1.7560 -1.6201 -1.6201 -1.4110 -1.4110 -0.7707 -0.7707 -0.3135 -0.3135 0.4940 0.4940 1.3403 1.3403 1.7137 1.7137 1.8246 1.8246 5.6155 5.6155 6.6651 6.6651 7.2250 7.2250 7.7250 7.7250 k = 0.7089-0.3763-0.0493 ( 4692 PWs) bands (ev): -14.5998 -14.5998 -14.5603 -14.5603 -11.6066 -11.6066 -11.3839 -11.3839 -5.4442 -5.4442 -4.2382 -4.2382 -3.9206 -3.9206 -3.5686 -3.5686 -2.9228 -2.9228 -2.5172 -2.5172 -2.2266 -2.2266 -1.9459 -1.9459 -1.7300 -1.7300 -1.6214 -1.6214 -1.4195 -1.4195 -0.7959 -0.7959 -0.2952 -0.2952 0.4769 0.4769 1.3295 1.3295 1.6934 1.6934 1.8128 1.8128 5.5965 5.5965 6.6551 6.6551 7.2333 7.2333 7.7301 7.7301 k = 0.7152-0.3933-0.0493 ( 4690 PWs) bands (ev): -14.5960 -14.5960 -14.5637 -14.5637 -11.6045 -11.6045 -11.3815 -11.3815 -5.4443 -5.4443 -4.2416 -4.2416 -3.9260 -3.9260 -3.5720 -3.5720 -2.9301 -2.9301 -2.5252 -2.5252 -2.2330 -2.2330 -1.9072 -1.9072 -1.7043 -1.7043 -1.6201 -1.6201 -1.4265 -1.4265 -0.8210 -0.8210 -0.2785 -0.2785 0.4616 0.4616 1.3180 1.3180 1.6750 1.6750 1.8021 1.8021 5.5771 5.5771 6.6467 6.6467 7.2416 7.2416 7.7352 7.7352 k = 0.2848-0.7665 0.0000 ( 4690 PWs) bands (ev): -14.5960 -14.5960 -14.5637 -14.5637 -11.6045 -11.6045 -11.3815 -11.3815 -5.4443 -5.4443 -4.2416 -4.2416 -3.9260 -3.9260 -3.5720 -3.5720 -2.9301 -2.9301 -2.5252 -2.5252 -2.2330 -2.2330 -1.9072 -1.9072 -1.7043 -1.7043 -1.6201 -1.6201 -1.4265 -1.4265 -0.8210 -0.8210 -0.2785 -0.2785 0.4616 0.4616 1.3180 1.3180 1.6750 1.6750 1.8021 1.8021 5.5771 5.5771 6.6467 6.6467 7.2416 7.2416 7.7352 7.7352 k = 0.2785-0.7495-0.0000 ( 4688 PWs) bands (ev): -14.5922 -14.5922 -14.5672 -14.5672 -11.6025 -11.6025 -11.3791 -11.3791 -5.4446 -5.4446 -4.2449 -4.2449 -3.9315 -3.9315 -3.5756 -3.5756 -2.9373 -2.9373 -2.5329 -2.5329 -2.2399 -2.2399 -1.8707 -1.8707 -1.6797 -1.6797 -1.6147 -1.6147 -1.4319 -1.4319 -0.8456 -0.8456 -0.2633 -0.2633 0.4483 0.4483 1.3058 1.3058 1.6588 1.6588 1.7928 1.7928 5.5576 5.5576 6.6398 6.6398 7.2496 7.2496 7.7402 7.7402 k = 0.2722-0.7324 0.0000 ( 4688 PWs) bands (ev): -14.5885 -14.5885 -14.5709 -14.5709 -11.6007 -11.6007 -11.3770 -11.3770 -5.4450 -5.4450 -4.2479 -4.2479 -3.9371 -3.9371 -3.5796 -3.5796 -2.9444 -2.9444 -2.5401 -2.5401 -2.2470 -2.2470 -1.8380 -1.8380 -1.6581 -1.6581 -1.6024 -1.6024 -1.4357 -1.4357 -0.8696 -0.8696 -0.2499 -0.2499 0.4370 0.4370 1.2931 1.2931 1.6449 1.6449 1.7846 1.7846 5.5378 5.5378 6.6347 6.6347 7.2571 7.2571 7.7451 7.7451 k = 0.2658-0.7154 0.0000 ( 4684 PWs) bands (ev): -14.5849 -14.5849 -14.5747 -14.5747 -11.5990 -11.5990 -11.3750 -11.3750 -5.4455 -5.4455 -4.2508 -4.2508 -3.9428 -3.9428 -3.5839 -3.5839 -2.9515 -2.9515 -2.5470 -2.5470 -2.2542 -2.2542 -1.8107 -1.8107 -1.6400 -1.6400 -1.5815 -1.5815 -1.4375 -1.4375 -0.8926 -0.8926 -0.2385 -0.2385 0.4277 0.4277 1.2797 1.2797 1.6333 1.6333 1.7778 1.7778 5.5179 5.5179 6.6313 6.6313 7.2640 7.2640 7.7500 7.7500 k = 0.2595-0.6984-0.0000 ( 4686 PWs) bands (ev): -14.5813 -14.5813 -14.5786 -14.5786 -11.5976 -11.5976 -11.3731 -11.3731 -5.4462 -5.4462 -4.2534 -4.2534 -3.9487 -3.9487 -3.5885 -3.5885 -2.9585 -2.9585 -2.5536 -2.5536 -2.2615 -2.2615 -1.7899 -1.7899 -1.6235 -1.6235 -1.5535 -1.5535 -1.4370 -1.4370 -0.9143 -0.9143 -0.2290 -0.2290 0.4204 0.4204 1.2658 1.2658 1.6242 1.6242 1.7722 1.7722 5.4977 5.4977 6.6296 6.6296 7.2701 7.2701 7.7548 7.7548 k = 0.2532-0.6813-0.0000 ( 4684 PWs) bands (ev): -14.5827 -14.5827 -14.5778 -14.5778 -11.5964 -11.5964 -11.3715 -11.3715 -5.4470 -5.4470 -4.2558 -4.2558 -3.9547 -3.9547 -3.5934 -3.5934 -2.9654 -2.9654 -2.5599 -2.5599 -2.2688 -2.2688 -1.7761 -1.7761 -1.6064 -1.6064 -1.5210 -1.5210 -1.4337 -1.4337 -0.9345 -0.9345 -0.2217 -0.2217 0.4152 0.4152 1.2513 1.2513 1.6176 1.6176 1.7679 1.7679 5.4774 5.4774 6.6296 6.6296 7.2753 7.2753 7.7596 7.7596 k = 0.2468-0.6643 0.0000 ( 4688 PWs) bands (ev): -14.5869 -14.5869 -14.5744 -14.5744 -11.5954 -11.5954 -11.3701 -11.3701 -5.4480 -5.4480 -4.2580 -4.2580 -3.9607 -3.9607 -3.5986 -3.5986 -2.9722 -2.9722 -2.5659 -2.5659 -2.2761 -2.2761 -1.7682 -1.7682 -1.5886 -1.5886 -1.4867 -1.4867 -1.4263 -1.4263 -0.9527 -0.9527 -0.2165 -0.2165 0.4121 0.4121 1.2363 1.2363 1.6136 1.6136 1.7648 1.7648 5.4570 5.4570 6.6313 6.6313 7.2795 7.2795 7.7644 7.7644 k = 0.2405-0.6473 0.0000 ( 4694 PWs) bands (ev): -14.5912 -14.5912 -14.5710 -14.5710 -11.5946 -11.5946 -11.3688 -11.3688 -5.4491 -5.4491 -4.2599 -4.2599 -3.9669 -3.9669 -3.6041 -3.6041 -2.9790 -2.9790 -2.5716 -2.5716 -2.2834 -2.2834 -1.7649 -1.7649 -1.5712 -1.5712 -1.4543 -1.4543 -1.4118 -1.4118 -0.9687 -0.9687 -0.2135 -0.2135 0.4110 0.4110 1.2208 1.2208 1.6122 1.6122 1.7630 1.7630 5.4364 5.4364 6.6347 6.6347 7.2826 7.2826 7.7693 7.7693 k = 0.2342-0.6302-0.0000 ( 4694 PWs) bands (ev): -14.5957 -14.5957 -14.5678 -14.5678 -11.5939 -11.5939 -11.3678 -11.3678 -5.4503 -5.4503 -4.2616 -4.2616 -3.9731 -3.9731 -3.6100 -3.6100 -2.9856 -2.9856 -2.5771 -2.5771 -2.2905 -2.2905 -1.7649 -1.7649 -1.5550 -1.5550 -1.4294 -1.4294 -1.3855 -1.3855 -0.9821 -0.9821 -0.2128 -0.2128 0.4121 0.4121 1.2048 1.2048 1.6134 1.6134 1.7624 1.7624 5.4158 5.4158 6.6396 6.6396 7.2847 7.2847 7.7743 7.7743 k = 0.2278-0.6132-0.0000 ( 4700 PWs) bands (ev): -14.6002 -14.6002 -14.5647 -14.5647 -11.5935 -11.5935 -11.3670 -11.3670 -5.4517 -5.4517 -4.2631 -4.2631 -3.9794 -3.9794 -3.6161 -3.6161 -2.9922 -2.9922 -2.5825 -2.5825 -2.2976 -2.2976 -1.7672 -1.7672 -1.5406 -1.5406 -1.4101 -1.4101 -1.3501 -1.3501 -0.9923 -0.9923 -0.2143 -0.2143 0.4153 0.4153 1.1885 1.1885 1.6173 1.6173 1.7630 1.7630 5.3950 5.3950 6.6459 6.6459 7.2859 7.2859 7.7795 7.7795 k = 0.2215-0.5962 0.0000 ( 4708 PWs) bands (ev): -14.6048 -14.6048 -14.5617 -14.5617 -11.5933 -11.5933 -11.3663 -11.3663 -5.4532 -5.4532 -4.2643 -4.2643 -3.9857 -3.9857 -3.6226 -3.6226 -2.9987 -2.9987 -2.5877 -2.5877 -2.3044 -2.3044 -1.7711 -1.7711 -1.5280 -1.5280 -1.3913 -1.3913 -1.3121 -1.3121 -0.9990 -0.9990 -0.2180 -0.2180 0.4207 0.4207 1.1717 1.1717 1.6239 1.6239 1.7648 1.7648 5.3741 5.3741 6.6536 6.6536 7.2862 7.2862 7.7849 7.7849 k = 0.2152-0.5791-0.0000 ( 4704 PWs) bands (ev): -14.6095 -14.6095 -14.5588 -14.5588 -11.5933 -11.5933 -11.3658 -11.3658 -5.4548 -5.4548 -4.2654 -4.2654 -3.9920 -3.9920 -3.6294 -3.6294 -3.0051 -3.0051 -2.5929 -2.5929 -2.3111 -2.3111 -1.7763 -1.7763 -1.5167 -1.5167 -1.3715 -1.3715 -1.2744 -1.2744 -1.0014 -1.0014 -0.2238 -0.2238 0.4283 0.4283 1.1546 1.1546 1.6329 1.6329 1.7678 1.7678 5.3532 5.3532 6.6624 6.6624 7.2858 7.2858 7.7907 7.7907 k = 0.2089-0.5621-0.0000 ( 4706 PWs) bands (ev): -14.6142 -14.6142 -14.5560 -14.5560 -11.5934 -11.5934 -11.3656 -11.3656 -5.4566 -5.4566 -4.2662 -4.2662 -3.9983 -3.9983 -3.6365 -3.6365 -3.0114 -3.0114 -2.5981 -2.5981 -2.3174 -2.3174 -1.7824 -1.7824 -1.5062 -1.5062 -1.3505 -1.3505 -1.2390 -1.2390 -0.9990 -0.9990 -0.2317 -0.2317 0.4380 0.4380 1.1371 1.1371 1.6444 1.6444 1.7718 1.7718 5.3323 5.3323 6.6722 6.6722 7.2847 7.2847 7.7969 7.7969 k = 0.2025-0.5451 0.0000 ( 4704 PWs) bands (ev): -14.6190 -14.6190 -14.5533 -14.5533 -11.5937 -11.5937 -11.3655 -11.3655 -5.4584 -5.4584 -4.2669 -4.2669 -4.0046 -4.0046 -3.6439 -3.6439 -3.0176 -3.0176 -2.6035 -2.6035 -2.3234 -2.3234 -1.7892 -1.7892 -1.4961 -1.4961 -1.3287 -1.3287 -1.2069 -1.2069 -0.9909 -0.9909 -0.2415 -0.2415 0.4501 0.4501 1.1194 1.1194 1.6583 1.6583 1.7769 1.7769 5.3113 5.3113 6.6829 6.6829 7.2832 7.2832 7.8038 7.8038 k = 0.1962-0.5280 0.0000 ( 4704 PWs) bands (ev): -14.6239 -14.6239 -14.5507 -14.5507 -11.5942 -11.5942 -11.3656 -11.3656 -5.4605 -5.4605 -4.2674 -4.2674 -4.0108 -4.0108 -3.6517 -3.6517 -3.0237 -3.0237 -2.6089 -2.6089 -2.3289 -2.3289 -1.7964 -1.7964 -1.4859 -1.4859 -1.3064 -1.3064 -1.1793 -1.1793 -0.9767 -0.9767 -0.2532 -0.2532 0.4644 0.4644 1.1014 1.1014 1.6743 1.6743 1.7831 1.7831 5.2904 5.2904 6.6941 6.6941 7.2813 7.2813 7.8113 7.8113 k = 0.1899-0.5110-0.0000 ( 4700 PWs) bands (ev): -14.6288 -14.6288 -14.5483 -14.5483 -11.5949 -11.5949 -11.3658 -11.3658 -5.4626 -5.4626 -4.2678 -4.2678 -4.0169 -4.0169 -3.6597 -3.6597 -3.0298 -3.0298 -2.6146 -2.6146 -2.3340 -2.3340 -1.8040 -1.8040 -1.4755 -1.4755 -1.2838 -1.2838 -1.1561 -1.1561 -0.9567 -0.9567 -0.2667 -0.2667 0.4810 0.4810 1.0833 1.0833 1.6923 1.6923 1.7903 1.7903 5.2694 5.2694 6.7057 6.7057 7.2792 7.2792 7.8198 7.8198 k = 0.1835-0.4940-0.0000 ( 4700 PWs) bands (ev): -14.6337 -14.6337 -14.5459 -14.5459 -11.5957 -11.5957 -11.3662 -11.3662 -5.4648 -5.4648 -4.2681 -4.2681 -4.0228 -4.0228 -3.6681 -3.6681 -3.0358 -3.0358 -2.6205 -2.6205 -2.3385 -2.3385 -1.8117 -1.8117 -1.4646 -1.4646 -1.2612 -1.2612 -1.1369 -1.1369 -0.9318 -0.9318 -0.2817 -0.2817 0.5000 0.5000 1.0650 1.0650 1.7118 1.7118 1.7987 1.7987 5.2485 5.2485 6.7175 6.7175 7.2769 7.2769 7.8292 7.8292 k = 0.1772-0.4769 0.0000 ( 4700 PWs) bands (ev): -14.6386 -14.6386 -14.5437 -14.5437 -11.5967 -11.5967 -11.3668 -11.3668 -5.4671 -5.4671 -4.2684 -4.2684 -4.0286 -4.0286 -3.6767 -3.6767 -3.0417 -3.0417 -2.6267 -2.6267 -2.3423 -2.3423 -1.8194 -1.8194 -1.4530 -1.4530 -1.2388 -1.2388 -1.1204 -1.1204 -0.9035 -0.9035 -0.2981 -0.2981 0.5214 0.5214 1.0466 1.0466 1.7325 1.7325 1.8085 1.8085 5.2277 5.2277 6.7291 6.7291 7.2745 7.2745 7.8399 7.8399 k = 0.1709-0.4599-0.0000 ( 4700 PWs) bands (ev): -14.6435 -14.6435 -14.5416 -14.5416 -11.5978 -11.5978 -11.3675 -11.3675 -5.4695 -5.4695 -4.2686 -4.2686 -4.0342 -4.0342 -3.6857 -3.6857 -3.0475 -3.0475 -2.6333 -2.6333 -2.3454 -2.3454 -1.8271 -1.8271 -1.4409 -1.4409 -1.2166 -1.2166 -1.1054 -1.1054 -0.8734 -0.8734 -0.3158 -0.3158 0.5451 0.5451 1.0281 1.0281 1.7535 1.7535 1.8202 1.8202 5.2070 5.2070 6.7405 6.7405 7.2721 7.2721 7.8518 7.8518 k = 0.1646-0.4429-0.0000 ( 4696 PWs) bands (ev): -14.6484 -14.6484 -14.5396 -14.5396 -11.5990 -11.5990 -11.3684 -11.3684 -5.4720 -5.4720 -4.2688 -4.2688 -4.0394 -4.0394 -3.6949 -3.6949 -3.0533 -3.0533 -2.6401 -2.6401 -2.3478 -2.3478 -1.8345 -1.8345 -1.4280 -1.4280 -1.1947 -1.1947 -1.0911 -1.0911 -0.8426 -0.8426 -0.3347 -0.3347 0.5713 0.5713 1.0096 1.0096 1.7737 1.7737 1.8347 1.8347 5.1863 5.1863 6.7513 6.7513 7.2698 7.2698 7.8652 7.8652 k = 0.1582-0.4258-0.0000 ( 4702 PWs) bands (ev): -14.6533 -14.6533 -14.5377 -14.5377 -11.6003 -11.6003 -11.3694 -11.3694 -5.4746 -5.4746 -4.2691 -4.2691 -4.0444 -4.0444 -3.7044 -3.7044 -3.0591 -3.0591 -2.6472 -2.6472 -2.3493 -2.3493 -1.8416 -1.8416 -1.4145 -1.4145 -1.1734 -1.1734 -1.0770 -1.0770 -0.8121 -0.8121 -0.3544 -0.3544 0.5998 0.5998 0.9912 0.9912 1.7917 1.7917 1.8530 1.8530 5.1658 5.1658 6.7613 6.7613 7.2675 7.2675 7.8801 7.8801 k = 0.1519-0.4088-0.0000 ( 4702 PWs) bands (ev): -14.6581 -14.6581 -14.5359 -14.5359 -11.6017 -11.6017 -11.3705 -11.3705 -5.4772 -5.4772 -4.2694 -4.2694 -4.0490 -4.0490 -3.7141 -3.7141 -3.0648 -3.0648 -2.6546 -2.6546 -2.3501 -2.3501 -1.8484 -1.8484 -1.4004 -1.4004 -1.1525 -1.1525 -1.0625 -1.0625 -0.7824 -0.7824 -0.3749 -0.3749 0.6306 0.6306 0.9729 0.9729 1.8068 1.8068 1.8757 1.8757 5.1455 5.1455 6.7704 6.7704 7.2652 7.2652 7.8966 7.8966 k = 0.1456-0.3918-0.0000 ( 4700 PWs) bands (ev): -14.6629 -14.6629 -14.5343 -14.5343 -11.6032 -11.6032 -11.3717 -11.3717 -5.4798 -5.4798 -4.2699 -4.2699 -4.0531 -4.0531 -3.7240 -3.7240 -3.0704 -3.0704 -2.6622 -2.6622 -2.3500 -2.3500 -1.8548 -1.8548 -1.3858 -1.3858 -1.1321 -1.1321 -1.0477 -1.0477 -0.7540 -0.7540 -0.3960 -0.3960 0.6636 0.6636 0.9548 0.9548 1.8192 1.8192 1.9020 1.9020 5.1254 5.1254 6.7783 6.7783 7.2629 7.2629 7.9148 7.9148 k = 0.1392-0.3747-0.0000 ( 4704 PWs) bands (ev): -14.6676 -14.6676 -14.5327 -14.5327 -11.6048 -11.6048 -11.3729 -11.3729 -5.4826 -5.4826 -4.2706 -4.2706 -4.0568 -4.0568 -3.7341 -3.7341 -3.0760 -3.0760 -2.6699 -2.6699 -2.3491 -2.3491 -1.8608 -1.8608 -1.3707 -1.3707 -1.1124 -1.1124 -1.0323 -1.0323 -0.7272 -0.7272 -0.4174 -0.4174 0.6988 0.6988 0.9370 0.9370 1.8297 1.8297 1.9310 1.9310 5.1056 5.1056 6.7850 6.7850 7.2606 7.2606 7.9345 7.9345 k = 0.1329-0.3577-0.0000 ( 4700 PWs) bands (ev): -14.6722 -14.6722 -14.5313 -14.5313 -11.6065 -11.6065 -11.3743 -11.3743 -5.4853 -5.4853 -4.2715 -4.2715 -4.0600 -4.0600 -3.7444 -3.7444 -3.0815 -3.0815 -2.6777 -2.6777 -2.3474 -2.3474 -1.8663 -1.8663 -1.3553 -1.3553 -1.0933 -1.0933 -1.0165 -1.0165 -0.7022 -0.7022 -0.4390 -0.4390 0.7357 0.7357 0.9196 0.9196 1.8388 1.8388 1.9618 1.9618 5.0860 5.0860 6.7904 6.7904 7.2583 7.2583 7.9557 7.9557 k = 0.1266-0.3407-0.0000 ( 4692 PWs) bands (ev): -14.6767 -14.6767 -14.5299 -14.5299 -11.6081 -11.6081 -11.3757 -11.3757 -5.4880 -5.4880 -4.2725 -4.2725 -4.0626 -4.0626 -3.7548 -3.7548 -3.0870 -3.0870 -2.6854 -2.6854 -2.3450 -2.3450 -1.8713 -1.8713 -1.3396 -1.3396 -1.0748 -1.0748 -1.0002 -1.0002 -0.6792 -0.6792 -0.4605 -0.4605 0.7741 0.7741 0.9030 0.9030 1.8466 1.8466 1.9939 1.9939 5.0668 5.0668 6.7944 6.7944 7.2558 7.2558 7.9779 7.9779 k = 0.1203-0.3236 0.0000 ( 4696 PWs) bands (ev): -14.6811 -14.6811 -14.5287 -14.5287 -11.6098 -11.6098 -11.3771 -11.3771 -5.4907 -5.4907 -4.2739 -4.2739 -4.0647 -4.0647 -3.7653 -3.7653 -3.0924 -3.0924 -2.6931 -2.6931 -2.3420 -2.3420 -1.8760 -1.8760 -1.3238 -1.3238 -1.0570 -1.0570 -0.9836 -0.9836 -0.6584 -0.6584 -0.4815 -0.4815 0.8126 0.8126 0.8883 0.8883 1.8533 1.8533 2.0267 2.0267 5.0480 5.0480 6.7969 6.7969 7.2531 7.2531 8.0001 8.0001 k = 0.1139-0.3066 0.0000 ( 4690 PWs) bands (ev): -14.6853 -14.6853 -14.5275 -14.5275 -11.6115 -11.6115 -11.3786 -11.3786 -5.4934 -5.4934 -4.2754 -4.2754 -4.0662 -4.0662 -3.7759 -3.7759 -3.0977 -3.0977 -2.7005 -2.7005 -2.3383 -2.3383 -1.8802 -1.8802 -1.3081 -1.3081 -1.0399 -1.0399 -0.9668 -0.9668 -0.6400 -0.6400 -0.5018 -0.5018 0.8429 0.8429 0.8837 0.8837 1.8590 1.8590 2.0601 2.0601 5.0295 5.0295 6.7980 6.7980 7.2501 7.2501 8.0195 8.0195 k = 0.1076-0.2896-0.0000 ( 4686 PWs) bands (ev): -14.6894 -14.6894 -14.5264 -14.5264 -11.6132 -11.6132 -11.3801 -11.3801 -5.4961 -5.4961 -4.2772 -4.2772 -4.0670 -4.0670 -3.7865 -3.7865 -3.1029 -3.1029 -2.7077 -2.7077 -2.3341 -2.3341 -1.8839 -1.8839 -1.2925 -1.2925 -1.0234 -1.0234 -0.9498 -0.9498 -0.6246 -0.6246 -0.5205 -0.5205 0.8425 0.8425 0.9115 0.9115 1.8635 1.8635 2.0937 2.0937 5.0116 5.0116 6.7978 6.7978 7.2469 7.2469 8.0282 8.0282 k = 0.1013-0.2725 0.0000 ( 4686 PWs) bands (ev): -14.6934 -14.6934 -14.5254 -14.5254 -11.6149 -11.6149 -11.3816 -11.3816 -5.4987 -5.4987 -4.2793 -4.2793 -4.0673 -4.0673 -3.7971 -3.7971 -3.1080 -3.1080 -2.7146 -2.7146 -2.3295 -2.3295 -1.8873 -1.8873 -1.2772 -1.2772 -1.0078 -1.0078 -0.9328 -0.9328 -0.6133 -0.6133 -0.5362 -0.5362 0.8297 0.8297 0.9533 0.9533 1.8667 1.8667 2.1271 2.1271 4.9941 4.9941 6.7964 6.7964 7.2433 7.2433 8.0226 8.0226 k = 0.0949-0.2555 0.0000 ( 4688 PWs) bands (ev): -14.6971 -14.6971 -14.5245 -14.5245 -11.6166 -11.6166 -11.3830 -11.3830 -5.5013 -5.5013 -4.2815 -4.2815 -4.0670 -4.0670 -3.8076 -3.8076 -3.1130 -3.1130 -2.7212 -2.7212 -2.3245 -2.3245 -1.8903 -1.8903 -1.2625 -1.2625 -0.9928 -0.9928 -0.9159 -0.9159 -0.6088 -0.6088 -0.5460 -0.5460 0.8154 0.8154 0.9979 0.9979 1.8685 1.8685 2.1602 2.1602 4.9773 4.9773 6.7938 6.7938 7.2394 7.2394 8.0111 8.0111 k = 0.0886-0.2385 0.0000 ( 4682 PWs) bands (ev): -14.7007 -14.7007 -14.5237 -14.5237 -11.6182 -11.6182 -11.3845 -11.3845 -5.5038 -5.5038 -4.2839 -4.2839 -4.0662 -4.0662 -3.8180 -3.8180 -3.1178 -3.1178 -2.7273 -2.7273 -2.3193 -2.3193 -1.8930 -1.8930 -1.2483 -1.2483 -0.9786 -0.9786 -0.8993 -0.8993 -0.6132 -0.6132 -0.5476 -0.5476 0.8012 0.8012 1.0436 1.0436 1.8689 1.8689 2.1928 2.1928 4.9611 4.9611 6.7902 6.7902 7.2350 7.2350 7.9988 7.9988 k = 0.0823-0.2214 0.0000 ( 4684 PWs) bands (ev): -14.7041 -14.7041 -14.5230 -14.5230 -11.6198 -11.6198 -11.3859 -11.3859 -5.5062 -5.5062 -4.2864 -4.2864 -4.0648 -4.0648 -3.8283 -3.8283 -3.1224 -3.1224 -2.7331 -2.7331 -2.3139 -2.3139 -1.8953 -1.8953 -1.2349 -1.2349 -0.9653 -0.9653 -0.8830 -0.8830 -0.6241 -0.6241 -0.5433 -0.5433 0.7875 0.7875 1.0898 1.0898 1.8678 1.8678 2.2244 2.2244 4.9456 4.9456 6.7858 6.7858 7.2304 7.2304 7.9873 7.9873 k = 0.0759-0.2044-0.0000 ( 4668 PWs) bands (ev): -14.7073 -14.7073 -14.5223 -14.5223 -11.6213 -11.6213 -11.3872 -11.3872 -5.5085 -5.5085 -4.2890 -4.2890 -4.0629 -4.0629 -3.8383 -3.8383 -3.1268 -3.1268 -2.7383 -2.7383 -2.3083 -2.3083 -1.8974 -1.8974 -1.2224 -1.2224 -0.9527 -0.9527 -0.8672 -0.8672 -0.6376 -0.6376 -0.5366 -0.5366 0.7744 0.7744 1.1361 1.1361 1.8651 1.8651 2.2550 2.2550 4.9309 4.9309 6.7808 6.7808 7.2255 7.2255 7.9770 7.9770 k = 0.0696-0.1874-0.0000 ( 4674 PWs) bands (ev): -14.7103 -14.7103 -14.5217 -14.5217 -11.6227 -11.6227 -11.3885 -11.3885 -5.5106 -5.5106 -4.2916 -4.2916 -4.0607 -4.0607 -3.8481 -3.8481 -3.1310 -3.1310 -2.7432 -2.7432 -2.3028 -2.3028 -1.8992 -1.8992 -1.2109 -1.2109 -0.9410 -0.9410 -0.8521 -0.8521 -0.6514 -0.6514 -0.5295 -0.5295 0.7620 0.7620 1.1822 1.1822 1.8607 1.8607 2.2843 2.2843 4.9171 4.9171 6.7752 6.7752 7.2203 7.2203 7.9682 7.9682 k = 0.0633-0.1703-0.0000 ( 4676 PWs) bands (ev): -14.7130 -14.7130 -14.5212 -14.5212 -11.6241 -11.6241 -11.3898 -11.3898 -5.5126 -5.5126 -4.2942 -4.2942 -4.0580 -4.0580 -3.8576 -3.8576 -3.1349 -3.1349 -2.7476 -2.7476 -2.2974 -2.2974 -1.9007 -1.9007 -1.2005 -1.2005 -0.9300 -0.9300 -0.8377 -0.8377 -0.6647 -0.6647 -0.5229 -0.5229 0.7504 0.7504 1.2277 1.2277 1.8545 1.8545 2.3119 2.3119 4.9042 4.9042 6.7694 6.7694 7.2150 7.2150 7.9607 7.9607 k = 0.0570-0.1533-0.0000 ( 4672 PWs) bands (ev): -14.7155 -14.7155 -14.5207 -14.5207 -11.6253 -11.6253 -11.3909 -11.3909 -5.5145 -5.5145 -4.2967 -4.2967 -4.0551 -4.0551 -3.8667 -3.8667 -3.1385 -3.1385 -2.7515 -2.7515 -2.2921 -2.2921 -1.9020 -1.9020 -1.1913 -1.1913 -0.9200 -0.9200 -0.8242 -0.8242 -0.6770 -0.6770 -0.5169 -0.5169 0.7397 0.7397 1.2724 1.2724 1.8465 1.8465 2.3378 2.3378 4.8922 4.8922 6.7634 6.7634 7.2097 7.2097 7.9546 7.9546 k = 0.0506-0.1363 0.0000 ( 4674 PWs) bands (ev): -14.7178 -14.7178 -14.5203 -14.5203 -11.6265 -11.6265 -11.3919 -11.3919 -5.5162 -5.5162 -4.2991 -4.2991 -4.0520 -4.0520 -3.8754 -3.8754 -3.1418 -3.1418 -2.7550 -2.7550 -2.2871 -2.2871 -1.9032 -1.9032 -1.1833 -1.1833 -0.9108 -0.9108 -0.8118 -0.8118 -0.6881 -0.6881 -0.5116 -0.5116 0.7300 0.7300 1.3159 1.3159 1.8368 1.8368 2.3617 2.3617 4.8813 4.8813 6.7575 6.7575 7.2045 7.2045 7.9497 7.9497 k = 0.0443-0.1192-0.0000 ( 4676 PWs) bands (ev): -14.7199 -14.7199 -14.5199 -14.5199 -11.6275 -11.6275 -11.3929 -11.3929 -5.5178 -5.5178 -4.3013 -4.3013 -4.0487 -4.0487 -3.8834 -3.8834 -3.1448 -3.1448 -2.7580 -2.7580 -2.2825 -2.2825 -1.9041 -1.9041 -1.1764 -1.1764 -0.9025 -0.9025 -0.8006 -0.8006 -0.6978 -0.6978 -0.5072 -0.5072 0.7212 0.7212 1.3578 1.3578 1.8254 1.8254 2.3834 2.3834 4.8715 4.8715 6.7518 6.7518 7.1995 7.1995 7.9459 7.9459 k = 0.0380-0.1022-0.0000 ( 4674 PWs) bands (ev): -14.7216 -14.7216 -14.5196 -14.5196 -11.6284 -11.6284 -11.3937 -11.3937 -5.5191 -5.5191 -4.3033 -4.3033 -4.0455 -4.0455 -3.8909 -3.8909 -3.1474 -3.1474 -2.7606 -2.7606 -2.2783 -2.2783 -1.9049 -1.9049 -1.1708 -1.1708 -0.8951 -0.8951 -0.7907 -0.7907 -0.7060 -0.7060 -0.5034 -0.5034 0.7135 0.7135 1.3979 1.3979 1.8124 1.8124 2.4026 2.4026 4.8629 4.8629 6.7466 6.7466 7.1949 7.1949 7.9429 7.9429 k = 0.0316-0.0852-0.0000 ( 4673 PWs) bands (ev): -14.7231 -14.7231 -14.5193 -14.5193 -11.6292 -11.6292 -11.3944 -11.3944 -5.5203 -5.5203 -4.3051 -4.3051 -4.0424 -4.0424 -3.8976 -3.8976 -3.1496 -3.1496 -2.7628 -2.7628 -2.2746 -2.2746 -1.9055 -1.9055 -1.1662 -1.1662 -0.8887 -0.8887 -0.7823 -0.7823 -0.7129 -0.7129 -0.5003 -0.5003 0.7069 0.7069 1.4355 1.4355 1.7980 1.7980 2.4191 2.4191 4.8555 4.8555 6.7418 6.7418 7.1908 7.1908 7.9407 7.9407 k = 0.0253-0.0681-0.0000 ( 4675 PWs) bands (ev): -14.7244 -14.7244 -14.5191 -14.5191 -11.6298 -11.6298 -11.3950 -11.3950 -5.5213 -5.5213 -4.3065 -4.3065 -4.0395 -4.0395 -3.9033 -3.9033 -3.1515 -3.1515 -2.7646 -2.7646 -2.2715 -2.2715 -1.9060 -1.9060 -1.1626 -1.1626 -0.8834 -0.8834 -0.7754 -0.7754 -0.7182 -0.7182 -0.4979 -0.4979 0.7014 0.7014 1.4700 1.4700 1.7829 1.7829 2.4329 2.4329 4.8494 4.8494 6.7378 6.7378 7.1873 7.1873 7.9392 7.9392 k = 0.0190-0.0511-0.0000 ( 4677 PWs) bands (ev): -14.7254 -14.7254 -14.5190 -14.5190 -11.6303 -11.6303 -11.3955 -11.3955 -5.5220 -5.5220 -4.3077 -4.3077 -4.0370 -4.0370 -3.9081 -3.9081 -3.1530 -3.1530 -2.7660 -2.7660 -2.2690 -2.2690 -1.9063 -1.9063 -1.1599 -1.1599 -0.8791 -0.8791 -0.7702 -0.7702 -0.7222 -0.7222 -0.4961 -0.4961 0.6971 0.6971 1.5003 1.5003 1.7677 1.7677 2.4438 2.4438 4.8446 4.8446 6.7345 6.7345 7.1844 7.1844 7.9381 7.9381 k = 0.0127-0.0341-0.0000 ( 4673 PWs) bands (ev): -14.7261 -14.7261 -14.5189 -14.5189 -11.6307 -11.6307 -11.3958 -11.3958 -5.5226 -5.5226 -4.3086 -4.3086 -4.0351 -4.0351 -3.9116 -3.9116 -3.1540 -3.1540 -2.7669 -2.7669 -2.2672 -2.2672 -1.9066 -1.9066 -1.1581 -1.1581 -0.8760 -0.8760 -0.7666 -0.7666 -0.7248 -0.7248 -0.4948 -0.4948 0.6941 0.6941 1.5250 1.5250 1.7540 1.7540 2.4516 2.4516 4.8411 4.8411 6.7321 6.7321 7.1823 7.1823 7.9374 7.9374 k = 0.0063-0.0170-0.0000 ( 4671 PWs) bands (ev): -14.7265 -14.7265 -14.5188 -14.5188 -11.6309 -11.6309 -11.3961 -11.3961 -5.5229 -5.5229 -4.3091 -4.3091 -4.0339 -4.0339 -3.9138 -3.9138 -3.1546 -3.1546 -2.7675 -2.7675 -2.2661 -2.2661 -1.9068 -1.9068 -1.1570 -1.1570 -0.8742 -0.8742 -0.7646 -0.7646 -0.7262 -0.7262 -0.4940 -0.4940 0.6922 0.6922 1.5416 1.5416 1.7440 1.7440 2.4564 2.4564 4.8390 4.8390 6.7306 6.7306 7.1810 7.1810 7.9370 7.9370 k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -14.7266 -14.7266 -14.5187 -14.5187 -11.6310 -11.6310 -11.3961 -11.3961 -5.5230 -5.5230 -4.3093 -4.3093 -4.0335 -4.0335 -3.9145 -3.9145 -3.1549 -3.1549 -2.7677 -2.7677 -2.2657 -2.2657 -1.9068 -1.9068 -1.1566 -1.1566 -0.8735 -0.8735 -0.7639 -0.7639 -0.7267 -0.7267 -0.4938 -0.4938 0.6916 0.6916 1.5476 1.5476 1.7403 1.7403 2.4580 2.4580 4.8383 4.8383 6.7301 6.7301 7.1806 7.1806 7.9369 7.9369 k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -14.7266 -14.7266 -14.5187 -14.5187 -11.6310 -11.6310 -11.3961 -11.3961 -5.5230 -5.5230 -4.3093 -4.3093 -4.0335 -4.0335 -3.9145 -3.9145 -3.1549 -3.1549 -2.7677 -2.7677 -2.2657 -2.2657 -1.9068 -1.9068 -1.1566 -1.1566 -0.8735 -0.8735 -0.7639 -0.7639 -0.7267 -0.7267 -0.4938 -0.4938 0.6916 0.6916 1.5476 1.5476 1.7403 1.7403 2.4580 2.4580 4.8383 4.8383 6.7301 6.7301 7.1806 7.1806 7.9369 7.9369 k = 0.0119-0.0138-0.0006 ( 4672 PWs) bands (ev): -14.7265 -14.7265 -14.5188 -14.5188 -11.6309 -11.6309 -11.3961 -11.3961 -5.5229 -5.5229 -4.3091 -4.3091 -4.0339 -4.0339 -3.9137 -3.9137 -3.1545 -3.1545 -2.7675 -2.7675 -2.2660 -2.2660 -1.9069 -1.9069 -1.1573 -1.1573 -0.8743 -0.8743 -0.7644 -0.7644 -0.7265 -0.7265 -0.4940 -0.4940 0.6925 0.6925 1.5423 1.5423 1.7438 1.7438 2.4565 2.4565 4.8392 4.8392 6.7302 6.7302 7.1816 7.1816 7.9370 7.9370 k = 0.0238-0.0276-0.0012 ( 4672 PWs) bands (ev): -14.7261 -14.7261 -14.5188 -14.5188 -11.6308 -11.6308 -11.3960 -11.3960 -5.5225 -5.5225 -4.3085 -4.3085 -4.0352 -4.0352 -3.9114 -3.9114 -3.1535 -3.1535 -2.7667 -2.7667 -2.2670 -2.2670 -1.9071 -1.9071 -1.1594 -1.1594 -0.8767 -0.8767 -0.7660 -0.7660 -0.7258 -0.7258 -0.4947 -0.4947 0.6951 0.6951 1.5275 1.5275 1.7535 1.7535 2.4523 2.4523 4.8416 4.8416 6.7305 6.7305 7.1846 7.1846 7.9373 7.9373 k = 0.0357-0.0414-0.0018 ( 4674 PWs) bands (ev): -14.7254 -14.7254 -14.5189 -14.5189 -11.6305 -11.6305 -11.3958 -11.3958 -5.5218 -5.5218 -4.3075 -4.3075 -4.0371 -4.0371 -3.9077 -3.9077 -3.1518 -3.1518 -2.7655 -2.7655 -2.2685 -2.2685 -1.9074 -1.9074 -1.1628 -1.1628 -0.8807 -0.8807 -0.7688 -0.7688 -0.7245 -0.7245 -0.4959 -0.4959 0.6994 0.6994 1.5056 1.5056 1.7670 1.7670 2.4452 2.4452 4.8457 4.8457 6.7311 6.7311 7.1896 7.1896 7.9378 7.9378 k = 0.0476-0.0552-0.0023 ( 4674 PWs) bands (ev): -14.7244 -14.7244 -14.5191 -14.5191 -11.6302 -11.6302 -11.3956 -11.3956 -5.5208 -5.5208 -4.3061 -4.3061 -4.0396 -4.0396 -3.9028 -3.9028 -3.1495 -3.1495 -2.7638 -2.7638 -2.2707 -2.2707 -1.9078 -1.9078 -1.1676 -1.1676 -0.8866 -0.8866 -0.7728 -0.7728 -0.7222 -0.7222 -0.4975 -0.4975 0.7052 0.7052 1.4786 1.4786 1.7821 1.7821 2.4355 2.4355 4.8515 4.8515 6.7317 6.7317 7.1966 7.1966 7.9387 7.9387 k = 0.0595-0.0690-0.0029 ( 4671 PWs) bands (ev): -14.7232 -14.7232 -14.5192 -14.5192 -11.6297 -11.6297 -11.3954 -11.3954 -5.5196 -5.5196 -4.3043 -4.3043 -4.0424 -4.0424 -3.8968 -3.8968 -3.1465 -3.1465 -2.7616 -2.7616 -2.2735 -2.2735 -1.9083 -1.9083 -1.1738 -1.1738 -0.8943 -0.8943 -0.7783 -0.7783 -0.7187 -0.7187 -0.4994 -0.4994 0.7125 0.7125 1.4483 1.4483 1.7975 1.7975 2.4233 2.4233 4.8588 4.8588 6.7323 6.7323 7.2054 7.2054 7.9399 7.9399 k = 0.0714-0.0828-0.0035 ( 4671 PWs) bands (ev): -14.7218 -14.7218 -14.5195 -14.5195 -11.6292 -11.6292 -11.3950 -11.3950 -5.5181 -5.5181 -4.3022 -4.3022 -4.0453 -4.0453 -3.8900 -3.8900 -3.1429 -3.1429 -2.7588 -2.7588 -2.2768 -2.2768 -1.9088 -1.9088 -1.1812 -1.1812 -0.9039 -0.9039 -0.7852 -0.7852 -0.7138 -0.7138 -0.5018 -0.5018 0.7211 0.7211 1.4154 1.4154 1.8123 1.8123 2.4087 2.4087 4.8676 4.8676 6.7327 6.7327 7.2162 7.2162 7.9416 7.9416 k = 0.0833-0.0967-0.0041 ( 4674 PWs) bands (ev): -14.7200 -14.7200 -14.5197 -14.5197 -11.6285 -11.6285 -11.3946 -11.3946 -5.5164 -5.5164 -4.2998 -4.2998 -4.0482 -4.0482 -3.8826 -3.8826 -3.1388 -3.1388 -2.7554 -2.7554 -2.2806 -2.2806 -1.9095 -1.9095 -1.1900 -1.1900 -0.9156 -0.9156 -0.7935 -0.7935 -0.7075 -0.7075 -0.5046 -0.5046 0.7308 0.7308 1.3809 1.3809 1.8258 1.8258 2.3921 2.3921 4.8779 4.8779 6.7328 6.7328 7.2287 7.2287 7.9439 7.9439 k = 0.0952-0.1105-0.0047 ( 4681 PWs) bands (ev): -14.7181 -14.7181 -14.5201 -14.5201 -11.6278 -11.6278 -11.3942 -11.3942 -5.5146 -5.5146 -4.2970 -4.2970 -4.0509 -4.0509 -3.8746 -3.8746 -3.1342 -3.1342 -2.7515 -2.7515 -2.2849 -2.2849 -1.9101 -1.9101 -1.2000 -1.2000 -0.9291 -0.9291 -0.8031 -0.8031 -0.6997 -0.6997 -0.5077 -0.5077 0.7414 0.7414 1.3451 1.3451 1.8377 1.8377 2.3736 2.3736 4.8897 4.8897 6.7325 6.7325 7.2428 7.2428 7.9469 7.9469 k = 0.1071-0.1243-0.0053 ( 4683 PWs) bands (ev): -14.7158 -14.7158 -14.5204 -14.5204 -11.6270 -11.6270 -11.3937 -11.3937 -5.5125 -5.5125 -4.2940 -4.2940 -4.0532 -4.0532 -3.8662 -3.8662 -3.1292 -3.1292 -2.7469 -2.7469 -2.2896 -2.2896 -1.9108 -1.9108 -1.2111 -1.2111 -0.9446 -0.9446 -0.8139 -0.8139 -0.6905 -0.6905 -0.5111 -0.5111 0.7525 0.7525 1.3088 1.3088 1.8476 1.8476 2.3536 2.3536 4.9028 4.9028 6.7314 6.7314 7.2586 7.2586 7.9508 7.9508 k = 0.1190-0.1381-0.0059 ( 4677 PWs) bands (ev): -14.7134 -14.7134 -14.5208 -14.5208 -11.6261 -11.6261 -11.3931 -11.3931 -5.5102 -5.5102 -4.2908 -4.2908 -4.0552 -4.0552 -3.8575 -3.8575 -3.1238 -3.1238 -2.7417 -2.7417 -2.2946 -2.2946 -1.9115 -1.9115 -1.2234 -1.2234 -0.9618 -0.9618 -0.8258 -0.8258 -0.6801 -0.6801 -0.5148 -0.5148 0.7638 0.7638 1.2722 1.2722 1.8553 1.8553 2.3326 2.3326 4.9171 4.9171 6.7296 6.7296 7.2758 7.2758 7.9556 7.9556 k = 0.1310-0.1519-0.0065 ( 4678 PWs) bands (ev): -14.7107 -14.7107 -14.5213 -14.5213 -11.6252 -11.6252 -11.3925 -11.3925 -5.5078 -5.5078 -4.2874 -4.2874 -4.0567 -4.0567 -3.8486 -3.8486 -3.1180 -3.1180 -2.7357 -2.7357 -2.3000 -2.3000 -1.9121 -1.9121 -1.2367 -1.2367 -0.9808 -0.9808 -0.8386 -0.8386 -0.6685 -0.6685 -0.5189 -0.5189 0.7749 0.7749 1.2360 1.2360 1.8605 1.8605 2.3109 2.3109 4.9327 4.9327 6.7267 6.7267 7.2943 7.2943 7.9613 7.9613 k = 0.1429-0.1657-0.0070 ( 4676 PWs) bands (ev): -14.7078 -14.7078 -14.5218 -14.5218 -11.6242 -11.6242 -11.3919 -11.3919 -5.5053 -5.5053 -4.2839 -4.2839 -4.0575 -4.0575 -3.8396 -3.8396 -3.1120 -3.1120 -2.7290 -2.7290 -2.3056 -2.3056 -1.9126 -1.9126 -1.2510 -1.2510 -1.0013 -1.0013 -0.8522 -0.8522 -0.6560 -0.6560 -0.5231 -0.5231 0.7853 0.7853 1.2008 1.2008 1.8630 1.8630 2.2890 2.2890 4.9494 4.9494 6.7226 6.7226 7.3141 7.3141 7.9680 7.9680 k = 0.1548-0.1795-0.0076 ( 4680 PWs) bands (ev): -14.7047 -14.7047 -14.5224 -14.5224 -11.6231 -11.6231 -11.3912 -11.3912 -5.5027 -5.5027 -4.2803 -4.2803 -4.0578 -4.0578 -3.8304 -3.8304 -3.1059 -3.1059 -2.7216 -2.7216 -2.3113 -2.3113 -1.9130 -1.9130 -1.2661 -1.2661 -1.0232 -1.0232 -0.8666 -0.8666 -0.6428 -0.6428 -0.5276 -0.5276 0.7943 0.7943 1.1672 1.1672 1.8625 1.8625 2.2673 2.2673 4.9672 4.9672 6.7171 6.7171 7.3350 7.3350 7.9756 7.9756 k = 0.1667-0.1933-0.0082 ( 4682 PWs) bands (ev): -14.7014 -14.7014 -14.5230 -14.5230 -11.6220 -11.6220 -11.3904 -11.3904 -5.5000 -5.5000 -4.2766 -4.2766 -4.0573 -4.0573 -3.8213 -3.8213 -3.0997 -3.0997 -2.7133 -2.7133 -2.3172 -2.3172 -1.9132 -1.9132 -1.2821 -1.2821 -1.0465 -1.0465 -0.8815 -0.8815 -0.6291 -0.6291 -0.5320 -0.5320 0.8009 0.8009 1.1363 1.1363 1.8588 1.8588 2.2464 2.2464 4.9858 4.9858 6.7102 6.7102 7.3569 7.3569 7.9835 7.9835 k = 0.1786-0.2071-0.0088 ( 4687 PWs) bands (ev): -14.6979 -14.6979 -14.5237 -14.5237 -11.6208 -11.6208 -11.3897 -11.3897 -5.4973 -5.4973 -4.2730 -4.2730 -4.0560 -4.0560 -3.8122 -3.8122 -3.0934 -3.0934 -2.7043 -2.7043 -2.3230 -2.3230 -1.9133 -1.9133 -1.2988 -1.2988 -1.0710 -1.0710 -0.8969 -0.8969 -0.6157 -0.6157 -0.5359 -0.5359 0.8043 0.8043 1.1092 1.1092 1.8517 1.8517 2.2267 2.2267 5.0053 5.0053 6.7016 6.7016 7.3796 7.3796 7.9910 7.9910 k = 0.1905-0.2209-0.0094 ( 4690 PWs) bands (ev): -14.6943 -14.6943 -14.5245 -14.5245 -11.6196 -11.6196 -11.3888 -11.3888 -5.4945 -5.4945 -4.2694 -4.2694 -4.0540 -4.0540 -3.8031 -3.8031 -3.0872 -3.0872 -2.6945 -2.6945 -2.3288 -2.3288 -1.9131 -1.9131 -1.3162 -1.3162 -1.0965 -1.0965 -0.9126 -0.9126 -0.6036 -0.6036 -0.5383 -0.5383 0.8030 0.8030 1.0870 1.0870 1.8412 1.8412 2.2086 2.2086 5.0256 5.0256 6.6913 6.6913 7.4030 7.4030 7.9956 7.9956 k = 0.2024-0.2347-0.0100 ( 4691 PWs) bands (ev): -14.6905 -14.6905 -14.5253 -14.5253 -11.6183 -11.6183 -11.3880 -11.3880 -5.4918 -5.4918 -4.2660 -4.2660 -4.0512 -4.0512 -3.7942 -3.7942 -3.0812 -3.0812 -2.6839 -2.6839 -2.3344 -2.3344 -1.9126 -1.9126 -1.3341 -1.3341 -1.1229 -1.1229 -0.9285 -0.9285 -0.5950 -0.5950 -0.5374 -0.5374 0.7963 0.7963 1.0709 1.0709 1.8272 1.8272 2.1925 2.1925 5.0464 5.0464 6.6792 6.6792 7.4269 7.4269 7.9927 7.9927 k = 0.2143-0.2485-0.0106 ( 4688 PWs) bands (ev): -14.6865 -14.6865 -14.5263 -14.5263 -11.6170 -11.6170 -11.3871 -11.3871 -5.4890 -5.4890 -4.2627 -4.2627 -4.0476 -4.0476 -3.7853 -3.7853 -3.0753 -3.0753 -2.6725 -2.6725 -2.3397 -2.3397 -1.9118 -1.9118 -1.3525 -1.3525 -1.1501 -1.1501 -0.9446 -0.9446 -0.5919 -0.5919 -0.5310 -0.5310 0.7838 0.7838 1.0610 1.0610 1.8099 1.8099 2.1784 2.1784 5.0678 5.0678 6.6653 6.6653 7.4513 7.4513 7.9792 7.9792 k = 0.2262-0.2623-0.0111 ( 4689 PWs) bands (ev): -14.6824 -14.6824 -14.5273 -14.5273 -11.6158 -11.6158 -11.3862 -11.3862 -5.4863 -5.4863 -4.2596 -4.2596 -4.0432 -4.0432 -3.7767 -3.7767 -3.0697 -3.0697 -2.6605 -2.6605 -2.3447 -2.3447 -1.9107 -1.9107 -1.3713 -1.3713 -1.1779 -1.1779 -0.9606 -0.9606 -0.5944 -0.5944 -0.5194 -0.5194 0.7661 0.7661 1.0570 1.0570 1.7897 1.7897 2.1663 2.1663 5.0896 5.0896 6.6497 6.6497 7.4760 7.4760 7.9582 7.9582 k = 0.2381-0.2762-0.0117 ( 4687 PWs) bands (ev): -14.6782 -14.6782 -14.5283 -14.5283 -11.6144 -11.6144 -11.3852 -11.3852 -5.4837 -5.4837 -4.2567 -4.2567 -4.0380 -4.0380 -3.7682 -3.7682 -3.0645 -3.0645 -2.6480 -2.6480 -2.3491 -2.3491 -1.9092 -1.9092 -1.3904 -1.3904 -1.2062 -1.2062 -0.9766 -0.9766 -0.6007 -0.6007 -0.5044 -0.5044 0.7443 0.7443 1.0576 1.0576 1.7670 1.7670 2.1561 2.1561 5.1117 5.1117 6.6323 6.6323 7.5009 7.5009 7.9343 7.9343 k = 0.2500-0.2900-0.0123 ( 4683 PWs) bands (ev): -14.6739 -14.6739 -14.5295 -14.5295 -11.6131 -11.6131 -11.3843 -11.3843 -5.4811 -5.4811 -4.2541 -4.2541 -4.0321 -4.0321 -3.7600 -3.7600 -3.0595 -3.0595 -2.6350 -2.6350 -2.3528 -2.3528 -1.9072 -1.9072 -1.4099 -1.4099 -1.2348 -1.2348 -0.9924 -0.9924 -0.6093 -0.6093 -0.4877 -0.4877 0.7197 0.7197 1.0615 1.0615 1.7423 1.7423 2.1475 2.1475 5.1340 5.1340 6.6133 6.6133 7.5258 7.5258 7.9101 7.9101 k = 0.2619-0.3038-0.0129 ( 4684 PWs) bands (ev): -14.6694 -14.6694 -14.5308 -14.5308 -11.6118 -11.6118 -11.3833 -11.3833 -5.4786 -5.4786 -4.2516 -4.2516 -4.0255 -4.0255 -3.7520 -3.7520 -3.0550 -3.0550 -2.6218 -2.6218 -2.3558 -2.3558 -1.9048 -1.9048 -1.4296 -1.4296 -1.2635 -1.2635 -1.0081 -1.0081 -0.6195 -0.6195 -0.4702 -0.4702 0.6937 0.6937 1.0676 1.0676 1.7162 1.7162 2.1404 2.1404 5.1563 5.1563 6.5929 6.5929 7.5505 7.5505 7.8868 7.8868 k = 0.2738-0.3176-0.0135 ( 4684 PWs) bands (ev): -14.6649 -14.6649 -14.5321 -14.5321 -11.6105 -11.6105 -11.3824 -11.3824 -5.4762 -5.4762 -4.2494 -4.2494 -4.0184 -4.0184 -3.7443 -3.7443 -3.0508 -3.0508 -2.6085 -2.6085 -2.3576 -2.3576 -1.9019 -1.9019 -1.4496 -1.4496 -1.2921 -1.2921 -1.0234 -1.0234 -0.6309 -0.6309 -0.4521 -0.4521 0.6671 0.6671 1.0748 1.0748 1.6892 1.6892 2.1343 2.1343 5.1786 5.1786 6.5711 6.5711 7.5749 7.5749 7.8652 7.8652 k = 0.2857-0.3314-0.0141 ( 4692 PWs) bands (ev): -14.6604 -14.6604 -14.5336 -14.5336 -11.6093 -11.6093 -11.3814 -11.3814 -5.4739 -5.4739 -4.2475 -4.2475 -4.0108 -4.0108 -3.7368 -3.7368 -3.0471 -3.0471 -2.5955 -2.5955 -2.3582 -2.3582 -1.8985 -1.8985 -1.4697 -1.4697 -1.3204 -1.3204 -1.0385 -1.0385 -0.6434 -0.6434 -0.4339 -0.4339 0.6407 0.6407 1.0825 1.0825 1.6619 1.6619 2.1293 2.1293 5.2006 5.2006 6.5482 6.5482 7.5988 7.5988 7.8457 7.8457 k = 0.2976-0.3452-0.0147 ( 4690 PWs) bands (ev): -14.6557 -14.6557 -14.5352 -14.5352 -11.6080 -11.6080 -11.3805 -11.3805 -5.4717 -5.4717 -4.2457 -4.2457 -4.0027 -4.0027 -3.7296 -3.7296 -3.0438 -3.0438 -2.5830 -2.5830 -2.3572 -2.3572 -1.8946 -1.8946 -1.4901 -1.4901 -1.3482 -1.3482 -1.0532 -1.0532 -0.6567 -0.6567 -0.4158 -0.4158 0.6149 0.6149 1.0901 1.0901 1.6347 1.6347 2.1250 2.1250 5.2224 5.2224 6.5245 6.5245 7.6218 7.6218 7.8286 7.8286 k = 0.3095-0.3590-0.0153 ( 4691 PWs) bands (ev): -14.6511 -14.6511 -14.5368 -14.5368 -11.6068 -11.6068 -11.3795 -11.3795 -5.4696 -5.4696 -4.2442 -4.2442 -3.9944 -3.9944 -3.7227 -3.7227 -3.0410 -3.0410 -2.5714 -2.5714 -2.3545 -2.3545 -1.8902 -1.8902 -1.5106 -1.5106 -1.3753 -1.3753 -1.0676 -1.0676 -0.6707 -0.6707 -0.3978 -0.3978 0.5901 0.5901 1.0972 1.0972 1.6082 1.6082 2.1213 2.1213 5.2438 5.2438 6.5001 6.5001 7.6438 7.6438 7.8141 7.8141 k = 0.3214-0.3728-0.0158 ( 4694 PWs) bands (ev): -14.6464 -14.6464 -14.5386 -14.5386 -11.6056 -11.6056 -11.3786 -11.3786 -5.4677 -5.4677 -4.2428 -4.2428 -3.9858 -3.9858 -3.7162 -3.7162 -3.0385 -3.0385 -2.5609 -2.5609 -2.3497 -2.3497 -1.8855 -1.8855 -1.5313 -1.5313 -1.4013 -1.4013 -1.0815 -1.0815 -0.6853 -0.6853 -0.3802 -0.3802 0.5666 0.5666 1.1035 1.1035 1.5826 1.5826 2.1181 2.1181 5.2646 5.2646 6.4754 6.4754 7.6642 7.6642 7.8027 7.8027 k = 0.3333-0.3866-0.0164 ( 4689 PWs) bands (ev): -14.6417 -14.6417 -14.5405 -14.5405 -11.6045 -11.6045 -11.3777 -11.3777 -5.4659 -5.4659 -4.2416 -4.2416 -3.9771 -3.9771 -3.7099 -3.7099 -3.0365 -3.0365 -2.5518 -2.5518 -2.3427 -2.3427 -1.8805 -1.8805 -1.5520 -1.5520 -1.4262 -1.4262 -1.0951 -1.0951 -0.7004 -0.7004 -0.3631 -0.3631 0.5445 0.5445 1.1086 1.1086 1.5585 1.5585 2.1154 2.1154 5.2848 5.2848 6.4505 6.4505 7.6824 7.6824 7.7949 7.7949 k = 0.3452-0.4004-0.0170 ( 4688 PWs) bands (ev): -14.6370 -14.6370 -14.5425 -14.5425 -11.6034 -11.6034 -11.3768 -11.3768 -5.4642 -5.4642 -4.2406 -4.2406 -3.9685 -3.9685 -3.7040 -3.7040 -3.0348 -3.0348 -2.5442 -2.5442 -2.3334 -2.3334 -1.8755 -1.8755 -1.5726 -1.5726 -1.4496 -1.4496 -1.1083 -1.1083 -0.7158 -0.7158 -0.3465 -0.3465 0.5240 0.5240 1.1125 1.1125 1.5360 1.5360 2.1130 2.1130 5.3042 5.3042 6.4259 6.4259 7.6974 7.6974 7.7913 7.7913 k = 0.3571-0.4142-0.0176 ( 4696 PWs) bands (ev): -14.6323 -14.6323 -14.5447 -14.5447 -11.6024 -11.6024 -11.3760 -11.3760 -5.4627 -5.4627 -4.2397 -4.2397 -3.9599 -3.9599 -3.6985 -3.6985 -3.0335 -3.0335 -2.5381 -2.5381 -2.3221 -2.3221 -1.8708 -1.8708 -1.5928 -1.5928 -1.4714 -1.4714 -1.1210 -1.1210 -0.7312 -0.7312 -0.3307 -0.3307 0.5051 0.5051 1.1150 1.1150 1.5155 1.5155 2.1108 2.1108 5.3226 5.3226 6.4018 6.4018 7.7084 7.7084 7.7926 7.7926 k = 0.3690-0.4280-0.0182 ( 4699 PWs) bands (ev): -14.6276 -14.6276 -14.5469 -14.5469 -11.6014 -11.6014 -11.3752 -11.3752 -5.4613 -5.4613 -4.2389 -4.2389 -3.9516 -3.9516 -3.6933 -3.6933 -3.0325 -3.0325 -2.5335 -2.5335 -2.3087 -2.3087 -1.8667 -1.8667 -1.6120 -1.6120 -1.4917 -1.4917 -1.1333 -1.1333 -0.7466 -0.7466 -0.3156 -0.3156 0.4880 0.4880 1.1160 1.1160 1.4972 1.4972 2.1090 2.1090 5.3401 5.3401 6.3784 6.3784 7.7155 7.7155 7.7985 7.7985 k = 0.3810-0.4418-0.0188 ( 4702 PWs) bands (ev): -14.6230 -14.6230 -14.5493 -14.5493 -11.6005 -11.6005 -11.3745 -11.3745 -5.4600 -5.4600 -4.2382 -4.2382 -3.9436 -3.9436 -3.6885 -3.6885 -3.0319 -3.0319 -2.5300 -2.5300 -2.2937 -2.2937 -1.8639 -1.8639 -1.6296 -1.6296 -1.5103 -1.5103 -1.1452 -1.1452 -0.7617 -0.7617 -0.3014 -0.3014 0.4725 0.4725 1.1155 1.1155 1.4811 1.4811 2.1074 2.1074 5.3565 5.3565 6.3561 6.3561 7.7196 7.7196 7.8076 7.8076 k = 0.3929-0.4556-0.0194 ( 4700 PWs) bands (ev): -14.6184 -14.6184 -14.5518 -14.5518 -11.5997 -11.5997 -11.3738 -11.3738 -5.4589 -5.4589 -4.2376 -4.2376 -3.9360 -3.9360 -3.6841 -3.6841 -3.0314 -3.0314 -2.5276 -2.5276 -2.2775 -2.2775 -1.8630 -1.8630 -1.6448 -1.6448 -1.5274 -1.5274 -1.1566 -1.1566 -0.7763 -0.7763 -0.2883 -0.2883 0.4587 0.4587 1.1138 1.1138 1.4674 1.4674 2.1060 2.1060 5.3717 5.3717 6.3350 6.3350 7.7222 7.7222 7.8183 7.8183 k = 0.4048-0.4695-0.0200 ( 4694 PWs) bands (ev): -14.6139 -14.6139 -14.5544 -14.5544 -11.5989 -11.5989 -11.3732 -11.3732 -5.4578 -5.4578 -4.2371 -4.2371 -3.9289 -3.9289 -3.6801 -3.6801 -3.0312 -3.0312 -2.5259 -2.5259 -2.2603 -2.2603 -1.8646 -1.8646 -1.6569 -1.6569 -1.5431 -1.5431 -1.1674 -1.1674 -0.7900 -0.7900 -0.2762 -0.2762 0.4466 0.4466 1.1109 1.1109 1.4560 1.4560 2.1048 2.1048 5.3855 5.3855 6.3155 6.3155 7.7243 7.7243 7.8291 7.8291 k = 0.4167-0.4833-0.0205 ( 4692 PWs) bands (ev): -14.6095 -14.6095 -14.5571 -14.5571 -11.5982 -11.5982 -11.3726 -11.3726 -5.4569 -5.4569 -4.2367 -4.2367 -3.9225 -3.9225 -3.6765 -3.6765 -3.0312 -3.0312 -2.5248 -2.5248 -2.2426 -2.2426 -1.8693 -1.8693 -1.6651 -1.6651 -1.5574 -1.5574 -1.1775 -1.1775 -0.8028 -0.8028 -0.2654 -0.2654 0.4362 0.4362 1.1072 1.1072 1.4466 1.4466 2.1037 2.1037 5.3979 5.3979 6.2977 6.2977 7.7264 7.7264 7.8392 7.8392 k = 0.4286-0.4971-0.0211 ( 4692 PWs) bands (ev): -14.6051 -14.6051 -14.5600 -14.5600 -11.5976 -11.5976 -11.3721 -11.3721 -5.4562 -5.4562 -4.2364 -4.2364 -3.9167 -3.9167 -3.6734 -3.6734 -3.0313 -3.0313 -2.5242 -2.5242 -2.2249 -2.2249 -1.8770 -1.8770 -1.6693 -1.6693 -1.5705 -1.5705 -1.1869 -1.1869 -0.8144 -0.8144 -0.2558 -0.2558 0.4272 0.4272 1.1031 1.1031 1.4392 1.4392 2.1028 2.1028 5.4089 5.4089 6.2819 6.2819 7.7287 7.7287 7.8482 7.8482 k = 0.4405-0.5109-0.0217 ( 4693 PWs) bands (ev): -14.6009 -14.6009 -14.5630 -14.5630 -11.5971 -11.5971 -11.3717 -11.3717 -5.4555 -5.4555 -4.2361 -4.2361 -3.9117 -3.9117 -3.6707 -3.6707 -3.0314 -3.0314 -2.5238 -2.5238 -2.2077 -2.2077 -1.8871 -1.8871 -1.6699 -1.6699 -1.5824 -1.5824 -1.1953 -1.1953 -0.8246 -0.8246 -0.2475 -0.2475 0.4198 0.4198 1.0988 1.0988 1.4334 1.4334 2.1021 2.1021 5.4183 5.4183 6.2682 6.2682 7.7311 7.7311 7.8559 7.8559 k = 0.4524-0.5247-0.0223 ( 4698 PWs) bands (ev): -14.5967 -14.5967 -14.5661 -14.5661 -11.5967 -11.5967 -11.3713 -11.3713 -5.4550 -5.4550 -4.2359 -4.2359 -3.9075 -3.9075 -3.6685 -3.6685 -3.0316 -3.0316 -2.5236 -2.5236 -2.1915 -2.1915 -1.8984 -1.8984 -1.6675 -1.6675 -1.5933 -1.5933 -1.2026 -1.2026 -0.8331 -0.8331 -0.2407 -0.2407 0.4138 0.4138 1.0948 1.0948 1.4290 1.4290 2.1015 2.1015 5.4261 5.4261 6.2568 6.2568 7.7334 7.7334 7.8620 7.8620 k = 0.4643-0.5385-0.0229 ( 4703 PWs) bands (ev): -14.5927 -14.5927 -14.5692 -14.5692 -11.5964 -11.5964 -11.3710 -11.3710 -5.4546 -5.4546 -4.2357 -4.2357 -3.9042 -3.9042 -3.6667 -3.6667 -3.0318 -3.0318 -2.5236 -2.5236 -2.1772 -2.1772 -1.9097 -1.9097 -1.6632 -1.6632 -1.6032 -1.6032 -1.2085 -1.2085 -0.8400 -0.8400 -0.2353 -0.2353 0.4092 0.4092 1.0913 1.0913 1.4258 1.4258 2.1010 2.1010 5.4322 5.4322 6.2478 6.2478 7.7356 7.7356 7.8666 7.8666 k = 0.4762-0.5523-0.0235 ( 4711 PWs) bands (ev): -14.5890 -14.5890 -14.5724 -14.5724 -11.5962 -11.5962 -11.3708 -11.3708 -5.4543 -5.4543 -4.2356 -4.2356 -3.9018 -3.9018 -3.6655 -3.6655 -3.0320 -3.0320 -2.5235 -2.5235 -2.1657 -2.1657 -1.9194 -1.9194 -1.6580 -1.6580 -1.6118 -1.6118 -1.2129 -1.2129 -0.8449 -0.8449 -0.2315 -0.2315 0.4060 0.4060 1.0886 1.0886 1.4237 1.4237 2.1007 2.1007 5.4366 5.4366 6.2412 6.2412 7.7373 7.7373 7.8698 7.8698 k = 0.4881-0.5661-0.0241 ( 4709 PWs) bands (ev): -14.5857 -14.5857 -14.5753 -14.5753 -11.5960 -11.5960 -11.3707 -11.3707 -5.4542 -5.4542 -4.2355 -4.2355 -3.9004 -3.9004 -3.6647 -3.6647 -3.0321 -3.0321 -2.5235 -2.5235 -2.1582 -2.1582 -1.9260 -1.9260 -1.6532 -1.6532 -1.6184 -1.6184 -1.2156 -1.2156 -0.8479 -0.8479 -0.2291 -0.2291 0.4041 0.4041 1.0869 1.0869 1.4225 1.4225 2.1005 2.1005 5.4392 5.4392 6.2373 6.2373 7.7385 7.7385 7.8716 7.8716 k = 0.5000-0.5799-0.0246 ( 4714 PWs) bands (ev): -14.5841 -14.5841 -14.5768 -14.5768 -11.5960 -11.5960 -11.3707 -11.3707 -5.4541 -5.4541 -4.2355 -4.2355 -3.8999 -3.8999 -3.6645 -3.6645 -3.0321 -3.0321 -2.5235 -2.5235 -2.1556 -2.1556 -1.9284 -1.9284 -1.6510 -1.6510 -1.6211 -1.6211 -1.2166 -1.2166 -0.8490 -0.8490 -0.2284 -0.2284 0.4034 0.4034 1.0863 1.0863 1.4220 1.4220 2.1004 2.1004 5.4401 5.4401 6.2360 6.2360 7.7389 7.7389 7.8722 7.8722 k = 0.5000-0.5799 0.4281 ( 4700 PWs) bands (ev): -14.5836 -14.5836 -14.5765 -14.5765 -11.5677 -11.5677 -11.3987 -11.3987 -5.4151 -5.4151 -4.2187 -4.2187 -3.9518 -3.9518 -3.8274 -3.8274 -3.0245 -3.0245 -2.5130 -2.5130 -2.1929 -2.1929 -2.0803 -2.0803 -1.7682 -1.7682 -1.5310 -1.5310 -0.9157 -0.9157 -0.5190 -0.5190 -0.2010 -0.2010 0.2957 0.2957 1.1425 1.1425 1.3673 1.3673 2.0582 2.0582 5.2608 5.2608 6.4052 6.4052 7.5642 7.5642 7.7943 7.7943 k = 0.4896-0.5678 0.4192 ( 4701 PWs) bands (ev): -14.5842 -14.5842 -14.5759 -14.5759 -11.5678 -11.5678 -11.3986 -11.3986 -5.4152 -5.4152 -4.2187 -4.2187 -3.9519 -3.9519 -3.8274 -3.8274 -3.0243 -3.0243 -2.5129 -2.5129 -2.1963 -2.1963 -2.0772 -2.0772 -1.7690 -1.7690 -1.5289 -1.5289 -0.9154 -0.9154 -0.5198 -0.5198 -0.2019 -0.2019 0.2968 0.2968 1.1423 1.1423 1.3681 1.3681 2.0585 2.0585 5.2609 5.2609 6.4057 6.4057 7.5636 7.5636 7.7898 7.7898 k = 0.4792-0.5558 0.4103 ( 4697 PWs) bands (ev): -14.5859 -14.5859 -14.5746 -14.5746 -11.5683 -11.5683 -11.3984 -11.3984 -5.4154 -5.4154 -4.2190 -4.2190 -3.9524 -3.9524 -3.8275 -3.8275 -3.0238 -3.0238 -2.5127 -2.5127 -2.2055 -2.2055 -2.0690 -2.0690 -1.7711 -1.7711 -1.5227 -1.5227 -0.9147 -0.9147 -0.5222 -0.5222 -0.2044 -0.2044 0.2999 0.2999 1.1417 1.1417 1.3705 1.3705 2.0593 2.0593 5.2610 5.2610 6.4073 6.4073 7.5622 7.5622 7.7785 7.7785 k = 0.4688-0.5437 0.4014 ( 4694 PWs) bands (ev): -14.5880 -14.5880 -14.5729 -14.5729 -11.5689 -11.5689 -11.3981 -11.3981 -5.4159 -5.4159 -4.2194 -4.2194 -3.9531 -3.9531 -3.8277 -3.8277 -3.0229 -3.0229 -2.5125 -2.5125 -2.2188 -2.2188 -2.0573 -2.0573 -1.7741 -1.7741 -1.5129 -1.5129 -0.9133 -0.9133 -0.5263 -0.5263 -0.2085 -0.2085 0.3052 0.3052 1.1407 1.1407 1.3744 1.3744 2.0606 2.0606 5.2612 5.2612 6.4099 6.4099 7.5599 7.5599 7.7641 7.7641 k = 0.4583-0.5316 0.3924 ( 4691 PWs) bands (ev): -14.5904 -14.5904 -14.5712 -14.5712 -11.5699 -11.5699 -11.3976 -11.3976 -5.4164 -5.4164 -4.2200 -4.2200 -3.9542 -3.9542 -3.8280 -3.8280 -3.0217 -3.0217 -2.5122 -2.5122 -2.2346 -2.2346 -2.0438 -2.0438 -1.7776 -1.7776 -1.5000 -1.5000 -0.9115 -0.9115 -0.5319 -0.5319 -0.2142 -0.2142 0.3125 0.3125 1.1392 1.1392 1.3798 1.3798 2.0623 2.0623 5.2614 5.2614 6.4135 6.4135 7.5570 7.5570 7.7491 7.7491 k = 0.4479-0.5195 0.3835 ( 4696 PWs) bands (ev): -14.5929 -14.5929 -14.5695 -14.5695 -11.5711 -11.5711 -11.3970 -11.3970 -5.4172 -5.4172 -4.2208 -4.2208 -3.9556 -3.9556 -3.8284 -3.8284 -3.0202 -3.0202 -2.5119 -2.5119 -2.2518 -2.2518 -2.0292 -2.0292 -1.7810 -1.7810 -1.4846 -1.4846 -0.9092 -0.9092 -0.5390 -0.5390 -0.2214 -0.2214 0.3219 0.3219 1.1372 1.1372 1.3867 1.3867 2.0645 2.0645 5.2616 5.2616 6.4183 6.4183 7.5539 7.5539 7.7344 7.7344 k = 0.4375-0.5074 0.3746 ( 4690 PWs) bands (ev): -14.5956 -14.5956 -14.5677 -14.5677 -11.5725 -11.5725 -11.3963 -11.3963 -5.4181 -5.4181 -4.2217 -4.2217 -3.9572 -3.9572 -3.8289 -3.8289 -3.0184 -3.0184 -2.5117 -2.5117 -2.2697 -2.2697 -2.0142 -2.0142 -1.7837 -1.7837 -1.4673 -1.4673 -0.9064 -0.9064 -0.5476 -0.5476 -0.2299 -0.2299 0.3334 0.3334 1.1347 1.1347 1.3951 1.3951 2.0671 2.0671 5.2618 5.2618 6.4241 6.4241 7.5508 7.5508 7.7207 7.7207 k = 0.4271-0.4953 0.3657 ( 4684 PWs) bands (ev): -14.5985 -14.5985 -14.5660 -14.5660 -11.5742 -11.5742 -11.3956 -11.3956 -5.4191 -5.4191 -4.2227 -4.2227 -3.9591 -3.9591 -3.8295 -3.8295 -3.0165 -3.0165 -2.5118 -2.5118 -2.2878 -2.2878 -1.9993 -1.9993 -1.7852 -1.7852 -1.4487 -1.4487 -0.9032 -0.9032 -0.5574 -0.5574 -0.2396 -0.2396 0.3469 0.3469 1.1316 1.1316 1.4049 1.4049 2.0701 2.0701 5.2618 5.2618 6.4311 6.4311 7.5479 7.5479 7.7082 7.7082 k = 0.4167-0.4833 0.3568 ( 4685 PWs) bands (ev): -14.6015 -14.6015 -14.5644 -14.5644 -11.5760 -11.5760 -11.3947 -11.3947 -5.4204 -5.4204 -4.2238 -4.2238 -3.9614 -3.9614 -3.8304 -3.8304 -3.0144 -3.0144 -2.5122 -2.5122 -2.3055 -2.3055 -1.9849 -1.9849 -1.7850 -1.7850 -1.4291 -1.4291 -0.8996 -0.8996 -0.5683 -0.5683 -0.2503 -0.2503 0.3624 0.3624 1.1278 1.1278 1.4161 1.4161 2.0733 2.0733 5.2616 5.2616 6.4392 6.4392 7.5455 7.5455 7.6970 7.6970 k = 0.4062-0.4712 0.3478 ( 4688 PWs) bands (ev): -14.6046 -14.6046 -14.5627 -14.5627 -11.5780 -11.5780 -11.3939 -11.3939 -5.4218 -5.4218 -4.2250 -4.2250 -3.9639 -3.9639 -3.8313 -3.8313 -3.0124 -3.0124 -2.5133 -2.5133 -2.3225 -2.3225 -1.9713 -1.9713 -1.7825 -1.7825 -1.4090 -1.4090 -0.8956 -0.8956 -0.5802 -0.5802 -0.2620 -0.2620 0.3798 0.3798 1.1233 1.1233 1.4286 1.4286 2.0768 2.0768 5.2611 5.2611 6.4484 6.4484 7.5436 7.5436 7.6872 7.6872 k = 0.3958-0.4591 0.3389 ( 4685 PWs) bands (ev): -14.6079 -14.6079 -14.5611 -14.5611 -11.5801 -11.5801 -11.3930 -11.3930 -5.4233 -5.4233 -4.2262 -4.2262 -3.9667 -3.9667 -3.8325 -3.8325 -3.0103 -3.0103 -2.5153 -2.5153 -2.3383 -2.3383 -1.9589 -1.9589 -1.7775 -1.7775 -1.3887 -1.3887 -0.8913 -0.8913 -0.5927 -0.5927 -0.2744 -0.2744 0.3991 0.3991 1.1180 1.1180 1.4423 1.4423 2.0805 2.0805 5.2603 5.2603 6.4588 6.4588 7.5422 7.5422 7.6791 7.6791 k = 0.3854-0.4470 0.3300 ( 4689 PWs) bands (ev): -14.6113 -14.6113 -14.5596 -14.5596 -11.5823 -11.5823 -11.3921 -11.3921 -5.4250 -5.4250 -4.2275 -4.2275 -3.9698 -3.9698 -3.8339 -3.8339 -3.0084 -3.0084 -2.5185 -2.5185 -2.3522 -2.3522 -1.9480 -1.9480 -1.7695 -1.7695 -1.3684 -1.3684 -0.8867 -0.8867 -0.6058 -0.6058 -0.2875 -0.2875 0.4202 0.4202 1.1120 1.1120 1.4573 1.4573 2.0844 2.0844 5.2589 5.2589 6.4703 6.4703 7.5410 7.5410 7.6730 7.6730 k = 0.3750-0.4349 0.3211 ( 4699 PWs) bands (ev): -14.6148 -14.6148 -14.5580 -14.5580 -11.5846 -11.5846 -11.3912 -11.3912 -5.4269 -5.4269 -4.2289 -4.2289 -3.9732 -3.9732 -3.8354 -3.8354 -3.0066 -3.0066 -2.5232 -2.5232 -2.3640 -2.3640 -1.9389 -1.9389 -1.7583 -1.7583 -1.3484 -1.3484 -0.8820 -0.8820 -0.6190 -0.6190 -0.3012 -0.3012 0.4429 0.4429 1.1053 1.1053 1.4734 1.4734 2.0883 2.0883 5.2570 5.2570 6.4829 6.4829 7.5398 7.5398 7.6692 7.6692 k = 0.3646-0.4229 0.3122 ( 4698 PWs) bands (ev): -14.6184 -14.6184 -14.5564 -14.5564 -11.5870 -11.5870 -11.3903 -11.3903 -5.4289 -5.4289 -4.2302 -4.2302 -3.9769 -3.9769 -3.8371 -3.8371 -3.0052 -3.0052 -2.5295 -2.5295 -2.3732 -2.3732 -1.9315 -1.9315 -1.7440 -1.7440 -1.3289 -1.3289 -0.8771 -0.8771 -0.6322 -0.6322 -0.3152 -0.3152 0.4672 0.4672 1.0977 1.0977 1.4907 1.4907 2.0924 2.0924 5.2545 5.2545 6.4966 6.4966 7.5379 7.5379 7.6681 7.6681 k = 0.3542-0.4108 0.3032 ( 4700 PWs) bands (ev): -14.6221 -14.6221 -14.5549 -14.5549 -11.5895 -11.5895 -11.3895 -11.3895 -5.4311 -5.4311 -4.2315 -4.2315 -3.9810 -3.9810 -3.8390 -3.8390 -3.0042 -3.0042 -2.5376 -2.5376 -2.3798 -2.3798 -1.9255 -1.9255 -1.7269 -1.7269 -1.3102 -1.3102 -0.8722 -0.8722 -0.6448 -0.6448 -0.3296 -0.3296 0.4929 0.4929 1.0893 1.0893 1.5090 1.5090 2.0964 2.0964 5.2512 5.2512 6.5113 6.5113 7.5351 7.5351 7.6702 7.6702 k = 0.3438-0.3987 0.2943 ( 4696 PWs) bands (ev): -14.6260 -14.6260 -14.5534 -14.5534 -11.5919 -11.5919 -11.3887 -11.3887 -5.4334 -5.4334 -4.2328 -4.2328 -3.9854 -3.9854 -3.8409 -3.8409 -3.0036 -3.0036 -2.5471 -2.5471 -2.3838 -2.3838 -1.9208 -1.9208 -1.7072 -1.7072 -1.2923 -1.2923 -0.8674 -0.8674 -0.6567 -0.6567 -0.3442 -0.3442 0.5200 0.5200 1.0800 1.0800 1.5283 1.5283 2.1004 2.1004 5.2470 5.2470 6.5270 6.5270 7.5309 7.5309 7.6758 7.6758 k = 0.3333-0.3866 0.2854 ( 4694 PWs) bands (ev): -14.6299 -14.6299 -14.5519 -14.5519 -11.5943 -11.5943 -11.3880 -11.3880 -5.4359 -5.4359 -4.2341 -4.2341 -3.9901 -3.9901 -3.8430 -3.8430 -3.0036 -3.0036 -2.5577 -2.5577 -2.3856 -2.3856 -1.9169 -1.9169 -1.6854 -1.6854 -1.2755 -1.2755 -0.8627 -0.8627 -0.6674 -0.6674 -0.3590 -0.3590 0.5484 0.5484 1.0700 1.0700 1.5485 1.5485 2.1045 2.1045 5.2419 5.2419 6.5436 6.5436 7.5252 7.5252 7.6848 7.6848 k = 0.3229-0.3745 0.2765 ( 4701 PWs) bands (ev): -14.6339 -14.6339 -14.5504 -14.5504 -11.5968 -11.5968 -11.3874 -11.3874 -5.4385 -5.4385 -4.2353 -4.2353 -3.9951 -3.9951 -3.8452 -3.8452 -3.0041 -3.0041 -2.5690 -2.5690 -2.3855 -2.3855 -1.9138 -1.9138 -1.6618 -1.6618 -1.2598 -1.2598 -0.8582 -0.8582 -0.6766 -0.6766 -0.3738 -0.3738 0.5778 0.5778 1.0592 1.0592 1.5696 1.5696 2.1085 2.1085 5.2359 5.2359 6.5609 6.5609 7.5179 7.5179 7.6971 7.6971 k = 0.3125-0.3624 0.2676 ( 4705 PWs) bands (ev): -14.6380 -14.6380 -14.5489 -14.5489 -11.5992 -11.5992 -11.3868 -11.3868 -5.4413 -5.4413 -4.2365 -4.2365 -4.0005 -4.0005 -3.8474 -3.8474 -3.0053 -3.0053 -2.5807 -2.5807 -2.3839 -2.3839 -1.9110 -1.9110 -1.6368 -1.6368 -1.2453 -1.2453 -0.8540 -0.8540 -0.6842 -0.6842 -0.3887 -0.3887 0.6083 0.6083 1.0477 1.0477 1.5915 1.5915 2.1125 2.1125 5.2287 5.2287 6.5788 6.5788 7.5092 7.5092 7.7124 7.7124 k = 0.3021-0.3504 0.2587 ( 4707 PWs) bands (ev): -14.6421 -14.6421 -14.5474 -14.5474 -11.6015 -11.6015 -11.3864 -11.3864 -5.4442 -5.4442 -4.2376 -4.2376 -4.0061 -4.0061 -3.8497 -3.8497 -3.0072 -3.0072 -2.5924 -2.5924 -2.3812 -2.3812 -1.9086 -1.9086 -1.6107 -1.6107 -1.2320 -1.2320 -0.8501 -0.8501 -0.6899 -0.6899 -0.4034 -0.4034 0.6397 0.6397 1.0354 1.0354 1.6140 1.6140 2.1166 2.1166 5.2206 5.2206 6.5972 6.5972 7.4993 7.4993 7.7304 7.7304 k = 0.2917-0.3383 0.2497 ( 4704 PWs) bands (ev): -14.6463 -14.6463 -14.5459 -14.5459 -11.6038 -11.6038 -11.3860 -11.3860 -5.4472 -5.4472 -4.2387 -4.2387 -4.0119 -4.0119 -3.8519 -3.8519 -3.0098 -3.0098 -2.6038 -2.6038 -2.3776 -2.3776 -1.9063 -1.9063 -1.5838 -1.5838 -1.2199 -1.2199 -0.8465 -0.8465 -0.6937 -0.6937 -0.4179 -0.4179 0.6718 0.6718 1.0225 1.0225 1.6370 1.6370 2.1208 2.1208 5.2113 5.2113 6.6160 6.6160 7.4881 7.4881 7.7508 7.7508 k = 0.2812-0.3262 0.2408 ( 4700 PWs) bands (ev): -14.6505 -14.6505 -14.5444 -14.5444 -11.6061 -11.6061 -11.3857 -11.3857 -5.4503 -5.4503 -4.2398 -4.2398 -4.0178 -4.0178 -3.8542 -3.8542 -3.0131 -3.0131 -2.6149 -2.6149 -2.3733 -2.3733 -1.9041 -1.9041 -1.5562 -1.5562 -1.2088 -1.2088 -0.8431 -0.8431 -0.6957 -0.6957 -0.4322 -0.4322 0.7047 0.7047 1.0090 1.0090 1.6604 1.6604 2.1252 2.1252 5.2008 5.2008 6.6349 6.6349 7.4758 7.4758 7.7733 7.7733 k = 0.2708-0.3141 0.2319 ( 4701 PWs) bands (ev): -14.6547 -14.6547 -14.5429 -14.5429 -11.6082 -11.6082 -11.3856 -11.3856 -5.4536 -5.4536 -4.2409 -4.2409 -4.0238 -4.0238 -3.8565 -3.8565 -3.0170 -3.0170 -2.6256 -2.6256 -2.3684 -2.3684 -1.9021 -1.9021 -1.5283 -1.5283 -1.1987 -1.1987 -0.8398 -0.8398 -0.6961 -0.6961 -0.4460 -0.4460 0.7381 0.7381 0.9950 0.9950 1.6839 1.6839 2.1299 2.1299 5.1893 5.1893 6.6537 6.6537 7.4625 7.4625 7.7975 7.7975 k = 0.2604-0.3020 0.2230 ( 4706 PWs) bands (ev): -14.6590 -14.6590 -14.5415 -14.5415 -11.6102 -11.6102 -11.3855 -11.3855 -5.4569 -5.4569 -4.2421 -4.2421 -4.0298 -4.0298 -3.8588 -3.8588 -3.0215 -3.0215 -2.6357 -2.6357 -2.3633 -2.3633 -1.9002 -1.9002 -1.5003 -1.5003 -1.1893 -1.1893 -0.8364 -0.8364 -0.6952 -0.6952 -0.4592 -0.4592 0.7719 0.7719 0.9806 0.9806 1.7073 1.7073 2.1350 2.1350 5.1767 5.1767 6.6723 6.6723 7.4481 7.4481 7.8230 7.8230 k = 0.2500-0.2900 0.2141 ( 4708 PWs) bands (ev): -14.6632 -14.6632 -14.5400 -14.5400 -11.6122 -11.6122 -11.3855 -11.3855 -5.4603 -5.4603 -4.2434 -4.2434 -4.0357 -4.0357 -3.8611 -3.8611 -3.0266 -3.0266 -2.6454 -2.6454 -2.3578 -2.3578 -1.8984 -1.8984 -1.4724 -1.4724 -1.1802 -1.1802 -0.8329 -0.8329 -0.6933 -0.6933 -0.4717 -0.4717 0.8060 0.8060 0.9660 0.9660 1.7303 1.7303 2.1408 2.1408 5.1631 5.1631 6.6905 6.6905 7.4328 7.4328 7.8497 7.8497 k = 0.2396-0.2779 0.2051 ( 4707 PWs) bands (ev): -14.6674 -14.6674 -14.5386 -14.5386 -11.6141 -11.6141 -11.3856 -11.3856 -5.4638 -5.4638 -4.2448 -4.2448 -4.0413 -4.0413 -3.8634 -3.8634 -3.0322 -3.0322 -2.6546 -2.6546 -2.3522 -2.3522 -1.8968 -1.8968 -1.4449 -1.4449 -1.1712 -1.1712 -0.8292 -0.8292 -0.6909 -0.6909 -0.4832 -0.4832 0.8399 0.8399 0.9516 0.9516 1.7525 1.7525 2.1473 2.1473 5.1485 5.1485 6.7080 6.7080 7.4167 7.4167 7.8769 7.8769 k = 0.2292-0.2658 0.1962 ( 4701 PWs) bands (ev): -14.6716 -14.6716 -14.5372 -14.5372 -11.6158 -11.6158 -11.3858 -11.3858 -5.4674 -5.4674 -4.2463 -4.2463 -4.0466 -4.0466 -3.8657 -3.8657 -3.0382 -3.0382 -2.6633 -2.6633 -2.3465 -2.3465 -1.8955 -1.8955 -1.4181 -1.4181 -1.1618 -1.1618 -0.8253 -0.8253 -0.6884 -0.6884 -0.4936 -0.4936 0.8723 0.8723 0.9389 0.9389 1.7736 1.7736 2.1549 2.1549 5.1330 5.1330 6.7246 6.7246 7.3998 7.3998 7.9044 7.9044 k = 0.2188-0.2537 0.1873 ( 4699 PWs) bands (ev): -14.6757 -14.6757 -14.5358 -14.5358 -11.6174 -11.6174 -11.3861 -11.3861 -5.4710 -5.4710 -4.2481 -4.2481 -4.0514 -4.0514 -3.8680 -3.8680 -3.0446 -3.0446 -2.6717 -2.6717 -2.3407 -2.3407 -1.8943 -1.8943 -1.3921 -1.3921 -1.1516 -1.1516 -0.8211 -0.8211 -0.6862 -0.6862 -0.5026 -0.5026 0.8950 0.8950 0.9358 0.9358 1.7932 1.7932 2.1638 2.1638 5.1167 5.1167 6.7402 6.7402 7.3823 7.3823 7.9314 7.9314 k = 0.2083-0.2416 0.1784 ( 4692 PWs) bands (ev): -14.6798 -14.6798 -14.5345 -14.5345 -11.6190 -11.6190 -11.3865 -11.3865 -5.4746 -5.4746 -4.2502 -4.2502 -4.0557 -4.0557 -3.8704 -3.8704 -3.0512 -3.0512 -2.6796 -2.6796 -2.3350 -2.3350 -1.8935 -1.8935 -1.3674 -1.3674 -1.1404 -1.1404 -0.8168 -0.8168 -0.6848 -0.6848 -0.5099 -0.5099 0.8926 0.8926 0.9581 0.9581 1.8109 1.8109 2.1741 2.1741 5.0997 5.0997 6.7544 6.7544 7.3644 7.3644 7.9573 7.9573 k = 0.1979-0.2296 0.1695 ( 4691 PWs) bands (ev): -14.6838 -14.6838 -14.5331 -14.5331 -11.6204 -11.6204 -11.3869 -11.3869 -5.4783 -5.4783 -4.2526 -4.2526 -4.0592 -4.0592 -3.8728 -3.8728 -3.0582 -3.0582 -2.6873 -2.6873 -2.3293 -2.3293 -1.8929 -1.8929 -1.3442 -1.3442 -1.1279 -1.1279 -0.8124 -0.8124 -0.6845 -0.6845 -0.5154 -0.5154 0.8797 0.8797 0.9910 0.9910 1.8263 1.8263 2.1861 2.1861 5.0821 5.0821 6.7672 6.7672 7.3461 7.3461 7.9809 7.9809 k = 0.1875-0.2175 0.1605 ( 4693 PWs) bands (ev): -14.6877 -14.6877 -14.5318 -14.5318 -11.6217 -11.6217 -11.3874 -11.3874 -5.4819 -5.4819 -4.2554 -4.2554 -4.0620 -4.0620 -3.8752 -3.8752 -3.0652 -3.0652 -2.6946 -2.6946 -2.3237 -2.3237 -1.8926 -1.8926 -1.3226 -1.3226 -1.1137 -1.1137 -0.8079 -0.8079 -0.6854 -0.6854 -0.5190 -0.5190 0.8649 0.8649 1.0261 1.0261 1.8391 1.8391 2.1999 2.1999 5.0641 5.0641 6.7782 6.7782 7.3279 7.3279 8.0008 8.0008 k = 0.1771-0.2054 0.1516 ( 4694 PWs) bands (ev): -14.6915 -14.6915 -14.5306 -14.5306 -11.6229 -11.6229 -11.3880 -11.3880 -5.4855 -5.4855 -4.2584 -4.2584 -4.0640 -4.0640 -3.8776 -3.8776 -3.0724 -3.0724 -2.7017 -2.7017 -2.3182 -2.3182 -1.8927 -1.8927 -1.3027 -1.3027 -1.0980 -1.0980 -0.8035 -0.8035 -0.6876 -0.6876 -0.5208 -0.5208 0.8496 0.8496 1.0618 1.0618 1.8492 1.8492 2.2154 2.2154 5.0458 5.0458 6.7872 6.7872 7.3099 7.3099 8.0155 8.0155 k = 0.1667-0.1933 0.1427 ( 4695 PWs) bands (ev): -14.6951 -14.6951 -14.5293 -14.5293 -11.6240 -11.6240 -11.3886 -11.3886 -5.4891 -5.4891 -4.2618 -4.2618 -4.0652 -4.0652 -3.8801 -3.8801 -3.0796 -3.0796 -2.7085 -2.7085 -2.3128 -2.3128 -1.8930 -1.8930 -1.2847 -1.2847 -1.0808 -1.0808 -0.7992 -0.7992 -0.6909 -0.6909 -0.5211 -0.5211 0.8344 0.8344 1.0977 1.0977 1.8564 1.8564 2.2324 2.2324 5.0274 5.0274 6.7942 6.7942 7.2924 7.2924 8.0237 8.0237 k = 0.1562-0.1812 0.1338 ( 4692 PWs) bands (ev): -14.6986 -14.6986 -14.5282 -14.5282 -11.6250 -11.6250 -11.3892 -11.3892 -5.4926 -5.4926 -4.2655 -4.2655 -4.0656 -4.0656 -3.8827 -3.8827 -3.0869 -3.0869 -2.7150 -2.7150 -2.3076 -2.3076 -1.8936 -1.8936 -1.2683 -1.2683 -1.0623 -1.0623 -0.7951 -0.7951 -0.6951 -0.6951 -0.5200 -0.5200 0.8195 0.8195 1.1337 1.1337 1.8608 1.8608 2.2508 2.2508 5.0089 5.0089 6.7989 6.7989 7.2758 7.2758 8.0252 8.0252 k = 0.1458-0.1691 0.1249 ( 4689 PWs) bands (ev): -14.7020 -14.7020 -14.5271 -14.5271 -11.6259 -11.6259 -11.3899 -11.3899 -5.4960 -5.4960 -4.2695 -4.2695 -4.0652 -4.0652 -3.8853 -3.8853 -3.0940 -3.0940 -2.7212 -2.7212 -2.3027 -2.3027 -1.8944 -1.8944 -1.2535 -1.2535 -1.0429 -1.0429 -0.7912 -0.7912 -0.6999 -0.6999 -0.5179 -0.5179 0.8049 0.8049 1.1696 1.1696 1.8626 1.8626 2.2702 2.2702 4.9907 4.9907 6.8013 6.8013 7.2603 7.2603 8.0214 8.0214 k = 0.1354-0.1571 0.1159 ( 4686 PWs) bands (ev): -14.7052 -14.7052 -14.5260 -14.5260 -11.6267 -11.6267 -11.3905 -11.3905 -5.4993 -5.4993 -4.2735 -4.2735 -4.0641 -4.0641 -3.8880 -3.8880 -3.1010 -3.1010 -2.7272 -2.7272 -2.2979 -2.2979 -1.8953 -1.8953 -1.2400 -1.2400 -1.0231 -1.0231 -0.7876 -0.7876 -0.7050 -0.7050 -0.5152 -0.5152 0.7908 0.7908 1.2053 1.2053 1.8618 1.8618 2.2902 2.2902 4.9727 4.9727 6.8014 6.8014 7.2462 7.2462 8.0141 8.0141 k = 0.1250-0.1450 0.1070 ( 4687 PWs) bands (ev): -14.7082 -14.7082 -14.5250 -14.5250 -11.6274 -11.6274 -11.3912 -11.3912 -5.5025 -5.5025 -4.2777 -4.2777 -4.0624 -4.0624 -3.8907 -3.8907 -3.1078 -3.1078 -2.7328 -2.7328 -2.2934 -2.2934 -1.8965 -1.8965 -1.2278 -1.2278 -1.0032 -1.0032 -0.7843 -0.7843 -0.7100 -0.7100 -0.5122 -0.5122 0.7774 0.7774 1.2407 1.2407 1.8587 1.8587 2.3104 2.3104 4.9553 4.9553 6.7994 6.7994 7.2336 7.2336 8.0049 8.0049 k = 0.1146-0.1329 0.0981 ( 4683 PWs) bands (ev): -14.7110 -14.7110 -14.5240 -14.5240 -11.6281 -11.6281 -11.3918 -11.3918 -5.5055 -5.5055 -4.2819 -4.2819 -4.0601 -4.0601 -3.8934 -3.8934 -3.1144 -3.1144 -2.7381 -2.7381 -2.2892 -2.2892 -1.8977 -1.8977 -1.2166 -1.2166 -0.9836 -0.9836 -0.7813 -0.7813 -0.7147 -0.7147 -0.5091 -0.5091 0.7646 0.7646 1.2756 1.2756 1.8534 1.8534 2.3304 2.3304 4.9386 4.9386 6.7953 6.7953 7.2227 7.2227 7.9952 7.9952 k = 0.1042-0.1208 0.0892 ( 4681 PWs) bands (ev): -14.7136 -14.7136 -14.5232 -14.5232 -11.6286 -11.6286 -11.3925 -11.3925 -5.5083 -5.5083 -4.2860 -4.2860 -4.0574 -4.0574 -3.8961 -3.8961 -3.1207 -3.1207 -2.7430 -2.7430 -2.2853 -2.2853 -1.8989 -1.8989 -1.2064 -1.2064 -0.9649 -0.9649 -0.7786 -0.7786 -0.7188 -0.7188 -0.5061 -0.5061 0.7527 0.7527 1.3100 1.3100 1.8462 1.8462 2.3499 2.3499 4.9227 4.9227 6.7895 6.7895 7.2133 7.2133 7.9855 7.9855 k = 0.0938-0.1087 0.0803 ( 4675 PWs) bands (ev): -14.7160 -14.7160 -14.5223 -14.5223 -11.6291 -11.6291 -11.3931 -11.3931 -5.5110 -5.5110 -4.2899 -4.2899 -4.0544 -4.0544 -3.8988 -3.8988 -3.1266 -3.1266 -2.7475 -2.7475 -2.2817 -2.2817 -1.9002 -1.9002 -1.1972 -1.1972 -0.9473 -0.9473 -0.7763 -0.7763 -0.7223 -0.7223 -0.5033 -0.5033 0.7416 0.7416 1.3435 1.3435 1.8372 1.8372 2.3685 2.3685 4.9077 4.9077 6.7825 6.7825 7.2055 7.2055 7.9763 7.9763 k = 0.0833-0.0967 0.0714 ( 4677 PWs) bands (ev): -14.7182 -14.7182 -14.5216 -14.5216 -11.6295 -11.6295 -11.3937 -11.3937 -5.5134 -5.5134 -4.2937 -4.2937 -4.0511 -4.0511 -3.9015 -3.9015 -3.1321 -3.1321 -2.7516 -2.7516 -2.2784 -2.2784 -1.9014 -1.9014 -1.1889 -1.1889 -0.9313 -0.9313 -0.7742 -0.7742 -0.7249 -0.7249 -0.5009 -0.5009 0.7315 0.7315 1.3762 1.3762 1.8268 1.8268 2.3860 2.3860 4.8940 4.8940 6.7746 6.7746 7.1991 7.1991 7.9680 7.9680 k = 0.0729-0.0846 0.0624 ( 4675 PWs) bands (ev): -14.7201 -14.7201 -14.5210 -14.5210 -11.6299 -11.6299 -11.3942 -11.3942 -5.5156 -5.5156 -4.2971 -4.2971 -4.0478 -4.0478 -3.9041 -3.9041 -3.1372 -3.1372 -2.7553 -2.7553 -2.2755 -2.2755 -1.9026 -1.9026 -1.1815 -1.1815 -0.9170 -0.9170 -0.7723 -0.7723 -0.7267 -0.7267 -0.4989 -0.4989 0.7224 0.7224 1.4076 1.4076 1.8150 1.8150 2.4019 2.4019 4.8815 4.8815 6.7663 6.7663 7.1940 7.1940 7.9606 7.9606 k = 0.0625-0.0725 0.0535 ( 4674 PWs) bands (ev): -14.7218 -14.7218 -14.5204 -14.5204 -11.6302 -11.6302 -11.3947 -11.3947 -5.5175 -5.5175 -4.3002 -4.3002 -4.0446 -4.0446 -3.9065 -3.9065 -3.1417 -3.1417 -2.7585 -2.7585 -2.2729 -2.2729 -1.9036 -1.9036 -1.1750 -1.1750 -0.9047 -0.9047 -0.7706 -0.7706 -0.7278 -0.7278 -0.4972 -0.4972 0.7144 0.7144 1.4376 1.4376 1.8021 1.8021 2.4162 2.4162 4.8704 4.8704 6.7580 6.7580 7.1899 7.1899 7.9542 7.9542 k = 0.0521-0.0604 0.0446 ( 4670 PWs) bands (ev): -14.7233 -14.7233 -14.5199 -14.5199 -11.6304 -11.6304 -11.3951 -11.3951 -5.5192 -5.5192 -4.3029 -4.3029 -4.0416 -4.0416 -3.9087 -3.9087 -3.1456 -3.1456 -2.7613 -2.7613 -2.2707 -2.2707 -1.9046 -1.9046 -1.1694 -1.1694 -0.8946 -0.8946 -0.7689 -0.7689 -0.7282 -0.7282 -0.4960 -0.4960 0.7075 0.7075 1.4657 1.4657 1.7886 1.7886 2.4287 2.4287 4.8608 4.8608 6.7503 6.7503 7.1868 7.1868 7.9489 7.9489 k = 0.0417-0.0483 0.0357 ( 4671 PWs) bands (ev): -14.7245 -14.7245 -14.5195 -14.5195 -11.6306 -11.6306 -11.3955 -11.3955 -5.5205 -5.5205 -4.3051 -4.3051 -4.0389 -4.0389 -3.9107 -3.9107 -3.1489 -3.1489 -2.7636 -2.7636 -2.2689 -2.2689 -1.9053 -1.9053 -1.1649 -1.1649 -0.8866 -0.8866 -0.7673 -0.7673 -0.7281 -0.7281 -0.4951 -0.4951 0.7019 0.7019 1.4914 1.4914 1.7750 1.7750 2.4390 2.4390 4.8528 4.8528 6.7435 6.7435 7.1844 7.1844 7.9445 7.9445 k = 0.0312-0.0362 0.0268 ( 4670 PWs) bands (ev): -14.7254 -14.7254 -14.5192 -14.5192 -11.6308 -11.6308 -11.3958 -11.3958 -5.5216 -5.5216 -4.3069 -4.3069 -4.0366 -4.0366 -3.9123 -3.9123 -3.1514 -3.1514 -2.7654 -2.7654 -2.2675 -2.2675 -1.9060 -1.9060 -1.1613 -1.1613 -0.8807 -0.8807 -0.7659 -0.7659 -0.7277 -0.7277 -0.4945 -0.4945 0.6974 0.6974 1.5137 1.5137 1.7620 1.7620 2.4472 2.4472 4.8465 4.8465 6.7378 6.7378 7.1827 7.1827 7.9412 7.9412 k = 0.0208-0.0242 0.0178 ( 4673 PWs) bands (ev): -14.7261 -14.7261 -14.5189 -14.5189 -11.6309 -11.6309 -11.3960 -11.3960 -5.5224 -5.5224 -4.3082 -4.3082 -4.0349 -4.0349 -3.9135 -3.9135 -3.1533 -3.1533 -2.7667 -2.7667 -2.2665 -2.2665 -1.9064 -1.9064 -1.1587 -1.1587 -0.8766 -0.8766 -0.7649 -0.7649 -0.7272 -0.7272 -0.4941 -0.4941 0.6942 0.6942 1.5316 1.5316 1.7508 1.7508 2.4532 2.4532 4.8420 4.8420 6.7336 6.7336 7.1815 7.1815 7.9388 7.9388 k = 0.0104-0.0121 0.0089 ( 4673 PWs) bands (ev): -14.7265 -14.7265 -14.5188 -14.5188 -11.6309 -11.6309 -11.3961 -11.3961 -5.5229 -5.5229 -4.3090 -4.3090 -4.0338 -4.0338 -3.9143 -3.9143 -3.1545 -3.1545 -2.7674 -2.7674 -2.2659 -2.2659 -1.9067 -1.9067 -1.1571 -1.1571 -0.8743 -0.8743 -0.7642 -0.7642 -0.7268 -0.7268 -0.4939 -0.4939 0.6922 0.6922 1.5434 1.5434 1.7431 1.7431 2.4568 2.4568 4.8392 4.8392 6.7310 6.7310 7.1808 7.1808 7.9374 7.9374 k = 0.0000 0.0000 0.0000 ( 4667 PWs) bands (ev): -14.7266 -14.7266 -14.5187 -14.5187 -11.6310 -11.6310 -11.3961 -11.3961 -5.5230 -5.5230 -4.3093 -4.3093 -4.0335 -4.0335 -3.9145 -3.9145 -3.1549 -3.1549 -2.7677 -2.7677 -2.2657 -2.2657 -1.9068 -1.9068 -1.1566 -1.1566 -0.8735 -0.8735 -0.7639 -0.7639 -0.7267 -0.7267 -0.4938 -0.4938 0.6916 0.6916 1.5476 1.5476 1.7403 1.7403 2.4580 2.4580 4.8383 4.8383 6.7301 6.7301 7.1806 7.1806 7.9369 7.9369 Writing output data file HgC2xSNx2.save init_run : 0.68s CPU 1.27s WALL ( 1 calls) electrons : 218.43s CPU 222.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 218.42s CPU 222.86s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.16s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 341 calls) cegterg : 200.74s CPU 203.16s WALL ( 575 calls) Called by sum_band: Called by *egterg: h_psi : 127.67s CPU 129.81s WALL ( 8312 calls) s_psi : 7.14s CPU 7.03s WALL ( 8312 calls) g_psi : 0.36s CPU 0.33s WALL ( 7396 calls) cdiaghg : 55.01s CPU 55.80s WALL ( 7737 calls) cegterg:over : 8.31s CPU 8.33s WALL ( 7396 calls) cegterg:upda : 6.80s CPU 6.91s WALL ( 7396 calls) cegterg:last : 4.12s CPU 4.11s WALL ( 1598 calls) cdiaghg:chol : 3.22s CPU 3.19s WALL ( 7737 calls) cdiaghg:inve : 2.22s CPU 2.13s WALL ( 7737 calls) cdiaghg:para : 3.44s CPU 3.27s WALL ( 15474 calls) Called by h_psi: h_psi:vloc : 110.99s CPU 112.86s WALL ( 8312 calls) h_psi:vnl : 16.43s CPU 16.62s WALL ( 8312 calls) add_vuspsi : 7.51s CPU 8.07s WALL ( 8312 calls) General routines calbec : 8.86s CPU 8.53s WALL ( 8312 calls) fft : 0.05s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.06s CPU 100.86s WALL ( 1012260 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.25s WALL ( 682 calls) Parallel routines fft_scatter : 31.00s CPU 31.52s WALL ( 1012283 calls) PWSCF : 3m56.22s CPU 4m32.64s WALL This run was terminated on: 16:24:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=