Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:40:32 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: ./NaInS2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 65 53 15 1518 1132 176 Max 66 54 16 1521 1148 177 Sum 2345 1939 561 54719 41081 6353 bravais-lattice index = 14 lattice parameter (alat) = 13.1398 a.u. unit-cell volume = 554.0507 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.139784 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.851451 celldm(5)= 0.851451 celldm(6)= 0.851451 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.851451 0.524434 0.000000 ) a(3) = ( 0.851451 0.241178 0.465687 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.623562 -0.987538 ) b(2) = ( 0.000000 1.906817 -0.987538 ) b(3) = ( 0.000000 0.000000 2.147366 ) 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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) In 13.00 114.81800 In( 1.00) Na 9.00 22.98980 Na( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0102041 -0.0165670 -0.0100769), wk = 0.0031056 k( 3) = ( 0.0204082 -0.0331339 -0.0201538), wk = 0.0031056 k( 4) = ( 0.0306122 -0.0497009 -0.0302307), wk = 0.0031056 k( 5) = ( 0.0408163 -0.0662678 -0.0403077), wk = 0.0031056 k( 6) = ( 0.0510204 -0.0828348 -0.0503846), wk = 0.0031056 k( 7) = ( 0.0612245 -0.0994017 -0.0604615), wk = 0.0031056 k( 8) = ( 0.0714286 -0.1159687 -0.0705384), wk = 0.0031056 k( 9) = ( 0.0816327 -0.1325356 -0.0806153), wk = 0.0031056 k( 10) = ( 0.0918367 -0.1491026 -0.0906922), wk = 0.0031056 k( 11) = ( 0.1020408 -0.1656696 -0.1007691), wk = 0.0031056 k( 12) = ( 0.1122449 -0.1822365 -0.1108460), wk = 0.0031056 k( 13) = ( 0.1224490 -0.1988035 -0.1209230), wk = 0.0031056 k( 14) = ( 0.1326531 -0.2153704 -0.1309999), wk = 0.0031056 k( 15) = ( 0.1428571 -0.2319374 -0.1410768), wk = 0.0031056 k( 16) = ( 0.1530612 -0.2485043 -0.1511537), wk = 0.0031056 k( 17) = ( 0.1632653 -0.2650713 -0.1612306), wk = 0.0031056 k( 18) = ( 0.1734694 -0.2816382 -0.1713075), wk = 0.0031056 k( 19) = ( 0.1836735 -0.2982052 -0.1813844), wk = 0.0031056 k( 20) = ( 0.1938776 -0.3147721 -0.1914614), wk = 0.0031056 k( 21) = ( 0.2040816 -0.3313391 -0.2015383), wk = 0.0031056 k( 22) = ( 0.2142857 -0.3479060 -0.2116152), wk = 0.0031056 k( 23) = ( 0.2244898 -0.3644730 -0.2216921), wk = 0.0031056 k( 24) = ( 0.2346939 -0.3810400 -0.2317690), wk = 0.0031056 k( 25) = ( 0.2448980 -0.3976069 -0.2418459), wk = 0.0031056 k( 26) = ( 0.2551020 -0.4141739 -0.2519228), wk = 0.0031056 k( 27) = ( 0.2653061 -0.4307408 -0.2619997), wk = 0.0031056 k( 28) = ( 0.2755102 -0.4473078 -0.2720767), wk = 0.0031056 k( 29) = ( 0.2857143 -0.4638747 -0.2821536), wk = 0.0031056 k( 30) = ( 0.2959184 -0.4804417 -0.2922305), wk = 0.0031056 k( 31) = ( 0.3061224 -0.4970086 -0.3023074), wk = 0.0031056 k( 32) = ( 0.3163265 -0.5135756 -0.3123843), wk = 0.0031056 k( 33) = ( 0.3265306 -0.5301425 -0.3224612), wk = 0.0031056 k( 34) = ( 0.3367347 -0.5467095 -0.3325381), wk = 0.0031056 k( 35) = ( 0.3469388 -0.5632765 -0.3426151), wk = 0.0031056 k( 36) = ( 0.3571429 -0.5798434 -0.3526920), wk = 0.0031056 k( 37) = ( 0.3673469 -0.5964104 -0.3627689), wk = 0.0031056 k( 38) = ( 0.3775510 -0.6129773 -0.3728458), wk = 0.0031056 k( 39) = ( 0.3877551 -0.6295443 -0.3829227), wk = 0.0031056 k( 40) = ( 0.3979592 -0.6461112 -0.3929996), wk = 0.0031056 k( 41) = ( 0.4081633 -0.6626782 -0.4030765), wk = 0.0031056 k( 42) = ( 0.4183674 -0.6792451 -0.4131535), wk = 0.0031056 k( 43) = ( 0.4285714 -0.6958121 -0.4232304), wk = 0.0031056 k( 44) = ( 0.4387755 -0.7123790 -0.4333073), wk = 0.0031056 k( 45) = ( 0.4489796 -0.7289460 -0.4433842), wk = 0.0031056 k( 46) = ( 0.4591837 -0.7455130 -0.4534611), wk = 0.0031056 k( 47) = ( 0.4693878 -0.7620799 -0.4635380), wk = 0.0031056 k( 48) = ( 0.4795918 -0.7786469 -0.4736149), wk = 0.0031056 k( 49) = ( 0.4897959 -0.7952138 -0.4836918), wk = 0.0031056 k( 50) = ( 0.5000000 -0.8117808 -0.4937688), wk = 0.0031056 k( 51) = ( 0.5000000 -0.8117808 -0.4937688), wk = 0.0031056 k( 52) = ( 0.5000000 -0.8004022 -0.5124757), wk = 0.0031056 k( 53) = ( 0.5000000 -0.7890237 -0.5311826), wk = 0.0031056 k( 54) = ( 0.5000000 -0.7776451 -0.5498895), wk = 0.0031056 k( 55) = ( 0.5000000 -0.7662666 -0.5685964), wk = 0.0031056 k( 56) = ( 0.5000000 -0.7548880 -0.5873033), wk = 0.0031056 k( 57) = ( 0.5000000 -0.7435095 -0.6060103), wk = 0.0031056 k( 58) = ( 0.5000000 -0.7321309 -0.6247172), wk = 0.0031056 k( 59) = ( 0.5000000 -0.7207524 -0.6434241), wk = 0.0031056 k( 60) = ( 0.5000000 -0.7093738 -0.6621310), wk = 0.0031056 k( 61) = ( 0.5000000 -0.6979952 -0.6808379), wk = 0.0031056 k( 62) = ( 0.5000000 -0.6866167 -0.6995449), wk = 0.0031056 k( 63) = ( 0.5000000 -0.6752381 -0.7182518), wk = 0.0031056 k( 64) = ( 0.5000000 -0.6638596 -0.7369587), wk = 0.0031056 k( 65) = ( 0.5000000 -0.6524810 -0.7556656), wk = 0.0031056 k( 66) = ( 0.5000000 -0.6411025 -0.7743725), wk = 0.0031056 k( 67) = ( 0.5000000 -0.6297239 -0.7930794), wk = 0.0031056 k( 68) = ( 0.5000000 -0.6183454 -0.8117864), wk = 0.0031056 k( 69) = ( 0.5000000 -0.6069668 -0.8304933), wk = 0.0031056 k( 70) = ( 0.5000000 -0.5955883 -0.8492002), wk = 0.0031056 k( 71) = ( 0.5000000 -0.5842097 -0.8679071), wk = 0.0031056 k( 72) = ( 0.5000000 -0.5728311 -0.8866140), wk = 0.0031056 k( 73) = ( 0.5000000 -0.5614526 -0.9053210), wk = 0.0031056 k( 74) = ( 0.5000000 -0.5500740 -0.9240279), wk = 0.0031056 k( 75) = ( 0.5000000 -0.5386955 -0.9427348), wk = 0.0031056 k( 76) = ( 0.5000000 -0.5273169 -0.9614417), wk = 0.0031056 k( 77) = ( 0.5000000 -0.5159384 -0.9801486), wk = 0.0031056 k( 78) = ( 0.5000000 -0.5045598 -0.9988555), wk = 0.0031056 k( 79) = ( 0.5000000 -0.4931813 -1.0175625), wk = 0.0031056 k( 80) = ( 0.5000000 -0.4818027 -1.0362694), wk = 0.0031056 k( 81) = ( 0.5000000 -0.4704242 -1.0549763), wk = 0.0031056 k( 82) = ( 0.5000000 -0.4590456 -1.0736832), wk = 0.0031056 k( 83) = ( 0.8150137 -0.3698162 -0.9013918), wk = 0.0031056 k( 84) = ( 0.8090700 -0.3601663 -0.8827590), wk = 0.0031056 k( 85) = ( 0.8031263 -0.3505164 -0.8641263), wk = 0.0031056 k( 86) = ( 0.7971827 -0.3408665 -0.8454935), wk = 0.0031056 k( 87) = ( 0.7912390 -0.3312166 -0.8268607), wk = 0.0031056 k( 88) = ( 0.7852954 -0.3215668 -0.8082279), wk = 0.0031056 k( 89) = ( 0.7793517 -0.3119169 -0.7895951), wk = 0.0031056 k( 90) = ( 0.7734081 -0.3022670 -0.7709623), wk = 0.0031056 k( 91) = ( 0.7674644 -0.2926171 -0.7523296), wk = 0.0031056 k( 92) = ( 0.7615208 -0.2829672 -0.7336968), wk = 0.0031056 k( 93) = ( 0.7555771 -0.2733173 -0.7150640), wk = 0.0031056 k( 94) = ( 0.7496335 -0.2636674 -0.6964312), wk = 0.0031056 k( 95) = ( 0.7436898 -0.2540175 -0.6777984), wk = 0.0031056 k( 96) = ( 0.7377461 -0.2443676 -0.6591657), wk = 0.0031056 k( 97) = ( 0.7318025 -0.2347178 -0.6405328), wk = 0.0031056 k( 98) = ( 0.7258588 -0.2250679 -0.6219001), wk = 0.0031056 k( 99) = ( 0.7199152 -0.2154180 -0.6032673), wk = 0.0031056 k( 100) = ( 0.7139715 -0.2057681 -0.5846345), wk = 0.0031056 k( 101) = ( 0.7080279 -0.1961182 -0.5660017), wk = 0.0031056 k( 102) = ( 0.7020842 -0.1864683 -0.5473690), wk = 0.0031056 k( 103) = ( 0.6961406 -0.1768184 -0.5287362), wk = 0.0031056 k( 104) = ( 0.6901969 -0.1671685 -0.5101034), wk = 0.0031056 k( 105) = ( 0.6842533 -0.1575186 -0.4914706), wk = 0.0031056 k( 106) = ( 0.6783096 -0.1478688 -0.4728378), wk = 0.0031056 k( 107) = ( 0.6723660 -0.1382189 -0.4542050), wk = 0.0031056 k( 108) = ( 0.6664223 -0.1285690 -0.4355722), wk = 0.0031056 k( 109) = ( 0.6604786 -0.1189191 -0.4169395), wk = 0.0031056 k( 110) = ( 0.6545350 -0.1092692 -0.3983067), wk = 0.0031056 k( 111) = ( 0.6485913 -0.0996193 -0.3796739), wk = 0.0031056 k( 112) = ( 0.6426477 -0.0899694 -0.3610411), wk = 0.0031056 k( 113) = ( 0.6367040 -0.0803196 -0.3424083), wk = 0.0031056 k( 114) = ( 0.6307604 -0.0706697 -0.3237755), wk = 0.0031056 k( 115) = ( 0.6248167 -0.0610198 -0.3051428), wk = 0.0031056 k( 116) = ( 0.6188731 -0.0513699 -0.2865100), wk = 0.0031056 k( 117) = ( 0.6129294 -0.0417200 -0.2678772), wk = 0.0031056 k( 118) = ( 0.6069858 -0.0320701 -0.2492444), wk = 0.0031056 k( 119) = ( 0.6010421 -0.0224202 -0.2306116), wk = 0.0031056 k( 120) = ( 0.5950985 -0.0127703 -0.2119788), wk = 0.0031056 k( 121) = ( 0.5891548 -0.0031205 -0.1933461), wk = 0.0031056 k( 122) = ( 0.5832112 0.0065294 -0.1747133), wk = 0.0031056 k( 123) = ( 0.5772675 0.0161793 -0.1560805), wk = 0.0031056 k( 124) = ( 0.5713238 0.0258292 -0.1374477), wk = 0.0031056 k( 125) = ( 0.5653802 0.0354791 -0.1188149), wk = 0.0031056 k( 126) = ( 0.5594365 0.0451290 -0.1001822), wk = 0.0031056 k( 127) = ( 0.5534929 0.0547789 -0.0815494), wk = 0.0031056 k( 128) = ( 0.5475492 0.0644288 -0.0629166), wk = 0.0031056 k( 129) = ( 0.5416056 0.0740786 -0.0442838), wk = 0.0031056 k( 130) = ( 0.5356619 0.0837285 -0.0256510), wk = 0.0031056 k( 131) = ( 0.5297183 0.0933784 -0.0070182), wk = 0.0031056 k( 132) = ( 0.5237746 0.1030283 0.0116146), wk = 0.0031056 k( 133) = ( 0.5178310 0.1126782 0.0302473), wk = 0.0031056 k( 134) = ( 0.5118873 0.1223281 0.0488801), wk = 0.0031056 k( 135) = ( 0.5059436 0.1319780 0.0675129), wk = 0.0031056 k( 136) = ( 0.5000000 0.1416279 0.0861457), wk = 0.0031056 k( 137) = ( 0.5000000 0.1416279 0.0861457), wk = 0.0031056 k( 138) = ( 0.4791667 0.1357267 0.0825563), wk = 0.0031056 k( 139) = ( 0.4583333 0.1298255 0.0789669), wk = 0.0031056 k( 140) = ( 0.4375000 0.1239244 0.0753775), wk = 0.0031056 k( 141) = ( 0.4166667 0.1180232 0.0717881), wk = 0.0031056 k( 142) = ( 0.3958333 0.1121221 0.0681987), wk = 0.0031056 k( 143) = ( 0.3750000 0.1062209 0.0646093), wk = 0.0031056 k( 144) = ( 0.3541667 0.1003197 0.0610199), wk = 0.0031056 k( 145) = ( 0.3333333 0.0944186 0.0574305), wk = 0.0031056 k( 146) = ( 0.3125000 0.0885174 0.0538411), wk = 0.0031056 k( 147) = ( 0.2916667 0.0826163 0.0502517), wk = 0.0031056 k( 148) = ( 0.2708333 0.0767151 0.0466622), wk = 0.0031056 k( 149) = ( 0.2500000 0.0708139 0.0430728), wk = 0.0031056 k( 150) = ( 0.2291667 0.0649128 0.0394834), wk = 0.0031056 k( 151) = ( 0.2083333 0.0590116 0.0358940), wk = 0.0031056 k( 152) = ( 0.1875000 0.0531104 0.0323046), wk = 0.0031056 k( 153) = ( 0.1666667 0.0472093 0.0287152), wk = 0.0031056 k( 154) = ( 0.1458333 0.0413081 0.0251258), wk = 0.0031056 k( 155) = ( 0.1250000 0.0354070 0.0215364), wk = 0.0031056 k( 156) = ( 0.1041667 0.0295058 0.0179470), wk = 0.0031056 k( 157) = ( 0.0833333 0.0236046 0.0143576), wk = 0.0031056 k( 158) = ( 0.0625000 0.0177035 0.0107682), wk = 0.0031056 k( 159) = ( 0.0416667 0.0118023 0.0071788), wk = 0.0031056 k( 160) = ( 0.0208333 0.0059012 0.0035894), wk = 0.0031056 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 163) = ( 0.0060086 -0.0097554 -0.0188365), wk = 0.0031056 k( 164) = ( 0.0120173 -0.0195108 -0.0376731), wk = 0.0031056 k( 165) = ( 0.0180260 -0.0292663 -0.0565097), wk = 0.0031056 k( 166) = ( 0.0240346 -0.0390217 -0.0753462), wk = 0.0031056 k( 167) = ( 0.0300433 -0.0487771 -0.0941827), wk = 0.0031056 k( 168) = ( 0.0360519 -0.0585325 -0.1130193), wk = 0.0031056 k( 169) = ( 0.0420606 -0.0682879 -0.1318558), wk = 0.0031056 k( 170) = ( 0.0480692 -0.0780433 -0.1506924), wk = 0.0031056 k( 171) = ( 0.0540779 -0.0877988 -0.1695289), wk = 0.0031056 k( 172) = ( 0.0600865 -0.0975542 -0.1883655), wk = 0.0031056 k( 173) = ( 0.0660952 -0.1073096 -0.2072020), wk = 0.0031056 k( 174) = ( 0.0721038 -0.1170650 -0.2260386), wk = 0.0031056 k( 175) = ( 0.0781125 -0.1268204 -0.2448751), wk = 0.0031056 k( 176) = ( 0.0841211 -0.1365758 -0.2637117), wk = 0.0031056 k( 177) = ( 0.0901298 -0.1463312 -0.2825482), wk = 0.0031056 k( 178) = ( 0.0961384 -0.1560867 -0.3013848), wk = 0.0031056 k( 179) = ( 0.1021471 -0.1658421 -0.3202213), wk = 0.0031056 k( 180) = ( 0.1081557 -0.1755975 -0.3390579), wk = 0.0031056 k( 181) = ( 0.1141644 -0.1853529 -0.3578944), wk = 0.0031056 k( 182) = ( 0.1201730 -0.1951083 -0.3767309), wk = 0.0031056 k( 183) = ( 0.1261817 -0.2048638 -0.3955675), wk = 0.0031056 k( 184) = ( 0.1321904 -0.2146192 -0.4144040), wk = 0.0031056 k( 185) = ( 0.1381990 -0.2243746 -0.4332406), wk = 0.0031056 k( 186) = ( 0.1442076 -0.2341300 -0.4520771), wk = 0.0031056 k( 187) = ( 0.1502163 -0.2438854 -0.4709137), wk = 0.0031056 k( 188) = ( 0.1562250 -0.2536408 -0.4897502), wk = 0.0031056 k( 189) = ( 0.1622336 -0.2633963 -0.5085868), wk = 0.0031056 k( 190) = ( 0.1682423 -0.2731517 -0.5274233), wk = 0.0031056 k( 191) = ( 0.1742509 -0.2829071 -0.5462599), wk = 0.0031056 k( 192) = ( 0.1802596 -0.2926625 -0.5650964), wk = 0.0031056 k( 193) = ( 0.1862682 -0.3024179 -0.5839330), wk = 0.0031056 k( 194) = ( 0.1922769 -0.3121733 -0.6027695), wk = 0.0031056 k( 195) = ( 0.1982855 -0.3219287 -0.6216061), wk = 0.0031056 k( 196) = ( 0.2042942 -0.3316842 -0.6404426), wk = 0.0031056 k( 197) = ( 0.2103028 -0.3414396 -0.6592792), wk = 0.0031056 k( 198) = ( 0.2163115 -0.3511950 -0.6781157), wk = 0.0031056 k( 199) = ( 0.2223201 -0.3609504 -0.6969522), wk = 0.0031056 k( 200) = ( 0.2283288 -0.3707058 -0.7157888), wk = 0.0031056 k( 201) = ( 0.2343374 -0.3804613 -0.7346254), wk = 0.0031056 k( 202) = ( 0.2403461 -0.3902167 -0.7534619), wk = 0.0031056 k( 203) = ( 0.2463547 -0.3999721 -0.7722984), wk = 0.0031056 k( 204) = ( 0.2523634 -0.4097275 -0.7911350), wk = 0.0031056 k( 205) = ( 0.2583721 -0.4194829 -0.8099716), wk = 0.0031056 k( 206) = ( 0.2643807 -0.4292383 -0.8288081), wk = 0.0031056 k( 207) = ( 0.2703893 -0.4389938 -0.8476446), wk = 0.0031056 k( 208) = ( 0.2763980 -0.4487492 -0.8664812), wk = 0.0031056 k( 209) = ( 0.2824066 -0.4585046 -0.8853177), wk = 0.0031056 k( 210) = ( 0.2884153 -0.4682600 -0.9041543), wk = 0.0031056 k( 211) = ( 0.2944240 -0.4780154 -0.9229908), wk = 0.0031056 k( 212) = ( 0.3004326 -0.4877708 -0.9418274), wk = 0.0031056 k( 213) = ( 0.3064413 -0.4975262 -0.9606639), wk = 0.0031056 k( 214) = ( 0.3124499 -0.5072817 -0.9795005), wk = 0.0031056 k( 215) = ( 0.3184586 -0.5170371 -0.9983370), wk = 0.0031056 k( 216) = ( 0.3244672 -0.5267925 -1.0171736), wk = 0.0031056 k( 217) = ( 0.3304759 -0.5365479 -1.0360101), wk = 0.0031056 k( 218) = ( 0.3364845 -0.5463033 -1.0548466), wk = 0.0031056 k( 219) = ( 0.3424932 -0.5560588 -1.0736832), wk = 0.0031056 k( 220) = ( 0.6575068 -0.4144309 -0.9875375), wk = 0.0031056 k( 221) = ( 0.6516732 -0.3938361 -0.9875375), wk = 0.0031056 k( 222) = ( 0.6458396 -0.3732414 -0.9875375), wk = 0.0031056 k( 223) = ( 0.6400061 -0.3526466 -0.9875375), wk = 0.0031056 k( 224) = ( 0.6341725 -0.3320518 -0.9875375), wk = 0.0031056 k( 225) = ( 0.6283389 -0.3114570 -0.9875375), wk = 0.0031056 k( 226) = ( 0.6225053 -0.2908623 -0.9875375), wk = 0.0031056 k( 227) = ( 0.6166717 -0.2702675 -0.9875375), wk = 0.0031056 k( 228) = ( 0.6108381 -0.2496727 -0.9875375), wk = 0.0031056 k( 229) = ( 0.6050045 -0.2290780 -0.9875375), wk = 0.0031056 k( 230) = ( 0.5991710 -0.2084832 -0.9875375), wk = 0.0031056 k( 231) = ( 0.5933374 -0.1878885 -0.9875375), wk = 0.0031056 k( 232) = ( 0.5875038 -0.1672937 -0.9875375), wk = 0.0031056 k( 233) = ( 0.5816702 -0.1466989 -0.9875375), wk = 0.0031056 k( 234) = ( 0.5758366 -0.1261041 -0.9875375), wk = 0.0031056 k( 235) = ( 0.5700030 -0.1055094 -0.9875375), wk = 0.0031056 k( 236) = ( 0.5641694 -0.0849146 -0.9875375), wk = 0.0031056 k( 237) = ( 0.5583359 -0.0643198 -0.9875375), wk = 0.0031056 k( 238) = ( 0.5525023 -0.0437250 -0.9875375), wk = 0.0031056 k( 239) = ( 0.5466687 -0.0231303 -0.9875375), wk = 0.0031056 k( 240) = ( 0.5408351 -0.0025355 -0.9875375), wk = 0.0031056 k( 241) = ( 0.5350015 0.0180592 -0.9875375), wk = 0.0031056 k( 242) = ( 0.5291679 0.0386540 -0.9875375), wk = 0.0031056 k( 243) = ( 0.5233343 0.0592488 -0.9875375), wk = 0.0031056 k( 244) = ( 0.5175008 0.0798435 -0.9875375), wk = 0.0031056 k( 245) = ( 0.5116672 0.1004383 -0.9875375), wk = 0.0031056 k( 246) = ( 0.5058336 0.1210331 -0.9875375), wk = 0.0031056 k( 247) = ( 0.5000000 0.1416279 -0.9875375), wk = 0.0031056 k( 248) = ( 0.5000000 0.1416279 -0.9875375), wk = 0.0031056 k( 249) = ( 0.5175008 0.1465851 -0.9779658), wk = 0.0031056 k( 250) = ( 0.5350015 0.1515422 -0.9683940), wk = 0.0031056 k( 251) = ( 0.5525023 0.1564994 -0.9588223), wk = 0.0031056 k( 252) = ( 0.5700030 0.1614566 -0.9492505), wk = 0.0031056 k( 253) = ( 0.5875038 0.1664138 -0.9396788), wk = 0.0031056 k( 254) = ( 0.6050045 0.1713710 -0.9301070), wk = 0.0031056 k( 255) = ( 0.6225053 0.1763282 -0.9205353), wk = 0.0031056 k( 256) = ( 0.6400061 0.1812854 -0.9109636), wk = 0.0031056 k( 257) = ( 0.6575068 0.1862426 -0.9013918), wk = 0.0031056 k( 258) = ( 0.6575068 0.1862426 -0.9013918), wk = 0.0031056 k( 259) = ( 0.6540828 0.1852727 -0.8799236), wk = 0.0031056 k( 260) = ( 0.6506587 0.1843028 -0.8584554), wk = 0.0031056 k( 261) = ( 0.6472346 0.1833329 -0.8369872), wk = 0.0031056 k( 262) = ( 0.6438106 0.1823630 -0.8155190), wk = 0.0031056 k( 263) = ( 0.6403865 0.1813931 -0.7940508), wk = 0.0031056 k( 264) = ( 0.6369625 0.1804233 -0.7725826), wk = 0.0031056 k( 265) = ( 0.6335384 0.1794534 -0.7511144), wk = 0.0031056 k( 266) = ( 0.6301143 0.1784835 -0.7296462), wk = 0.0031056 k( 267) = ( 0.6266903 0.1775136 -0.7081780), wk = 0.0031056 k( 268) = ( 0.6232662 0.1765437 -0.6867098), wk = 0.0031056 k( 269) = ( 0.6198421 0.1755738 -0.6652416), wk = 0.0031056 k( 270) = ( 0.6164181 0.1746040 -0.6437733), wk = 0.0031056 k( 271) = ( 0.6129940 0.1736341 -0.6223051), wk = 0.0031056 k( 272) = ( 0.6095700 0.1726642 -0.6008369), wk = 0.0031056 k( 273) = ( 0.6061459 0.1716943 -0.5793687), wk = 0.0031056 k( 274) = ( 0.6027218 0.1707244 -0.5579005), wk = 0.0031056 k( 275) = ( 0.5992978 0.1697545 -0.5364323), wk = 0.0031056 k( 276) = ( 0.5958737 0.1687846 -0.5149641), wk = 0.0031056 k( 277) = ( 0.5924497 0.1678148 -0.4934959), wk = 0.0031056 k( 278) = ( 0.5890256 0.1668449 -0.4720277), wk = 0.0031056 k( 279) = ( 0.5856015 0.1658750 -0.4505595), wk = 0.0031056 k( 280) = ( 0.5821775 0.1649051 -0.4290913), wk = 0.0031056 k( 281) = ( 0.5787534 0.1639352 -0.4076231), wk = 0.0031056 k( 282) = ( 0.5753293 0.1629653 -0.3861549), wk = 0.0031056 k( 283) = ( 0.5719053 0.1619954 -0.3646867), wk = 0.0031056 k( 284) = ( 0.5684812 0.1610256 -0.3432185), wk = 0.0031056 k( 285) = ( 0.5650572 0.1600557 -0.3217502), wk = 0.0031056 k( 286) = ( 0.5616331 0.1590858 -0.3002820), wk = 0.0031056 k( 287) = ( 0.5582090 0.1581159 -0.2788138), wk = 0.0031056 k( 288) = ( 0.5547850 0.1571460 -0.2573456), wk = 0.0031056 k( 289) = ( 0.5513609 0.1561761 -0.2358774), wk = 0.0031056 k( 290) = ( 0.5479369 0.1552063 -0.2144092), wk = 0.0031056 k( 291) = ( 0.5445128 0.1542364 -0.1929410), wk = 0.0031056 k( 292) = ( 0.5410887 0.1532665 -0.1714728), wk = 0.0031056 k( 293) = ( 0.5376647 0.1522966 -0.1500046), wk = 0.0031056 k( 294) = ( 0.5342406 0.1513267 -0.1285364), wk = 0.0031056 k( 295) = ( 0.5308166 0.1503568 -0.1070682), wk = 0.0031056 k( 296) = ( 0.5273925 0.1493869 -0.0856000), wk = 0.0031056 k( 297) = ( 0.5239684 0.1484171 -0.0641318), wk = 0.0031056 k( 298) = ( 0.5205444 0.1474472 -0.0426636), wk = 0.0031056 k( 299) = ( 0.5171203 0.1464773 -0.0211953), wk = 0.0031056 k( 300) = ( 0.5136962 0.1455074 0.0002729), wk = 0.0031056 k( 301) = ( 0.5102722 0.1445375 0.0217411), wk = 0.0031056 k( 302) = ( 0.5068481 0.1435676 0.0432093), wk = 0.0031056 k( 303) = ( 0.5034241 0.1425977 0.0646775), wk = 0.0031056 k( 304) = ( 0.5000000 0.1416279 0.0861457), wk = 0.0031056 k( 305) = ( 0.5000000 -0.8117808 -0.4937688), wk = 0.0031056 k( 306) = ( 0.5185302 -0.8034497 -0.4887014), wk = 0.0031056 k( 307) = ( 0.5370604 -0.7951187 -0.4836340), wk = 0.0031056 k( 308) = ( 0.5555906 -0.7867876 -0.4785666), wk = 0.0031056 k( 309) = ( 0.5741209 -0.7784566 -0.4734992), wk = 0.0031056 k( 310) = ( 0.5926511 -0.7701255 -0.4684318), wk = 0.0031056 k( 311) = ( 0.6111813 -0.7617945 -0.4633644), wk = 0.0031056 k( 312) = ( 0.6297115 -0.7534634 -0.4582970), wk = 0.0031056 k( 313) = ( 0.6482417 -0.7451324 -0.4532296), wk = 0.0031056 k( 314) = ( 0.6667719 -0.7368013 -0.4481622), wk = 0.0031056 k( 315) = ( 0.6853022 -0.7284703 -0.4430948), wk = 0.0031056 k( 316) = ( 0.7038324 -0.7201392 -0.4380274), wk = 0.0031056 k( 317) = ( 0.7223626 -0.7118082 -0.4329600), wk = 0.0031056 k( 318) = ( 0.7408928 -0.7034771 -0.4278926), wk = 0.0031056 k( 319) = ( 0.7594230 -0.6951461 -0.4228253), wk = 0.0031056 k( 320) = ( 0.7779532 -0.6868150 -0.4177579), wk = 0.0031056 k( 321) = ( 0.7964834 -0.6784840 -0.4126905), wk = 0.0031056 k( 322) = ( 0.8150137 -0.6701529 -0.4076231), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0102041 -0.0000000 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0204082 -0.0000000 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0306122 0.0000000 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0408163 -0.0000000 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0510204 0.0000000 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0612245 0.0000000 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0031056 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0031056 k( 11) = ( 0.1020408 0.0000000 -0.0000000), wk = 0.0031056 k( 12) = ( 0.1122449 0.0000000 -0.0000000), wk = 0.0031056 k( 13) = ( 0.1224490 0.0000000 -0.0000000), wk = 0.0031056 k( 14) = ( 0.1326531 0.0000000 -0.0000000), wk = 0.0031056 k( 15) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0031056 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0031056 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0031056 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0031056 k( 19) = ( 0.1836735 -0.0000000 0.0000000), wk = 0.0031056 k( 20) = ( 0.1938776 -0.0000000 -0.0000000), wk = 0.0031056 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0031056 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0031056 k( 23) = ( 0.2244898 0.0000000 -0.0000000), wk = 0.0031056 k( 24) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0031056 k( 25) = ( 0.2448980 0.0000000 -0.0000000), wk = 0.0031056 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0031056 k( 27) = ( 0.2653061 0.0000000 -0.0000000), wk = 0.0031056 k( 28) = ( 0.2755102 -0.0000000 -0.0000000), wk = 0.0031056 k( 29) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0031056 k( 30) = ( 0.2959184 -0.0000000 0.0000000), wk = 0.0031056 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0031056 k( 32) = ( 0.3163265 0.0000000 -0.0000000), wk = 0.0031056 k( 33) = ( 0.3265306 -0.0000000 -0.0000000), wk = 0.0031056 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0031056 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0031056 k( 36) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0031056 k( 37) = ( 0.3673469 -0.0000000 0.0000000), wk = 0.0031056 k( 38) = ( 0.3775510 0.0000000 -0.0000000), wk = 0.0031056 k( 39) = ( 0.3877551 -0.0000000 -0.0000000), wk = 0.0031056 k( 40) = ( 0.3979592 0.0000000 0.0000000), wk = 0.0031056 k( 41) = ( 0.4081633 0.0000000 -0.0000000), wk = 0.0031056 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0031056 k( 43) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0031056 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0031056 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0031056 k( 46) = ( 0.4591837 0.0000000 -0.0000000), wk = 0.0031056 k( 47) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0031056 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0031056 k( 49) = ( 0.4897959 0.0000000 -0.0000000), wk = 0.0031056 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031056 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031056 k( 52) = ( 0.5000000 0.0059673 -0.0059673), wk = 0.0031056 k( 53) = ( 0.5000000 0.0119346 -0.0119346), wk = 0.0031056 k( 54) = ( 0.5000000 0.0179019 -0.0179019), wk = 0.0031056 k( 55) = ( 0.5000000 0.0238692 -0.0238692), wk = 0.0031056 k( 56) = ( 0.5000000 0.0298365 -0.0298365), wk = 0.0031056 k( 57) = ( 0.5000000 0.0358038 -0.0358038), wk = 0.0031056 k( 58) = ( 0.5000000 0.0417711 -0.0417711), wk = 0.0031056 k( 59) = ( 0.5000000 0.0477384 -0.0477384), wk = 0.0031056 k( 60) = ( 0.5000000 0.0537057 -0.0537057), wk = 0.0031056 k( 61) = ( 0.5000000 0.0596730 -0.0596730), wk = 0.0031056 k( 62) = ( 0.5000000 0.0656403 -0.0656403), wk = 0.0031056 k( 63) = ( 0.5000000 0.0716076 -0.0716076), wk = 0.0031056 k( 64) = ( 0.5000000 0.0775749 -0.0775749), wk = 0.0031056 k( 65) = ( 0.5000000 0.0835422 -0.0835422), wk = 0.0031056 k( 66) = ( 0.5000000 0.0895095 -0.0895095), wk = 0.0031056 k( 67) = ( 0.5000000 0.0954768 -0.0954768), wk = 0.0031056 k( 68) = ( 0.5000000 0.1014441 -0.1014441), wk = 0.0031056 k( 69) = ( 0.5000000 0.1074114 -0.1074114), wk = 0.0031056 k( 70) = ( 0.5000000 0.1133787 -0.1133787), wk = 0.0031056 k( 71) = ( 0.5000000 0.1193460 -0.1193460), wk = 0.0031056 k( 72) = ( 0.5000000 0.1253133 -0.1253133), wk = 0.0031056 k( 73) = ( 0.5000000 0.1312806 -0.1312806), wk = 0.0031056 k( 74) = ( 0.5000000 0.1372479 -0.1372479), wk = 0.0031056 k( 75) = ( 0.5000000 0.1432152 -0.1432152), wk = 0.0031056 k( 76) = ( 0.5000000 0.1491825 -0.1491825), wk = 0.0031056 k( 77) = ( 0.5000000 0.1551498 -0.1551498), wk = 0.0031056 k( 78) = ( 0.5000000 0.1611171 -0.1611171), wk = 0.0031056 k( 79) = ( 0.5000000 0.1670844 -0.1670844), wk = 0.0031056 k( 80) = ( 0.5000000 0.1730518 -0.1730518), wk = 0.0031056 k( 81) = ( 0.5000000 0.1790191 -0.1790191), wk = 0.0031056 k( 82) = ( 0.5000000 0.1849863 -0.1849863), wk = 0.0031056 k( 83) = ( 0.8150137 0.5000000 0.1849864), wk = 0.0031056 k( 84) = ( 0.8090700 0.5000000 0.1909300), wk = 0.0031056 k( 85) = ( 0.8031263 0.5000000 0.1968737), wk = 0.0031056 k( 86) = ( 0.7971827 0.5000000 0.2028173), wk = 0.0031056 k( 87) = ( 0.7912390 0.5000000 0.2087610), wk = 0.0031056 k( 88) = ( 0.7852954 0.5000000 0.2147046), wk = 0.0031056 k( 89) = ( 0.7793517 0.5000000 0.2206483), wk = 0.0031056 k( 90) = ( 0.7734081 0.5000000 0.2265919), wk = 0.0031056 k( 91) = ( 0.7674644 0.5000000 0.2325356), wk = 0.0031056 k( 92) = ( 0.7615208 0.5000000 0.2384792), wk = 0.0031056 k( 93) = ( 0.7555771 0.5000000 0.2444229), wk = 0.0031056 k( 94) = ( 0.7496335 0.5000000 0.2503665), wk = 0.0031056 k( 95) = ( 0.7436898 0.5000000 0.2563102), wk = 0.0031056 k( 96) = ( 0.7377461 0.5000000 0.2622539), wk = 0.0031056 k( 97) = ( 0.7318025 0.5000000 0.2681975), wk = 0.0031056 k( 98) = ( 0.7258588 0.5000000 0.2741412), wk = 0.0031056 k( 99) = ( 0.7199152 0.5000000 0.2800848), wk = 0.0031056 k( 100) = ( 0.7139715 0.5000000 0.2860285), wk = 0.0031056 k( 101) = ( 0.7080279 0.5000000 0.2919721), wk = 0.0031056 k( 102) = ( 0.7020842 0.5000000 0.2979158), wk = 0.0031056 k( 103) = ( 0.6961406 0.5000000 0.3038594), wk = 0.0031056 k( 104) = ( 0.6901969 0.5000000 0.3098031), wk = 0.0031056 k( 105) = ( 0.6842533 0.5000000 0.3157467), wk = 0.0031056 k( 106) = ( 0.6783096 0.5000000 0.3216904), wk = 0.0031056 k( 107) = ( 0.6723660 0.5000000 0.3276340), wk = 0.0031056 k( 108) = ( 0.6664223 0.5000000 0.3335777), wk = 0.0031056 k( 109) = ( 0.6604786 0.5000000 0.3395213), wk = 0.0031056 k( 110) = ( 0.6545350 0.5000000 0.3454650), wk = 0.0031056 k( 111) = ( 0.6485913 0.5000000 0.3514087), wk = 0.0031056 k( 112) = ( 0.6426477 0.5000000 0.3573523), wk = 0.0031056 k( 113) = ( 0.6367040 0.5000000 0.3632960), wk = 0.0031056 k( 114) = ( 0.6307604 0.5000000 0.3692396), wk = 0.0031056 k( 115) = ( 0.6248167 0.5000000 0.3751833), wk = 0.0031056 k( 116) = ( 0.6188731 0.5000000 0.3811269), wk = 0.0031056 k( 117) = ( 0.6129294 0.5000000 0.3870706), wk = 0.0031056 k( 118) = ( 0.6069858 0.5000000 0.3930142), wk = 0.0031056 k( 119) = ( 0.6010421 0.5000000 0.3989579), wk = 0.0031056 k( 120) = ( 0.5950985 0.5000000 0.4049015), wk = 0.0031056 k( 121) = ( 0.5891548 0.5000000 0.4108452), wk = 0.0031056 k( 122) = ( 0.5832112 0.5000000 0.4167889), wk = 0.0031056 k( 123) = ( 0.5772675 0.5000000 0.4227325), wk = 0.0031056 k( 124) = ( 0.5713238 0.5000000 0.4286762), wk = 0.0031056 k( 125) = ( 0.5653802 0.5000000 0.4346198), wk = 0.0031056 k( 126) = ( 0.5594365 0.5000000 0.4405635), wk = 0.0031056 k( 127) = ( 0.5534929 0.5000000 0.4465071), wk = 0.0031056 k( 128) = ( 0.5475492 0.5000000 0.4524508), wk = 0.0031056 k( 129) = ( 0.5416056 0.5000000 0.4583944), wk = 0.0031056 k( 130) = ( 0.5356619 0.5000000 0.4643381), wk = 0.0031056 k( 131) = ( 0.5297183 0.5000000 0.4702817), wk = 0.0031056 k( 132) = ( 0.5237746 0.5000000 0.4762254), wk = 0.0031056 k( 133) = ( 0.5178310 0.5000000 0.4821690), wk = 0.0031056 k( 134) = ( 0.5118873 0.5000000 0.4881127), wk = 0.0031056 k( 135) = ( 0.5059436 0.5000000 0.4940563), wk = 0.0031056 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 138) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 139) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 140) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 141) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 142) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 143) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 144) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 145) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 146) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 147) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 148) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 149) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 150) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 151) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 152) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 153) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 154) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 155) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 156) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 157) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 158) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 159) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 160) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 163) = ( 0.0060086 -0.0000000 -0.0060086), wk = 0.0031056 k( 164) = ( 0.0120173 -0.0000000 -0.0120173), wk = 0.0031056 k( 165) = ( 0.0180260 -0.0000000 -0.0180260), wk = 0.0031056 k( 166) = ( 0.0240346 -0.0000000 -0.0240346), wk = 0.0031056 k( 167) = ( 0.0300433 0.0000000 -0.0300433), wk = 0.0031056 k( 168) = ( 0.0360519 -0.0000000 -0.0360519), wk = 0.0031056 k( 169) = ( 0.0420606 -0.0000000 -0.0420606), wk = 0.0031056 k( 170) = ( 0.0480692 -0.0000000 -0.0480692), wk = 0.0031056 k( 171) = ( 0.0540779 0.0000000 -0.0540779), wk = 0.0031056 k( 172) = ( 0.0600865 0.0000000 -0.0600865), wk = 0.0031056 k( 173) = ( 0.0660952 0.0000000 -0.0660952), wk = 0.0031056 k( 174) = ( 0.0721038 0.0000000 -0.0721038), wk = 0.0031056 k( 175) = ( 0.0781125 0.0000000 -0.0781125), wk = 0.0031056 k( 176) = ( 0.0841211 0.0000000 -0.0841211), wk = 0.0031056 k( 177) = ( 0.0901298 -0.0000000 -0.0901298), wk = 0.0031056 k( 178) = ( 0.0961384 -0.0000000 -0.0961384), wk = 0.0031056 k( 179) = ( 0.1021471 0.0000000 -0.1021471), wk = 0.0031056 k( 180) = ( 0.1081557 0.0000000 -0.1081557), wk = 0.0031056 k( 181) = ( 0.1141644 0.0000000 -0.1141644), wk = 0.0031056 k( 182) = ( 0.1201730 0.0000000 -0.1201730), wk = 0.0031056 k( 183) = ( 0.1261817 0.0000000 -0.1261817), wk = 0.0031056 k( 184) = ( 0.1321904 0.0000000 -0.1321904), wk = 0.0031056 k( 185) = ( 0.1381990 0.0000000 -0.1381990), wk = 0.0031056 k( 186) = ( 0.1442076 0.0000000 -0.1442076), wk = 0.0031056 k( 187) = ( 0.1502163 0.0000000 -0.1502163), wk = 0.0031056 k( 188) = ( 0.1562250 0.0000000 -0.1562250), wk = 0.0031056 k( 189) = ( 0.1622336 0.0000000 -0.1622336), wk = 0.0031056 k( 190) = ( 0.1682423 0.0000000 -0.1682423), wk = 0.0031056 k( 191) = ( 0.1742509 -0.0000000 -0.1742509), wk = 0.0031056 k( 192) = ( 0.1802596 0.0000000 -0.1802596), wk = 0.0031056 k( 193) = ( 0.1862682 0.0000000 -0.1862682), wk = 0.0031056 k( 194) = ( 0.1922769 0.0000000 -0.1922769), wk = 0.0031056 k( 195) = ( 0.1982855 0.0000000 -0.1982855), wk = 0.0031056 k( 196) = ( 0.2042942 0.0000000 -0.2042942), wk = 0.0031056 k( 197) = ( 0.2103028 0.0000000 -0.2103028), wk = 0.0031056 k( 198) = ( 0.2163115 0.0000000 -0.2163115), wk = 0.0031056 k( 199) = ( 0.2223201 0.0000000 -0.2223201), wk = 0.0031056 k( 200) = ( 0.2283288 0.0000000 -0.2283288), wk = 0.0031056 k( 201) = ( 0.2343374 -0.0000000 -0.2343374), wk = 0.0031056 k( 202) = ( 0.2403461 0.0000000 -0.2403461), wk = 0.0031056 k( 203) = ( 0.2463547 0.0000000 -0.2463547), wk = 0.0031056 k( 204) = ( 0.2523634 -0.0000000 -0.2523634), wk = 0.0031056 k( 205) = ( 0.2583721 0.0000000 -0.2583721), wk = 0.0031056 k( 206) = ( 0.2643807 0.0000000 -0.2643807), wk = 0.0031056 k( 207) = ( 0.2703893 0.0000000 -0.2703893), wk = 0.0031056 k( 208) = ( 0.2763980 0.0000000 -0.2763980), wk = 0.0031056 k( 209) = ( 0.2824066 -0.0000000 -0.2824066), wk = 0.0031056 k( 210) = ( 0.2884153 0.0000000 -0.2884153), wk = 0.0031056 k( 211) = ( 0.2944240 0.0000000 -0.2944240), wk = 0.0031056 k( 212) = ( 0.3004326 0.0000000 -0.3004326), wk = 0.0031056 k( 213) = ( 0.3064413 0.0000000 -0.3064413), wk = 0.0031056 k( 214) = ( 0.3124499 0.0000000 -0.3124499), wk = 0.0031056 k( 215) = ( 0.3184586 0.0000000 -0.3184586), wk = 0.0031056 k( 216) = ( 0.3244672 0.0000000 -0.3244672), wk = 0.0031056 k( 217) = ( 0.3304759 0.0000000 -0.3304759), wk = 0.0031056 k( 218) = ( 0.3364845 0.0000000 -0.3364845), wk = 0.0031056 k( 219) = ( 0.3424932 0.0000000 -0.3424932), wk = 0.0031056 k( 220) = ( 0.6575068 0.3424932 -0.0000000), wk = 0.0031056 k( 221) = ( 0.6516732 0.3483268 -0.0000000), wk = 0.0031056 k( 222) = ( 0.6458396 0.3541604 -0.0000000), wk = 0.0031056 k( 223) = ( 0.6400061 0.3599939 -0.0000000), wk = 0.0031056 k( 224) = ( 0.6341725 0.3658275 0.0000000), wk = 0.0031056 k( 225) = ( 0.6283389 0.3716611 -0.0000000), wk = 0.0031056 k( 226) = ( 0.6225053 0.3774947 -0.0000000), wk = 0.0031056 k( 227) = ( 0.6166717 0.3833283 0.0000000), wk = 0.0031056 k( 228) = ( 0.6108381 0.3891619 -0.0000000), wk = 0.0031056 k( 229) = ( 0.6050045 0.3949955 0.0000000), wk = 0.0031056 k( 230) = ( 0.5991710 0.4008290 -0.0000000), wk = 0.0031056 k( 231) = ( 0.5933374 0.4066626 0.0000000), wk = 0.0031056 k( 232) = ( 0.5875038 0.4124962 -0.0000000), wk = 0.0031056 k( 233) = ( 0.5816702 0.4183298 0.0000000), wk = 0.0031056 k( 234) = ( 0.5758366 0.4241634 -0.0000000), wk = 0.0031056 k( 235) = ( 0.5700030 0.4299970 0.0000000), wk = 0.0031056 k( 236) = ( 0.5641694 0.4358305 0.0000000), wk = 0.0031056 k( 237) = ( 0.5583359 0.4416641 -0.0000000), wk = 0.0031056 k( 238) = ( 0.5525023 0.4474977 0.0000000), wk = 0.0031056 k( 239) = ( 0.5466687 0.4533313 0.0000000), wk = 0.0031056 k( 240) = ( 0.5408351 0.4591649 -0.0000000), wk = 0.0031056 k( 241) = ( 0.5350015 0.4649985 0.0000000), wk = 0.0031056 k( 242) = ( 0.5291679 0.4708321 0.0000000), wk = 0.0031056 k( 243) = ( 0.5233343 0.4766657 0.0000000), wk = 0.0031056 k( 244) = ( 0.5175008 0.4824992 -0.0000000), wk = 0.0031056 k( 245) = ( 0.5116672 0.4883328 -0.0000000), wk = 0.0031056 k( 246) = ( 0.5058336 0.4941664 -0.0000000), wk = 0.0031056 k( 247) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 248) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 249) = ( 0.5175008 0.5175008 0.0205540), wk = 0.0031056 k( 250) = ( 0.5350015 0.5350015 0.0411081), wk = 0.0031056 k( 251) = ( 0.5525023 0.5525023 0.0616621), wk = 0.0031056 k( 252) = ( 0.5700030 0.5700030 0.0822162), wk = 0.0031056 k( 253) = ( 0.5875038 0.5875038 0.1027702), wk = 0.0031056 k( 254) = ( 0.6050045 0.6050045 0.1233242), wk = 0.0031056 k( 255) = ( 0.6225053 0.6225053 0.1438783), wk = 0.0031056 k( 256) = ( 0.6400061 0.6400061 0.1644323), wk = 0.0031056 k( 257) = ( 0.6575068 0.6575068 0.1849863), wk = 0.0031056 k( 258) = ( 0.6575068 0.6575068 0.1849863), wk = 0.0031056 k( 259) = ( 0.6540828 0.6540828 0.1918345), wk = 0.0031056 k( 260) = ( 0.6506587 0.6506587 0.1986826), wk = 0.0031056 k( 261) = ( 0.6472346 0.6472346 0.2055307), wk = 0.0031056 k( 262) = ( 0.6438106 0.6438106 0.2123788), wk = 0.0031056 k( 263) = ( 0.6403865 0.6403865 0.2192270), wk = 0.0031056 k( 264) = ( 0.6369625 0.6369625 0.2260751), wk = 0.0031056 k( 265) = ( 0.6335384 0.6335384 0.2329232), wk = 0.0031056 k( 266) = ( 0.6301143 0.6301143 0.2397713), wk = 0.0031056 k( 267) = ( 0.6266903 0.6266903 0.2466195), wk = 0.0031056 k( 268) = ( 0.6232662 0.6232662 0.2534676), wk = 0.0031056 k( 269) = ( 0.6198421 0.6198421 0.2603157), wk = 0.0031056 k( 270) = ( 0.6164181 0.6164181 0.2671638), wk = 0.0031056 k( 271) = ( 0.6129940 0.6129940 0.2740120), wk = 0.0031056 k( 272) = ( 0.6095700 0.6095700 0.2808601), wk = 0.0031056 k( 273) = ( 0.6061459 0.6061459 0.2877082), wk = 0.0031056 k( 274) = ( 0.6027218 0.6027218 0.2945563), wk = 0.0031056 k( 275) = ( 0.5992978 0.5992978 0.3014044), wk = 0.0031056 k( 276) = ( 0.5958737 0.5958737 0.3082526), wk = 0.0031056 k( 277) = ( 0.5924497 0.5924497 0.3151007), wk = 0.0031056 k( 278) = ( 0.5890256 0.5890256 0.3219488), wk = 0.0031056 k( 279) = ( 0.5856015 0.5856015 0.3287969), wk = 0.0031056 k( 280) = ( 0.5821775 0.5821775 0.3356451), wk = 0.0031056 k( 281) = ( 0.5787534 0.5787534 0.3424932), wk = 0.0031056 k( 282) = ( 0.5753293 0.5753293 0.3493413), wk = 0.0031056 k( 283) = ( 0.5719053 0.5719053 0.3561894), wk = 0.0031056 k( 284) = ( 0.5684812 0.5684812 0.3630375), wk = 0.0031056 k( 285) = ( 0.5650572 0.5650572 0.3698857), wk = 0.0031056 k( 286) = ( 0.5616331 0.5616331 0.3767338), wk = 0.0031056 k( 287) = ( 0.5582090 0.5582090 0.3835819), wk = 0.0031056 k( 288) = ( 0.5547850 0.5547850 0.3904300), wk = 0.0031056 k( 289) = ( 0.5513609 0.5513609 0.3972782), wk = 0.0031056 k( 290) = ( 0.5479369 0.5479369 0.4041263), wk = 0.0031056 k( 291) = ( 0.5445128 0.5445128 0.4109744), wk = 0.0031056 k( 292) = ( 0.5410887 0.5410887 0.4178225), wk = 0.0031056 k( 293) = ( 0.5376647 0.5376647 0.4246706), wk = 0.0031056 k( 294) = ( 0.5342406 0.5342406 0.4315188), wk = 0.0031056 k( 295) = ( 0.5308166 0.5308166 0.4383669), wk = 0.0031056 k( 296) = ( 0.5273925 0.5273925 0.4452150), wk = 0.0031056 k( 297) = ( 0.5239684 0.5239684 0.4520631), wk = 0.0031056 k( 298) = ( 0.5205444 0.5205444 0.4589113), wk = 0.0031056 k( 299) = ( 0.5171203 0.5171203 0.4657594), wk = 0.0031056 k( 300) = ( 0.5136962 0.5136962 0.4726075), wk = 0.0031056 k( 301) = ( 0.5102722 0.5102722 0.4794556), wk = 0.0031056 k( 302) = ( 0.5068481 0.5068481 0.4863037), wk = 0.0031056 k( 303) = ( 0.5034241 0.5034241 0.4931519), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 305) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031056 k( 306) = ( 0.5185302 0.0201467 0.0201467), wk = 0.0031056 k( 307) = ( 0.5370604 0.0402933 0.0402933), wk = 0.0031056 k( 308) = ( 0.5555906 0.0604400 0.0604400), wk = 0.0031056 k( 309) = ( 0.5741209 0.0805866 0.0805866), wk = 0.0031056 k( 310) = ( 0.5926511 0.1007333 0.1007333), wk = 0.0031056 k( 311) = ( 0.6111813 0.1208799 0.1208799), wk = 0.0031056 k( 312) = ( 0.6297115 0.1410266 0.1410266), wk = 0.0031056 k( 313) = ( 0.6482417 0.1611733 0.1611733), wk = 0.0031056 k( 314) = ( 0.6667719 0.1813199 0.1813199), wk = 0.0031056 k( 315) = ( 0.6853022 0.2014666 0.2014666), wk = 0.0031056 k( 316) = ( 0.7038324 0.2216132 0.2216132), wk = 0.0031056 k( 317) = ( 0.7223626 0.2417599 0.2417599), wk = 0.0031056 k( 318) = ( 0.7408928 0.2619066 0.2619066), wk = 0.0031056 k( 319) = ( 0.7594230 0.2820532 0.2820532), wk = 0.0031056 k( 320) = ( 0.7779532 0.3021999 0.3021999), wk = 0.0031056 k( 321) = ( 0.7964834 0.3223465 0.3223465), wk = 0.0031056 k( 322) = ( 0.8150137 0.3424932 0.3424932), wk = 0.0031056 Dense grid: 54719 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 41081 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 296, 42) NL pseudopotentials 0.26 Mb ( 148, 116) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1521) G-vector shells 0.01 Mb ( 1265) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 296, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.15 Mb ( 116, 2, 42) The potential is recalculated from file : ./NaInS2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.9 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.8 secs Computing kpt #: 25 total cpu time spent up to now is 17.5 secs Computing kpt #: 26 total cpu time spent up to now is 18.2 secs Computing kpt #: 27 total cpu time spent up to now is 18.8 secs Computing kpt #: 28 total cpu time spent up to now is 19.5 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.9 secs Computing kpt #: 31 total cpu time spent up to now is 21.6 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.9 secs Computing kpt #: 34 total cpu time spent up to now is 23.5 secs Computing kpt #: 35 total cpu time spent up to now is 24.1 secs Computing kpt #: 36 total cpu time spent up to now is 24.6 secs Computing kpt #: 37 total cpu time spent up to now is 25.2 secs Computing kpt #: 38 total cpu time spent up to now is 25.8 secs Computing kpt #: 39 total cpu time spent up to now is 26.4 secs Computing kpt #: 40 total cpu time spent up to now is 27.0 secs Computing kpt #: 41 total cpu time spent up to now is 27.6 secs Computing kpt #: 42 total cpu time spent up to now is 28.2 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.9 secs Computing kpt #: 46 total cpu time spent up to now is 30.5 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.1 secs Computing kpt #: 50 total cpu time spent up to now is 32.7 secs Computing kpt #: 51 total cpu time spent up to now is 33.3 secs Computing kpt #: 52 total cpu time spent up to now is 33.8 secs Computing kpt #: 53 total cpu time spent up to now is 34.4 secs Computing kpt #: 54 total cpu time spent up to now is 35.0 secs Computing kpt #: 55 total cpu time spent up to now is 35.5 secs Computing kpt #: 56 total cpu time spent up to now is 36.1 secs Computing kpt #: 57 total cpu time spent up to now is 36.7 secs Computing kpt #: 58 total cpu time spent up to now is 37.2 secs Computing kpt #: 59 total cpu time spent up to now is 37.8 secs Computing kpt #: 60 total cpu time spent up to now is 38.5 secs Computing kpt #: 61 total cpu time spent up to now is 39.1 secs Computing kpt #: 62 total cpu time spent up to now is 39.6 secs Computing kpt #: 63 total cpu time spent up to now is 40.2 secs Computing kpt #: 64 total cpu time spent up to now is 40.7 secs Computing kpt #: 65 total cpu time spent up to now is 41.3 secs Computing kpt #: 66 total cpu time spent up to now is 41.8 secs Computing kpt #: 67 total cpu time spent up to now is 42.4 secs Computing kpt #: 68 total cpu time spent up to now is 43.0 secs Computing kpt #: 69 total cpu time spent up to now is 43.5 secs Computing kpt #: 70 total cpu time spent up to now is 44.1 secs Computing kpt #: 71 total cpu time spent up to now is 44.7 secs Computing kpt #: 72 total cpu time spent up to now is 45.3 secs Computing kpt #: 73 total cpu time spent up to now is 45.9 secs Computing kpt #: 74 total cpu time spent up to now is 46.4 secs Computing kpt #: 75 total cpu time spent up to now is 47.1 secs Computing kpt #: 76 total cpu time spent up to now is 47.8 secs Computing kpt #: 77 total cpu time spent up to now is 48.5 secs Computing kpt #: 78 total cpu time spent up to now is 49.2 secs Computing kpt #: 79 total cpu time spent up to now is 49.9 secs Computing kpt #: 80 total cpu time spent up to now is 50.6 secs Computing kpt #: 81 total cpu time spent up to now is 51.3 secs Computing kpt #: 82 total cpu time spent up to now is 52.0 secs Computing kpt #: 83 total cpu time spent up to now is 52.7 secs Computing kpt #: 84 total cpu time spent up to now is 53.4 secs Computing kpt #: 85 total cpu time spent up to now is 54.1 secs Computing kpt #: 86 total cpu time spent up to now is 54.7 secs Computing kpt #: 87 total cpu time spent up to now is 55.4 secs Computing kpt #: 88 total cpu time spent up to now is 56.1 secs Computing kpt #: 89 total cpu time spent up to now is 56.7 secs Computing kpt #: 90 total cpu time spent up to now is 57.3 secs Computing kpt #: 91 total cpu time spent up to now is 57.9 secs Computing kpt #: 92 total cpu time spent up to now is 58.5 secs Computing kpt #: 93 total cpu time spent up to now is 59.1 secs Computing kpt #: 94 total cpu time spent up to now is 59.6 secs Computing kpt #: 95 total cpu time spent up to now is 60.2 secs Computing kpt #: 96 total cpu time spent up to now is 60.8 secs Computing kpt #: 97 total cpu time spent up to now is 61.4 secs Computing kpt #: 98 total cpu time spent up to now is 62.0 secs Computing kpt #: 99 total cpu time spent up to now is 62.6 secs Computing kpt #: 100 total cpu time spent up to now is 63.2 secs Computing kpt #: 101 total cpu time spent up to now is 63.8 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 64.9 secs Computing kpt #: 104 total cpu time spent up to now is 65.5 secs Computing kpt #: 105 total cpu time spent up to now is 66.1 secs Computing kpt #: 106 total cpu time spent up to now is 66.7 secs Computing kpt #: 107 total cpu time spent up to now is 67.3 secs Computing kpt #: 108 total cpu time spent up to now is 67.9 secs Computing kpt #: 109 total cpu time spent up to now is 68.5 secs Computing kpt #: 110 total cpu time spent up to now is 69.0 secs Computing kpt #: 111 total cpu time spent up to now is 69.6 secs Computing kpt #: 112 total cpu time spent up to now is 70.2 secs Computing kpt #: 113 total cpu time spent up to now is 70.7 secs Computing kpt #: 114 total cpu time spent up to now is 71.3 secs Computing kpt #: 115 total cpu time spent up to now is 71.9 secs Computing kpt #: 116 total cpu time spent up to now is 72.4 secs Computing kpt #: 117 total cpu time spent up to now is 73.0 secs Computing kpt #: 118 total cpu time spent up to now is 73.7 secs Computing kpt #: 119 total cpu time spent up to now is 74.3 secs Computing kpt #: 120 total cpu time spent up to now is 74.9 secs Computing kpt #: 121 total cpu time spent up to now is 75.5 secs Computing kpt #: 122 total cpu time spent up to now is 76.0 secs Computing kpt #: 123 total cpu time spent up to now is 76.6 secs Computing kpt #: 124 total cpu time spent up to now is 77.2 secs Computing kpt #: 125 total cpu time spent up to now is 77.8 secs Computing kpt #: 126 total cpu time spent up to now is 78.3 secs Computing kpt #: 127 total cpu time spent up to now is 78.9 secs Computing kpt #: 128 total cpu time spent up to now is 79.5 secs Computing kpt #: 129 total cpu time spent up to now is 80.1 secs Computing kpt #: 130 total cpu time spent up to now is 80.6 secs Computing kpt #: 131 total cpu time spent up to now is 81.2 secs Computing kpt #: 132 total cpu time spent up to now is 81.8 secs Computing kpt #: 133 total cpu time spent up to now is 82.3 secs Computing kpt #: 134 total cpu time spent up to now is 82.9 secs Computing kpt #: 135 total cpu time spent up to now is 83.4 secs Computing kpt #: 136 total cpu time spent up to now is 84.0 secs Computing kpt #: 137 total cpu time spent up to now is 84.5 secs Computing kpt #: 138 total cpu time spent up to now is 85.1 secs Computing kpt #: 139 total cpu time spent up to now is 85.6 secs Computing kpt #: 140 total cpu time spent up to now is 86.2 secs Computing kpt #: 141 total cpu time spent up to now is 86.8 secs Computing kpt #: 142 total cpu time spent up to now is 87.3 secs Computing kpt #: 143 total cpu time spent up to now is 87.9 secs Computing kpt #: 144 total cpu time spent up to now is 88.5 secs Computing kpt #: 145 total cpu time spent up to now is 89.0 secs Computing kpt #: 146 total cpu time spent up to now is 89.6 secs Computing kpt #: 147 total cpu time spent up to now is 90.2 secs Computing kpt #: 148 total cpu time spent up to now is 90.8 secs Computing kpt #: 149 total cpu time spent up to now is 91.3 secs Computing kpt #: 150 total cpu time spent up to now is 92.0 secs Computing kpt #: 151 total cpu time spent up to now is 92.7 secs Computing kpt #: 152 total cpu time spent up to now is 93.3 secs Computing kpt #: 153 total cpu time spent up to now is 94.0 secs Computing kpt #: 154 total cpu time spent up to now is 94.6 secs Computing kpt #: 155 total cpu time spent up to now is 95.3 secs Computing kpt #: 156 total cpu time spent up to now is 95.9 secs Computing kpt #: 157 total cpu time spent up to now is 96.6 secs Computing kpt #: 158 total cpu time spent up to now is 97.2 secs Computing kpt #: 159 total cpu time spent up to now is 97.9 secs Computing kpt #: 160 total cpu time spent up to now is 98.5 secs Computing kpt #: 161 total cpu time spent up to now is 99.2 secs Computing kpt #: 162 total cpu time spent up to now is 99.8 secs Computing kpt #: 163 total cpu time spent up to now is 100.5 secs Computing kpt #: 164 total cpu time spent up to now is 101.0 secs Computing kpt #: 165 total cpu time spent up to now is 101.6 secs Computing kpt #: 166 total cpu time spent up to now is 102.2 secs Computing kpt #: 167 total cpu time spent up to now is 102.7 secs Computing kpt #: 168 total cpu time spent up to now is 103.2 secs Computing kpt #: 169 total cpu time spent up to now is 103.8 secs Computing kpt #: 170 total cpu time spent up to now is 104.3 secs Computing kpt #: 171 total cpu time spent up to now is 104.9 secs Computing kpt #: 172 total cpu time spent up to now is 105.4 secs Computing kpt #: 173 total cpu time spent up to now is 105.9 secs Computing kpt #: 174 total cpu time spent up to now is 106.5 secs Computing kpt #: 175 total cpu time spent up to now is 107.0 secs Computing kpt #: 176 total cpu time spent up to now is 107.6 secs Computing kpt #: 177 total cpu time spent up to now is 108.1 secs Computing kpt #: 178 total cpu time spent up to now is 108.7 secs Computing kpt #: 179 total cpu time spent up to now is 109.2 secs Computing kpt #: 180 total cpu time spent up to now is 109.8 secs Computing kpt #: 181 total cpu time spent up to now is 110.3 secs Computing kpt #: 182 total cpu time spent up to now is 110.9 secs Computing kpt #: 183 total cpu time spent up to now is 111.4 secs Computing kpt #: 184 total cpu time spent up to now is 112.0 secs Computing kpt #: 185 total cpu time spent up to now is 112.5 secs Computing kpt #: 186 total cpu time spent up to now is 113.1 secs Computing kpt #: 187 total cpu time spent up to now is 113.6 secs Computing kpt #: 188 total cpu time spent up to now is 114.2 secs Computing kpt #: 189 total cpu time spent up to now is 114.8 secs Computing kpt #: 190 total cpu time spent up to now is 115.3 secs Computing kpt #: 191 total cpu time spent up to now is 116.0 secs Computing kpt #: 192 total cpu time spent up to now is 116.7 secs Computing kpt #: 193 total cpu time spent up to now is 117.3 secs Computing kpt #: 194 total cpu time spent up to now is 117.8 secs Computing kpt #: 195 total cpu time spent up to now is 118.5 secs Computing kpt #: 196 total cpu time spent up to now is 119.2 secs Computing kpt #: 197 total cpu time spent up to now is 119.9 secs Computing kpt #: 198 total cpu time spent up to now is 120.6 secs Computing kpt #: 199 total cpu time spent up to now is 121.3 secs Computing kpt #: 200 total cpu time spent up to now is 122.0 secs Computing kpt #: 201 total cpu time spent up to now is 122.6 secs Computing kpt #: 202 total cpu time spent up to now is 123.3 secs Computing kpt #: 203 total cpu time spent up to now is 123.9 secs Computing kpt #: 204 total cpu time spent up to now is 124.6 secs Computing kpt #: 205 total cpu time spent up to now is 125.3 secs Computing kpt #: 206 total cpu time spent up to now is 126.0 secs Computing kpt #: 207 total cpu time spent up to now is 126.7 secs Computing kpt #: 208 total cpu time spent up to now is 127.4 secs Computing kpt #: 209 total cpu time spent up to now is 128.1 secs Computing kpt #: 210 total cpu time spent up to now is 128.8 secs Computing kpt #: 211 total cpu time spent up to now is 129.5 secs Computing kpt #: 212 total cpu time spent up to now is 130.2 secs Computing kpt #: 213 total cpu time spent up to now is 130.9 secs Computing kpt #: 214 total cpu time spent up to now is 131.6 secs Computing kpt #: 215 total cpu time spent up to now is 132.3 secs Computing kpt #: 216 total cpu time spent up to now is 133.0 secs Computing kpt #: 217 total cpu time spent up to now is 133.6 secs Computing kpt #: 218 total cpu time spent up to now is 134.2 secs Computing kpt #: 219 total cpu time spent up to now is 134.8 secs Computing kpt #: 220 total cpu time spent up to now is 135.4 secs Computing kpt #: 221 total cpu time spent up to now is 136.2 secs Computing kpt #: 222 total cpu time spent up to now is 137.0 secs Computing kpt #: 223 total cpu time spent up to now is 137.7 secs Computing kpt #: 224 total cpu time spent up to now is 138.3 secs Computing kpt #: 225 total cpu time spent up to now is 138.9 secs Computing kpt #: 226 total cpu time spent up to now is 139.6 secs Computing kpt #: 227 total cpu time spent up to now is 140.3 secs Computing kpt #: 228 total cpu time spent up to now is 140.9 secs Computing kpt #: 229 total cpu time spent up to now is 141.6 secs Computing kpt #: 230 total cpu time spent up to now is 142.3 secs Computing kpt #: 231 total cpu time spent up to now is 143.0 secs Computing kpt #: 232 total cpu time spent up to now is 143.7 secs Computing kpt #: 233 total cpu time spent up to now is 144.3 secs Computing kpt #: 234 total cpu time spent up to now is 144.9 secs Computing kpt #: 235 total cpu time spent up to now is 145.5 secs Computing kpt #: 236 total cpu time spent up to now is 146.1 secs Computing kpt #: 237 total cpu time spent up to now is 146.6 secs Computing kpt #: 238 total cpu time spent up to now is 147.2 secs Computing kpt #: 239 total cpu time spent up to now is 147.9 secs Computing kpt #: 240 total cpu time spent up to now is 148.6 secs Computing kpt #: 241 total cpu time spent up to now is 149.1 secs Computing kpt #: 242 total cpu time spent up to now is 149.7 secs Computing kpt #: 243 total cpu time spent up to now is 150.3 secs Computing kpt #: 244 total cpu time spent up to now is 150.8 secs Computing kpt #: 245 total cpu time spent up to now is 151.4 secs Computing kpt #: 246 total cpu time spent up to now is 152.0 secs Computing kpt #: 247 total cpu time spent up to now is 152.5 secs Computing kpt #: 248 total cpu time spent up to now is 153.1 secs Computing kpt #: 249 total cpu time spent up to now is 153.8 secs Computing kpt #: 250 total cpu time spent up to now is 154.4 secs Computing kpt #: 251 total cpu time spent up to now is 154.9 secs Computing kpt #: 252 total cpu time spent up to now is 155.6 secs Computing kpt #: 253 total cpu time spent up to now is 156.2 secs Computing kpt #: 254 total cpu time spent up to now is 156.9 secs Computing kpt #: 255 total cpu time spent up to now is 157.5 secs Computing kpt #: 256 total cpu time spent up to now is 158.1 secs Computing kpt #: 257 total cpu time spent up to now is 158.7 secs Computing kpt #: 258 total cpu time spent up to now is 159.3 secs Computing kpt #: 259 total cpu time spent up to now is 159.9 secs Computing kpt #: 260 total cpu time spent up to now is 160.4 secs Computing kpt #: 261 total cpu time spent up to now is 161.0 secs Computing kpt #: 262 total cpu time spent up to now is 161.6 secs Computing kpt #: 263 total cpu time spent up to now is 162.3 secs Computing kpt #: 264 total cpu time spent up to now is 162.9 secs Computing kpt #: 265 total cpu time spent up to now is 163.5 secs Computing kpt #: 266 total cpu time spent up to now is 164.0 secs Computing kpt #: 267 total cpu time spent up to now is 164.6 secs Computing kpt #: 268 total cpu time spent up to now is 165.2 secs Computing kpt #: 269 total cpu time spent up to now is 165.8 secs Computing kpt #: 270 total cpu time spent up to now is 166.4 secs Computing kpt #: 271 total cpu time spent up to now is 167.0 secs Computing kpt #: 272 total cpu time spent up to now is 167.6 secs Computing kpt #: 273 total cpu time spent up to now is 168.2 secs Computing kpt #: 274 total cpu time spent up to now is 168.8 secs Computing kpt #: 275 total cpu time spent up to now is 169.4 secs Computing kpt #: 276 total cpu time spent up to now is 170.0 secs Computing kpt #: 277 total cpu time spent up to now is 170.6 secs Computing kpt #: 278 total cpu time spent up to now is 171.1 secs Computing kpt #: 279 total cpu time spent up to now is 171.7 secs Computing kpt #: 280 total cpu time spent up to now is 172.3 secs Computing kpt #: 281 total cpu time spent up to now is 173.0 secs Computing kpt #: 282 total cpu time spent up to now is 173.7 secs Computing kpt #: 283 total cpu time spent up to now is 174.4 secs Computing kpt #: 284 total cpu time spent up to now is 175.1 secs Computing kpt #: 285 total cpu time spent up to now is 175.7 secs Computing kpt #: 286 total cpu time spent up to now is 176.3 secs Computing kpt #: 287 total cpu time spent up to now is 176.9 secs Computing kpt #: 288 total cpu time spent up to now is 177.5 secs Computing kpt #: 289 total cpu time spent up to now is 178.1 secs Computing kpt #: 290 total cpu time spent up to now is 178.9 secs Computing kpt #: 291 total cpu time spent up to now is 179.7 secs Computing kpt #: 292 total cpu time spent up to now is 180.3 secs Computing kpt #: 293 total cpu time spent up to now is 180.9 secs Computing kpt #: 294 total cpu time spent up to now is 181.5 secs Computing kpt #: 295 total cpu time spent up to now is 182.1 secs Computing kpt #: 296 total cpu time spent up to now is 182.6 secs Computing kpt #: 297 total cpu time spent up to now is 183.2 secs Computing kpt #: 298 total cpu time spent up to now is 183.8 secs Computing kpt #: 299 total cpu time spent up to now is 184.3 secs Computing kpt #: 300 total cpu time spent up to now is 184.9 secs Computing kpt #: 301 total cpu time spent up to now is 185.5 secs Computing kpt #: 302 total cpu time spent up to now is 186.0 secs Computing kpt #: 303 total cpu time spent up to now is 186.6 secs Computing kpt #: 304 total cpu time spent up to now is 187.1 secs Computing kpt #: 305 total cpu time spent up to now is 187.7 secs Computing kpt #: 306 total cpu time spent up to now is 188.2 secs Computing kpt #: 307 total cpu time spent up to now is 188.8 secs Computing kpt #: 308 total cpu time spent up to now is 189.3 secs Computing kpt #: 309 total cpu time spent up to now is 189.9 secs Computing kpt #: 310 total cpu time spent up to now is 190.5 secs Computing kpt #: 311 total cpu time spent up to now is 191.1 secs Computing kpt #: 312 total cpu time spent up to now is 191.6 secs Computing kpt #: 313 total cpu time spent up to now is 192.2 secs Computing kpt #: 314 total cpu time spent up to now is 192.8 secs Computing kpt #: 315 total cpu time spent up to now is 193.4 secs Computing kpt #: 316 total cpu time spent up to now is 193.9 secs Computing kpt #: 317 total cpu time spent up to now is 194.5 secs Computing kpt #: 318 total cpu time spent up to now is 195.1 secs Computing kpt #: 319 total cpu time spent up to now is 195.7 secs Computing kpt #: 320 total cpu time spent up to now is 196.3 secs Computing kpt #: 321 total cpu time spent up to now is 196.8 secs Computing kpt #: 322 total cpu time spent up to now is 197.4 secs ethr = 2.94E-08, avg # of iterations = 19.4 total cpu time spent up to now is 197.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1378 -7.1378 -7.0524 -7.0524 -7.0467 -7.0467 -6.5610 -6.5610 -5.2652 -5.2652 1.5501 1.5501 5.5985 5.5985 5.7186 5.7186 5.7656 5.7656 5.9241 5.9241 5.9648 5.9648 8.2258 8.2258 10.1463 10.1463 12.1914 12.1914 12.4868 12.4868 k = 0.0102-0.0166-0.0101 ( 5158 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9067 -7.9067 -7.1379 -7.1379 -7.0523 -7.0523 -7.0469 -7.0469 -6.5602 -6.5602 -5.2640 -5.2640 1.5507 1.5507 5.5954 5.5954 5.7144 5.7144 5.7572 5.7572 5.9244 5.9244 5.9637 5.9637 8.2338 8.2338 10.1526 10.1526 12.1881 12.1881 12.4823 12.4823 k = 0.0204-0.0331-0.0202 ( 5146 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9371 -7.9371 -7.9068 -7.9068 -7.1382 -7.1382 -7.0520 -7.0520 -7.0476 -7.0476 -6.5577 -6.5577 -5.2603 -5.2603 1.5526 1.5526 5.5847 5.5847 5.7011 5.7011 5.7365 5.7365 5.9223 5.9223 5.9618 5.9618 8.2577 8.2577 10.1712 10.1712 12.1770 12.1770 12.4712 12.4712 k = 0.0306-0.0497-0.0302 ( 5147 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3357 -16.3357 -16.3272 -16.3272 -7.9374 -7.9374 -7.9072 -7.9072 -7.1387 -7.1387 -7.0516 -7.0516 -7.0487 -7.0487 -6.5536 -6.5536 -5.2542 -5.2542 1.5559 1.5559 5.5611 5.5611 5.6772 5.6772 5.7145 5.7145 5.9110 5.9110 5.9628 5.9628 8.2963 8.2963 10.2016 10.2016 12.1551 12.1551 12.4595 12.4595 k = 0.0408-0.0663-0.0403 ( 5150 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3274 -16.3274 -7.9378 -7.9378 -7.9076 -7.9076 -7.1394 -7.1394 -7.0509 -7.0509 -7.0502 -7.0502 -6.5478 -6.5478 -5.2458 -5.2458 1.5603 1.5603 5.5175 5.5175 5.6490 5.6490 5.6965 5.6965 5.8874 5.8874 5.9676 5.9676 8.3481 8.3481 10.2431 10.2431 12.1196 12.1196 12.4538 12.4538 k = 0.0510-0.0828-0.0504 ( 5154 PWs) bands (ev): -44.4640 -44.4640 -16.5102 -16.5102 -16.3358 -16.3358 -16.3276 -16.3276 -7.9384 -7.9384 -7.9081 -7.9081 -7.1404 -7.1404 -7.0520 -7.0520 -7.0501 -7.0501 -6.5403 -6.5403 -5.2350 -5.2350 1.5660 1.5660 5.4525 5.4525 5.6221 5.6221 5.6819 5.6819 5.8524 5.8524 5.9742 5.9742 8.4114 8.4114 10.2946 10.2946 12.0706 12.0706 12.4578 12.4578 k = 0.0612-0.0994-0.0605 ( 5154 PWs) bands (ev): -44.4639 -44.4639 -16.5103 -16.5103 -16.3358 -16.3358 -16.3277 -16.3277 -7.9393 -7.9393 -7.9086 -7.9086 -7.1418 -7.1418 -7.0541 -7.0541 -7.0492 -7.0492 -6.5312 -6.5312 -5.2221 -5.2221 1.5728 1.5728 5.3713 5.3713 5.5946 5.5946 5.6701 5.6701 5.8077 5.8077 5.9809 5.9809 8.4841 8.4841 10.3547 10.3547 12.0110 12.0110 12.4718 12.4718 k = 0.0714-0.1160-0.0705 ( 5151 PWs) bands (ev): -44.4639 -44.4639 -16.5104 -16.5104 -16.3358 -16.3358 -16.3280 -16.3280 -7.9403 -7.9403 -7.9092 -7.9092 -7.1434 -7.1434 -7.0564 -7.0564 -7.0480 -7.0480 -6.5202 -6.5202 -5.2069 -5.2069 1.5808 1.5808 5.2788 5.2788 5.5644 5.5644 5.6597 5.6597 5.7554 5.7554 5.9872 5.9872 8.5643 8.5643 10.4218 10.4218 11.9449 11.9449 12.4946 12.4946 k = 0.0816-0.1325-0.0806 ( 5150 PWs) bands (ev): -44.4639 -44.4639 -16.5105 -16.5105 -16.3359 -16.3359 -16.3282 -16.3282 -7.9417 -7.9417 -7.9098 -7.9098 -7.1454 -7.1454 -7.0588 -7.0588 -7.0467 -7.0467 -6.5076 -6.5076 -5.1898 -5.1898 1.5897 1.5897 5.1783 5.1783 5.5310 5.5310 5.6455 5.6455 5.7010 5.7010 5.9924 5.9924 8.6501 8.6501 10.4939 10.4939 11.8767 11.8767 12.5246 12.5246 k = 0.0918-0.1491-0.0907 ( 5151 PWs) bands (ev): -44.4639 -44.4639 -16.5107 -16.5107 -16.3359 -16.3359 -16.3285 -16.3285 -7.9433 -7.9433 -7.9103 -7.9103 -7.1478 -7.1478 -7.0613 -7.0613 -7.0453 -7.0453 -6.4931 -6.4931 -5.1707 -5.1707 1.5995 1.5995 5.0721 5.0721 5.4946 5.4946 5.6054 5.6054 5.6671 5.6671 5.9966 5.9966 8.7399 8.7399 10.5684 10.5684 11.8105 11.8105 12.5606 12.5606 k = 0.1020-0.1657-0.1008 ( 5154 PWs) bands (ev): -44.4639 -44.4639 -16.5109 -16.5109 -16.3360 -16.3360 -16.3288 -16.3288 -7.9454 -7.9454 -7.9108 -7.9108 -7.1506 -7.1506 -7.0637 -7.0637 -7.0437 -7.0437 -6.4769 -6.4769 -5.1498 -5.1498 1.6100 1.6100 4.9616 4.9616 5.4547 5.4547 5.5388 5.5388 5.6557 5.6557 5.9995 5.9995 8.8318 8.8318 10.6421 10.6421 11.7504 11.7504 12.6016 12.6016 k = 0.1122-0.1822-0.1108 ( 5148 PWs) bands (ev): -44.4638 -44.4638 -16.5110 -16.5110 -16.3360 -16.3360 -16.3291 -16.3291 -7.9478 -7.9478 -7.9111 -7.9111 -7.1539 -7.1539 -7.0660 -7.0660 -7.0420 -7.0420 -6.4589 -6.4589 -5.1273 -5.1273 1.6212 1.6212 4.8482 4.8482 5.4088 5.4088 5.4668 5.4668 5.6490 5.6490 6.0010 6.0010 8.9242 8.9242 10.7110 10.7110 11.7016 11.7016 12.6467 12.6467 k = 0.1224-0.1988-0.1209 ( 5144 PWs) bands (ev): -44.4638 -44.4638 -16.5112 -16.5112 -16.3361 -16.3361 -16.3294 -16.3294 -7.9506 -7.9506 -7.9114 -7.9114 -7.1575 -7.1575 -7.0682 -7.0682 -7.0402 -7.0402 -6.4391 -6.4391 -5.1032 -5.1032 1.6329 1.6329 4.7328 4.7328 5.3484 5.3484 5.4028 5.4028 5.6435 5.6435 6.0014 6.0014 9.0157 9.0157 10.7699 10.7699 11.6694 11.6694 12.6953 12.6953 k = 0.1327-0.2154-0.1310 ( 5145 PWs) bands (ev): -44.4638 -44.4638 -16.5114 -16.5114 -16.3362 -16.3362 -16.3298 -16.3298 -7.9538 -7.9538 -7.9116 -7.9116 -7.1616 -7.1616 -7.0701 -7.0701 -7.0383 -7.0383 -6.4175 -6.4175 -5.0776 -5.0776 1.6448 1.6448 4.6164 4.6164 5.2700 5.2700 5.3519 5.3519 5.6381 5.6381 6.0004 6.0004 9.1044 9.1044 10.8139 10.8139 11.6597 11.6597 12.7467 12.7467 k = 0.1429-0.2319-0.1411 ( 5142 PWs) bands (ev): -44.4638 -44.4638 -16.5116 -16.5116 -16.3363 -16.3363 -16.3301 -16.3301 -7.9575 -7.9575 -7.9116 -7.9116 -7.1659 -7.1659 -7.0719 -7.0719 -7.0363 -7.0363 -6.3941 -6.3941 -5.0508 -5.0508 1.6567 1.6567 4.4997 4.4997 5.1830 5.1830 5.3059 5.3059 5.6325 5.6325 5.9982 5.9982 9.1887 9.1887 10.8399 10.8399 11.6759 11.6759 12.8004 12.8004 k = 0.1531-0.2485-0.1512 ( 5135 PWs) bands (ev): -44.4637 -44.4637 -16.5118 -16.5118 -16.3364 -16.3364 -16.3305 -16.3305 -7.9615 -7.9615 -7.9116 -7.9116 -7.1706 -7.1706 -7.0735 -7.0735 -7.0342 -7.0342 -6.3689 -6.3689 -5.0229 -5.0229 1.6684 1.6684 4.3835 4.3835 5.0923 5.0923 5.2611 5.2611 5.6266 5.6266 5.9949 5.9949 9.2666 9.2666 10.8490 10.8490 11.7178 11.7178 12.8557 12.8557 k = 0.1633-0.2651-0.1612 ( 5141 PWs) bands (ev): -44.4637 -44.4637 -16.5121 -16.5121 -16.3366 -16.3366 -16.3308 -16.3308 -7.9660 -7.9660 -7.9114 -7.9114 -7.1754 -7.1754 -7.0748 -7.0748 -7.0320 -7.0320 -6.3421 -6.3421 -4.9940 -4.9940 1.6796 1.6796 4.2683 4.2683 4.9997 4.9997 5.2163 5.2163 5.6203 5.6203 5.9905 5.9905 9.3362 9.3362 10.8462 10.8462 11.7811 11.7811 12.9119 12.9119 k = 0.1735-0.2816-0.1713 ( 5139 PWs) bands (ev): -44.4637 -44.4637 -16.5123 -16.5123 -16.3368 -16.3368 -16.3312 -16.3312 -7.9707 -7.9707 -7.9112 -7.9112 -7.1805 -7.1805 -7.0759 -7.0759 -7.0298 -7.0298 -6.3135 -6.3135 -4.9642 -4.9642 1.6899 1.6899 4.1549 4.1549 4.9062 4.9062 5.1716 5.1716 5.6133 5.6133 5.9852 5.9852 9.3952 9.3952 10.8383 10.8383 11.8595 11.8595 12.9686 12.9686 k = 0.1837-0.2982-0.1814 ( 5136 PWs) bands (ev): -44.4637 -44.4637 -16.5126 -16.5126 -16.3370 -16.3370 -16.3315 -16.3315 -7.9759 -7.9759 -7.9109 -7.9109 -7.1856 -7.1856 -7.0769 -7.0769 -7.0275 -7.0275 -6.2833 -6.2833 -4.9338 -4.9338 1.6990 1.6990 4.0437 4.0437 4.8126 4.8126 5.1268 5.1268 5.6057 5.6057 5.9789 5.9789 9.4417 9.4417 10.8317 10.8317 11.9475 11.9475 13.0250 13.0250 k = 0.1939-0.3148-0.1915 ( 5133 PWs) bands (ev): -44.4636 -44.4636 -16.5128 -16.5128 -16.3373 -16.3373 -16.3318 -16.3318 -7.9813 -7.9813 -7.9106 -7.9106 -7.1907 -7.1907 -7.0777 -7.0777 -7.0252 -7.0252 -6.2515 -6.2515 -4.9028 -4.9028 1.7063 1.7063 3.9354 3.9354 4.7195 4.7195 5.0821 5.0821 5.5973 5.5973 5.9718 5.9718 9.4741 9.4741 10.8308 10.8308 12.0402 12.0402 13.0805 13.0805 k = 0.2041-0.3313-0.2015 ( 5130 PWs) bands (ev): -44.4636 -44.4636 -16.5131 -16.5131 -16.3376 -16.3376 -16.3320 -16.3320 -7.9870 -7.9870 -7.9102 -7.9102 -7.1959 -7.1959 -7.0783 -7.0783 -7.0228 -7.0228 -6.2182 -6.2182 -4.8714 -4.8714 1.7115 1.7115 3.8305 3.8305 4.6276 4.6276 5.0375 5.0375 5.5880 5.5880 5.9640 5.9640 9.4917 9.4917 10.8387 10.8387 12.1339 12.1339 13.1343 13.1343 k = 0.2143-0.3479-0.2116 ( 5128 PWs) bands (ev): -44.4635 -44.4635 -16.5134 -16.5134 -16.3379 -16.3379 -16.3322 -16.3322 -7.9930 -7.9930 -7.9098 -7.9098 -7.2009 -7.2009 -7.0788 -7.0788 -7.0204 -7.0204 -6.1835 -6.1835 -4.8397 -4.8397 1.7140 1.7140 3.7294 3.7294 4.5374 4.5374 4.9933 4.9933 5.5779 5.5779 5.9555 5.9555 9.4946 9.4946 10.8561 10.8561 12.2257 12.2257 13.1858 13.1858 k = 0.2245-0.3645-0.2217 ( 5121 PWs) bands (ev): -44.4635 -44.4635 -16.5136 -16.5136 -16.3383 -16.3383 -16.3324 -16.3324 -7.9992 -7.9992 -7.9094 -7.9094 -7.2059 -7.2059 -7.0792 -7.0792 -7.0180 -7.0180 -6.1473 -6.1473 -4.8079 -4.8079 1.7134 1.7134 3.6328 3.6328 4.4496 4.4496 4.9494 4.9494 5.5669 5.5669 5.9465 5.9465 9.4841 9.4841 10.8826 10.8826 12.3131 12.3131 13.2336 13.2336 k = 0.2347-0.3810-0.2318 ( 5123 PWs) bands (ev): -44.4635 -44.4635 -16.5139 -16.5139 -16.3387 -16.3387 -16.3326 -16.3326 -8.0055 -8.0055 -7.9090 -7.9090 -7.2107 -7.2107 -7.0795 -7.0795 -7.0156 -7.0156 -6.1099 -6.1099 -4.7762 -4.7762 1.7089 1.7089 3.5409 3.5409 4.3648 4.3648 4.9061 4.9061 5.5548 5.5548 5.9371 5.9371 9.4620 9.4620 10.9163 10.9163 12.3942 12.3942 13.2745 13.2745 k = 0.2449-0.3976-0.2418 ( 5121 PWs) bands (ev): -44.4634 -44.4634 -16.5142 -16.5142 -16.3391 -16.3391 -16.3327 -16.3327 -8.0120 -8.0120 -7.9086 -7.9086 -7.2153 -7.2153 -7.0797 -7.0797 -7.0132 -7.0132 -6.0713 -6.0713 -4.7446 -4.7446 1.7003 1.7003 3.4541 3.4541 4.2836 4.2836 4.8635 4.8635 5.5416 5.5416 5.9273 5.9273 9.4306 9.4306 10.9549 10.9549 12.4677 12.4677 13.2915 13.2915 k = 0.2551-0.4142-0.2519 ( 5122 PWs) bands (ev): -44.4634 -44.4634 -16.5145 -16.5145 -16.3396 -16.3396 -16.3329 -16.3329 -8.0187 -8.0187 -7.9081 -7.9081 -7.2197 -7.2197 -7.0798 -7.0798 -7.0109 -7.0109 -6.0317 -6.0317 -4.7134 -4.7134 1.6870 1.6870 3.3725 3.3725 4.2068 4.2068 4.8216 4.8216 5.5273 5.5273 5.9172 5.9172 9.3922 9.3922 10.9962 10.9962 12.5332 12.5332 13.2664 13.2664 k = 0.2653-0.4307-0.2620 ( 5126 PWs) bands (ev): -44.4634 -44.4634 -16.5149 -16.5149 -16.3401 -16.3401 -16.3330 -16.3330 -8.0254 -8.0254 -7.9077 -7.9077 -7.2240 -7.2240 -7.0798 -7.0798 -7.0085 -7.0085 -5.9911 -5.9911 -4.6827 -4.6827 1.6688 1.6688 3.2961 3.2961 4.1351 4.1351 4.7806 4.7806 5.5118 5.5118 5.9069 5.9069 9.3486 9.3486 11.0376 11.0376 12.5907 12.5907 13.2284 13.2284 k = 0.2755-0.4473-0.2721 ( 5128 PWs) bands (ev): -44.4633 -44.4633 -16.5152 -16.5152 -16.3406 -16.3406 -16.3331 -16.3331 -8.0321 -8.0321 -7.9073 -7.9073 -7.2280 -7.2280 -7.0798 -7.0798 -7.0061 -7.0061 -5.9497 -5.9497 -4.6526 -4.6526 1.6454 1.6454 3.2247 3.2247 4.0693 4.0693 4.7407 4.7407 5.4951 5.4951 5.8965 5.8965 9.3016 9.3016 11.0773 11.0773 12.6411 12.6411 13.1879 13.1879 k = 0.2857-0.4639-0.2822 ( 5136 PWs) bands (ev): -44.4633 -44.4633 -16.5155 -16.5155 -16.3411 -16.3411 -16.3332 -16.3332 -8.0388 -8.0388 -7.9069 -7.9069 -7.2318 -7.2318 -7.0797 -7.0797 -7.0038 -7.0038 -5.9075 -5.9075 -4.6233 -4.6233 1.6170 1.6170 3.1577 3.1577 4.0100 4.0100 4.7018 4.7018 5.4772 5.4772 5.8860 5.8860 9.2526 9.2526 11.1134 11.1134 12.6855 12.6855 13.1470 13.1470 k = 0.2959-0.4804-0.2922 ( 5138 PWs) bands (ev): -44.4633 -44.4633 -16.5158 -16.5158 -16.3416 -16.3416 -16.3332 -16.3332 -8.0455 -8.0455 -7.9065 -7.9065 -7.2353 -7.2353 -7.0796 -7.0796 -7.0015 -7.0015 -5.8649 -5.8649 -4.5948 -4.5948 1.5838 1.5838 3.0947 3.0947 3.9581 3.9581 4.6641 4.6641 5.4580 5.4580 5.8756 5.8756 9.2025 9.2025 11.1449 11.1449 12.7249 12.7249 13.1067 13.1067 k = 0.3061-0.4970-0.3023 ( 5130 PWs) bands (ev): -44.4632 -44.4632 -16.5161 -16.5161 -16.3421 -16.3421 -16.3332 -16.3332 -8.0521 -8.0521 -7.9061 -7.9061 -7.2387 -7.2387 -7.0794 -7.0794 -6.9993 -6.9993 -5.8219 -5.8219 -4.5675 -4.5675 1.5463 1.5463 3.0350 3.0350 3.9139 3.9139 4.6278 4.6278 5.4376 5.4376 5.8652 5.8652 9.1524 9.1524 11.1707 11.1707 12.7595 12.7595 13.0694 13.0694 k = 0.3163-0.5136-0.3124 ( 5128 PWs) bands (ev): -44.4632 -44.4632 -16.5164 -16.5164 -16.3426 -16.3426 -16.3333 -16.3333 -8.0586 -8.0586 -7.9057 -7.9057 -7.2418 -7.2418 -7.0792 -7.0792 -6.9971 -6.9971 -5.7787 -5.7787 -4.5413 -4.5413 1.5050 1.5050 2.9778 2.9778 3.8779 3.8779 4.5928 4.5928 5.4160 5.4160 5.8551 5.8551 9.1028 9.1028 11.1904 11.1904 12.7873 12.7873 13.0387 13.0387 k = 0.3265-0.5301-0.3225 ( 5126 PWs) bands (ev): -44.4632 -44.4632 -16.5167 -16.5167 -16.3431 -16.3431 -16.3333 -16.3333 -8.0650 -8.0650 -7.9054 -7.9054 -7.2447 -7.2447 -7.0789 -7.0789 -6.9950 -6.9950 -5.7354 -5.7354 -4.5165 -4.5165 1.4608 1.4608 2.9226 2.9226 3.8501 3.8501 4.5593 4.5593 5.3931 5.3931 5.8451 5.8451 9.0543 9.0543 11.2039 11.2039 12.8039 12.8039 13.0206 13.0206 k = 0.3367-0.5467-0.3325 ( 5126 PWs) bands (ev): -44.4632 -44.4632 -16.5170 -16.5170 -16.3435 -16.3435 -16.3333 -16.3333 -8.0712 -8.0712 -7.9051 -7.9051 -7.2474 -7.2474 -7.0786 -7.0786 -6.9930 -6.9930 -5.6924 -5.6924 -4.4930 -4.4930 1.4144 1.4144 2.8689 2.8689 3.8305 3.8305 4.5273 4.5273 5.3692 5.3692 5.8354 5.8354 9.0073 9.0073 11.2115 11.2115 12.8044 12.8044 13.0206 13.0206 k = 0.3469-0.5633-0.3426 ( 5127 PWs) bands (ev): -44.4631 -44.4631 -16.5172 -16.5172 -16.3440 -16.3440 -16.3333 -16.3333 -8.0771 -8.0771 -7.9048 -7.9048 -7.2498 -7.2498 -7.0783 -7.0783 -6.9910 -6.9910 -5.6498 -5.6498 -4.4711 -4.4711 1.3668 1.3668 2.8166 2.8166 3.8186 3.8186 4.4970 4.4970 5.3442 5.3442 5.8260 5.8260 8.9623 8.9623 11.2135 11.2135 12.7900 12.7900 13.0367 13.0367 k = 0.3571-0.5798-0.3527 ( 5127 PWs) bands (ev): -44.4631 -44.4631 -16.5175 -16.5175 -16.3444 -16.3444 -16.3333 -16.3333 -8.0829 -8.0829 -7.9045 -7.9045 -7.2521 -7.2521 -7.0780 -7.0780 -6.9891 -6.9891 -5.6079 -5.6079 -4.4508 -4.4508 1.3186 1.3186 2.7656 2.7656 3.8138 3.8138 4.4683 4.4683 5.3182 5.3182 5.8170 5.8170 8.9194 8.9194 11.2107 11.2107 12.7673 12.7673 13.0609 13.0609 k = 0.3673-0.5964-0.3628 ( 5121 PWs) bands (ev): -44.4631 -44.4631 -16.5177 -16.5177 -16.3448 -16.3448 -16.3333 -16.3333 -8.0883 -8.0883 -7.9042 -7.9042 -7.2542 -7.2542 -7.0777 -7.0777 -6.9873 -6.9873 -5.5669 -5.5669 -4.4321 -4.4321 1.2707 1.2707 2.7161 2.7161 3.8153 3.8153 4.4414 4.4414 5.2915 5.2915 5.8085 5.8085 8.8788 8.8788 11.2039 11.2039 12.7420 12.7420 13.0843 13.0843 k = 0.3776-0.6130-0.3728 ( 5127 PWs) bands (ev): -44.4631 -44.4631 -16.5180 -16.5180 -16.3453 -16.3453 -16.3333 -16.3333 -8.0935 -8.0935 -7.9040 -7.9040 -7.2561 -7.2561 -7.0774 -7.0774 -6.9856 -6.9856 -5.5270 -5.5270 -4.4152 -4.4152 1.2238 1.2238 2.6684 2.6684 3.8222 3.8222 4.4164 4.4164 5.2642 5.2642 5.8004 5.8004 8.8408 8.8408 11.1938 11.1938 12.7173 12.7173 13.1002 13.1002 k = 0.3878-0.6295-0.3829 ( 5125 PWs) bands (ev): -44.4630 -44.4630 -16.5182 -16.5182 -16.3456 -16.3456 -16.3333 -16.3333 -8.0984 -8.0984 -7.9038 -7.9038 -7.2578 -7.2578 -7.0770 -7.0770 -6.9840 -6.9840 -5.4887 -5.4887 -4.4000 -4.4000 1.1786 1.1786 2.6227 2.6227 3.8335 3.8335 4.3932 4.3932 5.2365 5.2365 5.7928 5.7928 8.8055 8.8055 11.1812 11.1812 12.6947 12.6947 13.1042 13.1042 k = 0.3980-0.6461-0.3930 ( 5129 PWs) bands (ev): -44.4630 -44.4630 -16.5184 -16.5184 -16.3460 -16.3460 -16.3333 -16.3333 -8.1029 -8.1029 -7.9036 -7.9036 -7.2593 -7.2593 -7.0767 -7.0767 -6.9826 -6.9826 -5.4520 -5.4520 -4.3866 -4.3866 1.1357 1.1357 2.5795 2.5795 3.8484 3.8484 4.3720 4.3720 5.2088 5.2088 5.7857 5.7857 8.7731 8.7731 11.1671 11.1671 12.6750 12.6750 13.0954 13.0954 k = 0.4082-0.6627-0.4031 ( 5135 PWs) bands (ev): -44.4630 -44.4630 -16.5186 -16.5186 -16.3463 -16.3463 -16.3334 -16.3334 -8.1070 -8.1070 -7.9034 -7.9034 -7.2607 -7.2607 -7.0764 -7.0764 -6.9812 -6.9812 -5.4175 -5.4175 -4.3749 -4.3749 1.0954 1.0954 2.5391 2.5391 3.8659 3.8659 4.3528 4.3528 5.1813 5.1813 5.7793 5.7793 8.7435 8.7435 11.1522 11.1522 12.6587 12.6587 13.0766 13.0766 k = 0.4184-0.6792-0.4132 ( 5130 PWs) bands (ev): -44.4630 -44.4630 -16.5188 -16.5188 -16.3466 -16.3466 -16.3333 -16.3333 -8.1107 -8.1107 -7.9032 -7.9032 -7.2619 -7.2619 -7.0761 -7.0761 -6.9800 -6.9800 -5.3854 -5.3854 -4.3649 -4.3649 1.0584 1.0584 2.5019 2.5019 3.8849 3.8849 4.3357 4.3357 5.1545 5.1545 5.7734 5.7734 8.7169 8.7169 11.1370 11.1370 12.6459 12.6459 13.0513 13.0513 k = 0.4286-0.6958-0.4232 ( 5131 PWs) bands (ev): -44.4630 -44.4630 -16.5189 -16.5189 -16.3468 -16.3468 -16.3333 -16.3333 -8.1141 -8.1141 -7.9031 -7.9031 -7.2630 -7.2630 -7.0759 -7.0759 -6.9789 -6.9789 -5.3560 -5.3560 -4.3564 -4.3564 1.0249 1.0249 2.4682 2.4682 3.9046 3.9046 4.3206 4.3206 5.1288 5.1288 5.7682 5.7682 8.6933 8.6933 11.1223 11.1223 12.6363 12.6363 13.0227 13.0227 k = 0.4388-0.7124-0.4333 ( 5135 PWs) bands (ev): -44.4629 -44.4629 -16.5191 -16.5191 -16.3471 -16.3471 -16.3333 -16.3333 -8.1170 -8.1170 -7.9030 -7.9030 -7.2639 -7.2639 -7.0756 -7.0756 -6.9779 -6.9779 -5.3296 -5.3296 -4.3494 -4.3494 0.9952 0.9952 2.4384 2.4384 3.9241 3.9241 4.3077 4.3077 5.1047 5.1047 5.7636 5.7636 8.6728 8.6728 11.1085 11.1085 12.6300 12.6300 12.9935 12.9935 k = 0.4490-0.7289-0.4434 ( 5131 PWs) bands (ev): -44.4629 -44.4629 -16.5192 -16.5192 -16.3473 -16.3473 -16.3333 -16.3333 -8.1195 -8.1195 -7.9029 -7.9029 -7.2646 -7.2646 -7.0754 -7.0754 -6.9771 -6.9771 -5.3067 -5.3067 -4.3439 -4.3439 0.9697 0.9697 2.4127 2.4127 3.9424 3.9424 4.2968 4.2968 5.0829 5.0829 5.7597 5.7597 8.6554 8.6554 11.0961 11.0961 12.6263 12.6263 12.9654 12.9654 k = 0.4592-0.7455-0.4535 ( 5133 PWs) bands (ev): -44.4629 -44.4629 -16.5193 -16.5193 -16.3474 -16.3474 -16.3333 -16.3333 -8.1216 -8.1216 -7.9028 -7.9028 -7.2652 -7.2652 -7.0753 -7.0753 -6.9764 -6.9764 -5.2874 -5.2874 -4.3395 -4.3395 0.9486 0.9486 2.3914 2.3914 3.9587 3.9587 4.2881 4.2881 5.0639 5.0639 5.7565 5.7565 8.6411 8.6411 11.0854 11.0854 12.6250 12.6250 12.9400 12.9400 k = 0.4694-0.7621-0.4635 ( 5128 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3475 -16.3475 -16.3333 -16.3333 -8.1232 -8.1232 -7.9027 -7.9027 -7.2657 -7.2657 -7.0751 -7.0751 -6.9759 -6.9759 -5.2721 -5.2721 -4.3363 -4.3363 0.9320 0.9320 2.3746 2.3746 3.9723 3.9723 4.2814 4.2814 5.0483 5.0483 5.7539 5.7539 8.6300 8.6300 11.0768 11.0768 12.6252 12.6252 12.9184 12.9184 k = 0.4796-0.7786-0.4736 ( 5138 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1244 -8.1244 -7.9027 -7.9027 -7.2661 -7.2661 -7.0750 -7.0750 -6.9755 -6.9755 -5.2610 -5.2610 -4.3341 -4.3341 0.9200 0.9200 2.3625 2.3625 3.9825 3.9825 4.2767 4.2767 5.0366 5.0366 5.7521 5.7521 8.6221 8.6221 11.0705 11.0705 12.6263 12.6263 12.9018 12.9018 k = 0.4898-0.7952-0.4837 ( 5144 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1251 -8.1251 -7.9027 -7.9027 -7.2663 -7.2663 -7.0750 -7.0750 -6.9753 -6.9753 -5.2543 -5.2543 -4.3328 -4.3328 0.9128 0.9128 2.3551 2.3551 3.9888 3.9888 4.2740 4.2740 5.0295 5.0295 5.7510 5.7510 8.6173 8.6173 11.0667 11.0667 12.6273 12.6273 12.8914 12.8914 k = 0.5000-0.8118-0.4938 ( 5144 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3478 -16.3478 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2520 -5.2520 -4.3324 -4.3324 0.9104 0.9104 2.3527 2.3527 3.9909 3.9909 4.2731 4.2731 5.0270 5.0270 5.7507 5.7507 8.6157 8.6157 11.0654 11.0654 12.6277 12.6277 12.8878 12.8878 k = 0.5000-0.8118-0.4938 ( 5144 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3478 -16.3478 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2520 -5.2520 -4.3324 -4.3324 0.9104 0.9104 2.3527 2.3527 3.9909 3.9909 4.2731 4.2731 5.0270 5.0270 5.7507 5.7507 8.6157 8.6157 11.0654 11.0654 12.6277 12.6277 12.8878 12.8878 k = 0.5000-0.8004-0.5125 ( 5148 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3478 -16.3478 -16.3334 -16.3334 -8.1251 -8.1251 -7.9028 -7.9028 -7.2663 -7.2663 -7.0753 -7.0753 -6.9753 -6.9753 -5.2507 -5.2507 -4.3325 -4.3325 0.9106 0.9106 2.3539 2.3539 3.9904 3.9904 4.2666 4.2666 5.0295 5.0295 5.7464 5.7464 8.6207 8.6207 11.0731 11.0731 12.6284 12.6284 12.8857 12.8857 k = 0.5000-0.7890-0.5312 ( 5140 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3334 -16.3334 -8.1245 -8.1245 -7.9033 -7.9033 -7.2661 -7.2661 -7.0763 -7.0763 -6.9756 -6.9756 -5.2466 -5.2466 -4.3330 -4.3330 0.9112 0.9112 2.3574 2.3574 3.9888 3.9888 4.2478 4.2478 5.0366 5.0366 5.7339 5.7339 8.6356 8.6356 11.0960 11.0960 12.6304 12.6304 12.8793 12.8793 k = 0.5000-0.7776-0.5499 ( 5136 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3334 -16.3334 -8.1235 -8.1235 -7.9042 -7.9042 -7.2658 -7.2658 -7.0780 -7.0780 -6.9762 -6.9762 -5.2400 -5.2400 -4.3338 -4.3338 0.9121 0.9121 2.3633 2.3633 3.9860 3.9860 4.2177 4.2177 5.0476 5.0476 5.7133 5.7133 8.6600 8.6600 11.1339 11.1339 12.6336 12.6336 12.8684 12.8684 k = 0.5000-0.7663-0.5686 ( 5142 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3335 -16.3335 -8.1220 -8.1220 -7.9054 -7.9054 -7.2655 -7.2655 -7.0803 -7.0803 -6.9770 -6.9770 -5.2307 -5.2307 -4.3349 -4.3349 0.9134 0.9134 2.3716 2.3716 3.9814 3.9814 4.1783 4.1783 5.0614 5.0614 5.6855 5.6855 8.6931 8.6931 11.1861 11.1861 12.6379 12.6379 12.8526 12.8526 k = 0.5000-0.7549-0.5873 ( 5132 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3336 -16.3336 -8.1202 -8.1202 -7.9069 -7.9069 -7.2650 -7.2650 -7.0833 -7.0833 -6.9778 -6.9778 -5.2190 -5.2190 -4.3364 -4.3364 0.9150 0.9150 2.3821 2.3821 3.9740 3.9740 4.1318 4.1318 5.0772 5.0772 5.6513 5.6513 8.7341 8.7341 11.2519 11.2519 12.6429 12.6429 12.8320 12.8320 k = 0.5000-0.7435-0.6060 ( 5132 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3337 -16.3337 -8.1180 -8.1180 -7.9087 -7.9087 -7.2644 -7.2644 -7.0870 -7.0870 -6.9788 -6.9788 -5.2048 -5.2048 -4.3382 -4.3382 0.9169 0.9169 2.3950 2.3950 3.9618 3.9618 4.0819 4.0819 5.0941 5.0941 5.6116 5.6116 8.7817 8.7817 11.3305 11.3305 12.6479 12.6479 12.8071 12.8071 k = 0.5000-0.7321-0.6247 ( 5134 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3476 -16.3476 -16.3339 -16.3339 -8.1154 -8.1154 -7.9109 -7.9109 -7.2636 -7.2636 -7.0912 -7.0912 -6.9799 -6.9799 -5.1883 -5.1883 -4.3405 -4.3405 0.9189 0.9189 2.4101 2.4101 3.9391 3.9391 4.0353 4.0353 5.1113 5.1113 5.5676 5.5676 8.8347 8.8347 11.4208 11.4208 12.6520 12.6520 12.7792 12.7792 k = 0.5000-0.7208-0.6434 ( 5130 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3475 -16.3475 -16.3340 -16.3340 -8.1125 -8.1125 -7.9135 -7.9135 -7.2628 -7.2628 -7.0960 -7.0960 -6.9810 -6.9810 -5.1696 -5.1696 -4.3432 -4.3432 0.9210 0.9210 2.4275 2.4275 3.8984 3.8984 4.0006 4.0006 5.1285 5.1285 5.5207 5.5207 8.8916 8.8916 11.5217 11.5217 12.6527 12.6527 12.7515 12.7515 k = 0.5000-0.7094-0.6621 ( 5128 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3474 -16.3474 -16.3341 -16.3341 -8.1092 -8.1092 -7.9163 -7.9163 -7.2618 -7.2618 -7.1012 -7.1012 -6.9820 -6.9820 -5.1489 -5.1489 -4.3464 -4.3464 0.9232 0.9232 2.4471 2.4471 3.8413 3.8413 3.9768 3.9768 5.1454 5.1454 5.4721 5.4721 8.9509 8.9509 11.6321 11.6321 12.6453 12.6453 12.7298 12.7298 k = 0.5000-0.6980-0.6808 ( 5124 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3474 -16.3474 -16.3343 -16.3343 -8.1056 -8.1056 -7.9195 -7.9195 -7.2607 -7.2607 -7.1069 -7.1069 -6.9831 -6.9831 -5.1263 -5.1263 -4.3502 -4.3502 0.9253 0.9253 2.4688 2.4688 3.7760 3.7760 3.9567 3.9567 5.1617 5.1617 5.4232 5.4232 9.0111 9.0111 11.7507 11.7507 12.6262 12.6262 12.7189 12.7189 k = 0.5000-0.6866-0.6995 ( 5120 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3473 -16.3473 -16.3345 -16.3345 -8.1018 -8.1018 -7.9230 -7.9230 -7.2594 -7.2594 -7.1129 -7.1129 -6.9841 -6.9841 -5.1019 -5.1019 -4.3546 -4.3546 0.9273 0.9273 2.4925 2.4925 3.7072 3.7072 3.9358 3.9358 5.1773 5.1773 5.3754 5.3754 9.0706 9.0706 11.8760 11.8760 12.5993 12.5993 12.7159 12.7159 k = 0.5000-0.6752-0.7183 ( 5118 PWs) bands (ev): -44.4628 -44.4628 -16.5197 -16.5197 -16.3473 -16.3473 -16.3347 -16.3347 -8.0976 -8.0976 -7.9268 -7.9268 -7.2580 -7.2580 -7.1193 -7.1193 -6.9850 -6.9850 -5.0759 -5.0759 -4.3596 -4.3596 0.9290 0.9290 2.5183 2.5183 3.6375 3.6375 3.9123 3.9123 5.1921 5.1921 5.3299 5.3299 9.1279 9.1279 12.0060 12.0060 12.5715 12.5715 12.7153 12.7153 k = 0.5000-0.6639-0.7370 ( 5124 PWs) bands (ev): -44.4628 -44.4628 -16.5197 -16.5197 -16.3472 -16.3472 -16.3349 -16.3349 -8.0932 -8.0932 -7.9309 -7.9309 -7.2564 -7.2564 -7.1258 -7.1258 -6.9858 -6.9858 -5.0485 -5.0485 -4.3653 -4.3653 0.9304 0.9304 2.5460 2.5460 3.5681 3.5681 3.8852 3.8852 5.2057 5.2057 5.2882 5.2882 9.1817 9.1817 12.1377 12.1377 12.5480 12.5480 12.7136 12.7136 k = 0.5000-0.6525-0.7557 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3471 -16.3471 -16.3351 -16.3351 -8.0885 -8.0885 -7.9353 -7.9353 -7.2547 -7.2547 -7.1325 -7.1325 -6.9866 -6.9866 -5.0198 -5.0198 -4.3718 -4.3718 0.9312 0.9312 2.5755 2.5755 3.5003 3.5003 3.8540 3.8540 5.2166 5.2166 5.2528 5.2528 9.2305 9.2305 12.2642 12.2642 12.5349 12.5349 12.7097 12.7097 k = 0.5000-0.6411-0.7744 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3471 -16.3471 -16.3353 -16.3353 -8.0836 -8.0836 -7.9399 -7.9399 -7.2528 -7.2528 -7.1393 -7.1393 -6.9873 -6.9873 -4.9901 -4.9901 -4.3792 -4.3792 0.9315 0.9315 2.6066 2.6066 3.4348 3.4348 3.8186 3.8186 5.2091 5.2091 5.2400 5.2400 9.2735 9.2735 12.3651 12.3651 12.5475 12.5475 12.7065 12.7065 k = 0.5000-0.6297-0.7931 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3470 -16.3470 -16.3355 -16.3355 -8.0785 -8.0785 -7.9448 -7.9448 -7.2508 -7.2508 -7.1461 -7.1461 -6.9879 -6.9879 -4.9595 -4.9595 -4.3875 -4.3875 0.9311 0.9311 2.6391 2.6391 3.3724 3.3724 3.7790 3.7790 5.1849 5.1849 5.2486 5.2486 9.3099 9.3099 12.4096 12.4096 12.5916 12.5916 12.7264 12.7264 k = 0.5000-0.6183-0.8118 ( 5112 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3470 -16.3470 -16.3357 -16.3357 -8.0733 -8.0733 -7.9499 -7.9499 -7.2486 -7.2486 -7.1529 -7.1529 -6.9885 -6.9885 -4.9281 -4.9281 -4.3969 -4.3969 0.9300 0.9300 2.6729 2.6729 3.3137 3.3137 3.7357 3.7357 5.1636 5.1636 5.2592 5.2592 9.3390 9.3390 12.4167 12.4167 12.5999 12.5999 12.8146 12.8146 k = 0.5000-0.6070-0.8305 ( 5110 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3469 -16.3469 -16.3358 -16.3358 -8.0680 -8.0680 -7.9552 -7.9552 -7.2462 -7.2462 -7.1595 -7.1595 -6.9889 -6.9889 -4.8961 -4.8961 -4.4074 -4.4074 0.9281 0.9281 2.7077 2.7077 3.2592 3.2592 3.6893 3.6893 5.1476 5.1476 5.2695 5.2695 9.3606 9.3606 12.4123 12.4123 12.5753 12.5753 12.9394 12.9394 k = 0.5000-0.5956-0.8492 ( 5106 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3469 -16.3469 -16.3360 -16.3360 -8.0625 -8.0625 -7.9607 -7.9607 -7.2436 -7.2436 -7.1660 -7.1660 -6.9893 -6.9893 -4.8638 -4.8638 -4.4190 -4.4190 0.9253 0.9253 2.7428 2.7428 3.2095 3.2095 3.6407 3.6407 5.1369 5.1369 5.2791 5.2791 9.3750 9.3750 12.3990 12.3990 12.5432 12.5432 13.0690 13.0690 k = 0.5000-0.5842-0.8679 ( 5104 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3468 -16.3468 -16.3362 -16.3362 -8.0569 -8.0569 -7.9663 -7.9663 -7.2409 -7.2409 -7.1723 -7.1723 -6.9896 -6.9896 -4.8314 -4.8314 -4.4319 -4.4319 0.9217 0.9217 2.7778 2.7778 3.1649 3.1649 3.5913 3.5913 5.1312 5.1312 5.2879 5.2879 9.3824 9.3824 12.3699 12.3699 12.5186 12.5186 13.1915 13.1915 k = 0.5000-0.5728-0.8866 ( 5104 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3468 -16.3468 -16.3363 -16.3363 -8.0513 -8.0513 -7.9720 -7.9720 -7.2379 -7.2379 -7.1785 -7.1785 -6.9899 -6.9899 -4.7989 -4.7989 -4.4462 -4.4462 0.9174 0.9174 2.8117 2.8117 3.1258 3.1258 3.5425 3.5425 5.1300 5.1300 5.2959 5.2959 9.3833 9.3833 12.3201 12.3201 12.5091 12.5091 13.2984 13.2984 k = 0.5000-0.5615-0.9053 ( 5106 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3468 -16.3468 -16.3364 -16.3364 -8.0457 -8.0457 -7.9778 -7.9778 -7.2349 -7.2349 -7.1843 -7.1843 -6.9901 -6.9901 -4.7665 -4.7665 -4.4619 -4.4619 0.9124 0.9124 2.8433 2.8433 3.0924 3.0924 3.4963 3.4963 5.1329 5.1329 5.3029 5.3029 9.3787 9.3787 12.2549 12.2549 12.5113 12.5113 13.3845 13.3845 k = 0.5000-0.5501-0.9240 ( 5110 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3366 -16.3366 -8.0401 -8.0401 -7.9836 -7.9836 -7.2316 -7.2316 -7.1899 -7.1899 -6.9903 -6.9903 -4.7346 -4.7346 -4.4791 -4.4791 0.9069 0.9069 2.8706 2.8706 3.0649 3.0649 3.4553 3.4553 5.1394 5.1394 5.3090 5.3090 9.3692 9.3692 12.1806 12.1806 12.5200 12.5200 13.4504 13.4504 k = 0.5000-0.5387-0.9427 ( 5114 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3367 -16.3367 -8.0345 -8.0345 -7.9894 -7.9894 -7.2282 -7.2282 -7.1953 -7.1953 -6.9904 -6.9904 -4.7032 -4.7032 -4.4979 -4.4979 0.9011 0.9011 2.8911 2.8911 3.0434 3.0434 3.4225 3.4225 5.1488 5.1488 5.3141 5.3141 9.3557 9.3557 12.1014 12.1014 12.5320 12.5320 13.5017 13.5017 k = 0.5000-0.5273-0.9614 ( 5118 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0290 -8.0290 -7.9950 -7.9950 -7.2246 -7.2246 -7.2003 -7.2003 -6.9905 -6.9905 -4.6725 -4.6725 -4.5183 -4.5183 0.8952 0.8952 2.9022 2.9022 3.0277 3.0277 3.4013 3.4013 5.1607 5.1607 5.3182 5.3182 9.3393 9.3393 12.0198 12.0198 12.5455 12.5455 13.5435 13.5435 k = 0.5000-0.5159-0.9801 ( 5122 PWs) bands (ev): -44.4628 -44.4628 -16.5202 -16.5202 -16.3468 -16.3468 -16.3368 -16.3368 -8.0237 -8.0237 -8.0005 -8.0005 -7.2209 -7.2209 -7.2051 -7.2051 -6.9905 -6.9905 -4.6427 -4.6427 -4.5404 -4.5404 0.8895 0.8895 2.9021 2.9021 3.0173 3.0173 3.3946 3.3946 5.1746 5.1746 5.3211 5.3211 9.3208 9.3208 11.9372 11.9372 12.5593 12.5593 13.5786 13.5786 k = 0.5000-0.5046-0.9989 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5202 -16.5202 -16.3468 -16.3468 -16.3369 -16.3369 -8.0190 -8.0190 -8.0053 -8.0053 -7.2170 -7.2170 -7.2095 -7.2095 -6.9906 -6.9906 -4.6140 -4.6140 -4.5643 -4.5643 0.8842 0.8842 2.8908 2.8908 3.0117 3.0117 3.4032 3.4032 5.1900 5.1900 5.3230 5.3230 9.3009 9.3009 11.8550 11.8550 12.5727 12.5727 13.6075 13.6075 k = 0.5000-0.4932-1.0176 ( 5116 PWs) bands (ev): -44.4628 -44.4628 -16.5202 -16.5202 -16.3468 -16.3468 -16.3369 -16.3369 -8.0167 -8.0167 -8.0076 -8.0076 -7.2139 -7.2139 -7.2128 -7.2128 -6.9906 -6.9906 -4.5906 -4.5906 -4.5860 -4.5860 0.8798 0.8798 2.8701 2.8701 3.0109 3.0109 3.4254 3.4254 5.2065 5.2065 5.3238 5.3238 9.2805 9.2805 11.7741 11.7741 12.5852 12.5852 13.6294 13.6294 k = 0.5000-0.4818-1.0363 ( 5118 PWs) bands (ev): -44.4628 -44.4628 -16.5202 -16.5202 -16.3468 -16.3468 -16.3368 -16.3368 -8.0195 -8.0195 -8.0048 -8.0048 -7.2176 -7.2176 -7.2089 -7.2089 -6.9906 -6.9906 -4.6175 -4.6175 -4.5605 -4.5605 0.8765 0.8765 2.8427 2.8427 3.0152 3.0152 3.4586 3.4586 5.2237 5.2237 5.3235 5.3235 9.2602 9.2602 11.6953 11.6953 12.5962 12.5962 13.6427 13.6427 k = 0.5000-0.4704-1.0550 ( 5116 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0239 -8.0239 -8.0003 -8.0003 -7.2212 -7.2212 -7.2047 -7.2047 -6.9905 -6.9905 -4.6468 -4.6468 -4.5361 -4.5361 0.8747 0.8747 2.8115 2.8115 3.0243 3.0243 3.5000 3.5000 5.2411 5.2411 5.3221 5.3221 9.2405 9.2405 11.6192 11.6192 12.6056 12.6056 13.6453 13.6453 k = 0.5000-0.4590-1.0737 ( 5108 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3467 -16.3467 -16.3367 -16.3367 -8.0285 -8.0285 -7.9954 -7.9954 -7.2245 -7.2245 -7.2004 -7.2004 -6.9905 -6.9905 -4.6780 -4.6780 -4.5135 -4.5135 0.8746 0.8746 2.7790 2.7790 3.0380 3.0380 3.5474 3.5474 5.2584 5.2584 5.3198 5.3198 9.2222 9.2222 11.5464 11.5464 12.6132 12.6132 13.6357 13.6357 k = 0.8150-0.3698-0.9014 ( 5108 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3467 -16.3467 -16.3367 -16.3367 -8.0285 -8.0285 -7.9954 -7.9954 -7.2245 -7.2245 -7.2004 -7.2004 -6.9905 -6.9905 -4.6780 -4.6780 -4.5135 -4.5135 0.8746 0.8746 2.7790 2.7790 3.0380 3.0380 3.5474 3.5474 5.2584 5.2584 5.3198 5.3198 9.2222 9.2222 11.5464 11.5464 12.6132 12.6132 13.6357 13.6357 k = 0.8091-0.3602-0.8828 ( 5108 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3467 -16.3467 -16.3367 -16.3367 -8.0330 -8.0330 -7.9906 -7.9906 -7.2276 -7.2276 -7.1961 -7.1961 -6.9905 -6.9905 -4.7108 -4.7108 -4.4929 -4.4929 0.8766 0.8766 2.7470 2.7470 3.0559 3.0559 3.5990 3.5990 5.2751 5.2751 5.3167 5.3167 9.2055 9.2055 11.4777 11.4777 12.6190 12.6190 13.6140 13.6140 k = 0.8031-0.3505-0.8641 ( 5108 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3467 -16.3467 -16.3366 -16.3366 -8.0371 -8.0371 -7.9858 -7.9858 -7.2303 -7.2303 -7.1917 -7.1917 -6.9905 -6.9905 -4.7453 -4.7453 -4.4744 -4.4744 0.8809 0.8809 2.7169 2.7169 3.0777 3.0777 3.6539 3.6539 5.2903 5.2903 5.3135 5.3135 9.1908 9.1908 11.4131 11.4131 12.6230 12.6230 13.5819 13.5819 k = 0.7972-0.3409-0.8455 ( 5108 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3466 -16.3466 -16.3365 -16.3365 -8.0410 -8.0410 -7.9812 -7.9812 -7.2328 -7.2328 -7.1872 -7.1872 -6.9906 -6.9906 -4.7816 -4.7816 -4.4580 -4.4580 0.8877 0.8877 2.6896 2.6896 3.1031 3.1031 3.7114 3.7114 5.3002 5.3002 5.3139 5.3139 9.1783 9.1783 11.3530 11.3530 12.6254 12.6254 13.5418 13.5418 k = 0.7912-0.3312-0.8269 ( 5106 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3466 -16.3466 -16.3364 -16.3364 -8.0446 -8.0446 -7.9767 -7.9767 -7.2350 -7.2350 -7.1828 -7.1828 -6.9906 -6.9906 -4.8196 -4.8196 -4.4440 -4.4440 0.8971 0.8971 2.6658 2.6658 3.1316 3.1316 3.7708 3.7708 5.2986 5.2986 5.3240 5.3240 9.1683 9.1683 11.2978 11.2978 12.6263 12.6263 13.4964 13.4964 k = 0.7853-0.3216-0.8082 ( 5104 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3465 -16.3465 -16.3363 -16.3363 -8.0477 -8.0477 -7.9724 -7.9724 -7.2370 -7.2370 -7.1783 -7.1783 -6.9907 -6.9907 -4.8591 -4.8591 -4.4324 -4.4324 0.9095 0.9095 2.6460 2.6460 3.1629 3.1629 3.8318 3.8318 5.2934 5.2934 5.3357 5.3357 9.1609 9.1609 11.2478 11.2478 12.6262 12.6262 13.4479 13.4479 k = 0.7794-0.3119-0.7896 ( 5106 PWs) bands (ev): -44.4628 -44.4628 -16.5197 -16.5197 -16.3464 -16.3464 -16.3362 -16.3362 -8.0505 -8.0505 -7.9682 -7.9682 -7.2387 -7.2387 -7.1738 -7.1738 -6.9909 -6.9909 -4.9001 -4.9001 -4.4233 -4.4233 0.9248 0.9248 2.6307 2.6307 3.1968 3.1968 3.8940 3.8940 5.2875 5.2875 5.3462 5.3462 9.1563 9.1563 11.2031 11.2031 12.6253 12.6253 13.3979 13.3979 k = 0.7734-0.3023-0.7710 ( 5106 PWs) bands (ev): -44.4628 -44.4628 -16.5196 -16.5196 -16.3462 -16.3462 -16.3361 -16.3361 -8.0529 -8.0529 -7.9643 -7.9643 -7.2402 -7.2402 -7.1693 -7.1693 -6.9911 -6.9911 -4.9426 -4.9426 -4.4168 -4.4168 0.9432 0.9432 2.6201 2.6201 3.2328 3.2328 3.9570 3.9570 5.2815 5.2815 5.3551 5.3551 9.1544 9.1544 11.1641 11.1641 12.6240 12.6240 13.3478 13.3478 k = 0.7675-0.2926-0.7523 ( 5118 PWs) bands (ev): -44.4628 -44.4628 -16.5195 -16.5195 -16.3461 -16.3461 -16.3360 -16.3360 -8.0549 -8.0549 -7.9604 -7.9604 -7.2414 -7.2414 -7.1649 -7.1649 -6.9913 -6.9913 -4.9863 -4.9863 -4.4130 -4.4130 0.9646 0.9646 2.6145 2.6145 3.2707 3.2707 4.0207 4.0207 5.2756 5.2756 5.3620 5.3620 9.1553 9.1553 11.1308 11.1308 12.6227 12.6227 13.2986 13.2986 k = 0.7615-0.2830-0.7337 ( 5122 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3460 -16.3460 -16.3359 -16.3359 -8.0564 -8.0564 -7.9568 -7.9568 -7.2424 -7.2424 -7.1605 -7.1605 -6.9917 -6.9917 -5.0312 -5.0312 -4.4118 -4.4118 0.9891 0.9891 2.6141 2.6141 3.3102 3.3102 4.0848 4.0848 5.2702 5.2702 5.3667 5.3667 9.1589 9.1589 11.1033 11.1033 12.6218 12.6218 13.2510 13.2510 k = 0.7556-0.2733-0.7151 ( 5124 PWs) bands (ev): -44.4629 -44.4629 -16.5192 -16.5192 -16.3458 -16.3458 -16.3358 -16.3358 -8.0575 -8.0575 -7.9533 -7.9533 -7.2432 -7.2432 -7.1562 -7.1562 -6.9921 -6.9921 -5.0772 -5.0772 -4.4133 -4.4133 1.0167 1.0167 2.6190 2.6190 3.3509 3.3509 4.1490 4.1490 5.2655 5.2655 5.3693 5.3693 9.1653 9.1653 11.0818 11.0818 12.6217 12.6217 13.2056 13.2056 k = 0.7496-0.2637-0.6964 ( 5130 PWs) bands (ev): -44.4629 -44.4629 -16.5191 -16.5191 -16.3456 -16.3456 -16.3357 -16.3357 -8.0581 -8.0581 -7.9500 -7.9500 -7.2437 -7.2437 -7.1519 -7.1519 -6.9925 -6.9925 -5.1241 -5.1241 -4.4176 -4.4176 1.0473 1.0473 2.6294 2.6294 3.3925 3.3925 4.2131 4.2131 5.2620 5.2620 5.3696 5.3696 9.1742 9.1742 11.0662 11.0662 12.6227 12.6227 13.1630 13.1630 k = 0.7437-0.2540-0.6778 ( 5132 PWs) bands (ev): -44.4629 -44.4629 -16.5189 -16.5189 -16.3454 -16.3454 -16.3356 -16.3356 -8.0583 -8.0583 -7.9468 -7.9468 -7.2440 -7.2440 -7.1478 -7.1478 -6.9930 -6.9930 -5.1718 -5.1718 -4.4245 -4.4245 1.0807 1.0807 2.6451 2.6451 3.4349 3.4349 4.2770 4.2770 5.2598 5.2598 5.3678 5.3678 9.1856 9.1856 11.0566 11.0566 12.6253 12.6253 13.1234 13.1234 k = 0.7377-0.2444-0.6592 ( 5132 PWs) bands (ev): -44.4629 -44.4629 -16.5187 -16.5187 -16.3451 -16.3451 -16.3355 -16.3355 -8.0581 -8.0581 -7.9438 -7.9438 -7.2441 -7.2441 -7.1437 -7.1437 -6.9937 -6.9937 -5.2201 -5.2201 -4.4341 -4.4341 1.1169 1.1169 2.6663 2.6663 3.4776 3.4776 4.3403 4.3403 5.2593 5.2593 5.3638 5.3638 9.1994 9.1994 11.0528 11.0528 12.6296 12.6296 13.0873 13.0873 k = 0.7318-0.2347-0.6405 ( 5132 PWs) bands (ev): -44.4630 -44.4630 -16.5185 -16.5185 -16.3449 -16.3449 -16.3354 -16.3354 -8.0574 -8.0574 -7.9410 -7.9410 -7.2439 -7.2439 -7.1397 -7.1397 -6.9944 -6.9944 -5.2689 -5.2689 -4.4463 -4.4463 1.1557 1.1557 2.6929 2.6929 3.5206 3.5206 4.4029 4.4029 5.2607 5.2607 5.3578 5.3578 9.2155 9.2155 11.0546 11.0546 12.6359 12.6359 13.0549 13.0549 k = 0.7259-0.2251-0.6219 ( 5134 PWs) bands (ev): -44.4630 -44.4630 -16.5183 -16.5183 -16.3446 -16.3446 -16.3353 -16.3353 -8.0562 -8.0562 -7.9384 -7.9384 -7.2435 -7.2435 -7.1358 -7.1358 -6.9952 -6.9952 -5.3181 -5.3181 -4.4609 -4.4609 1.1969 1.1969 2.7249 2.7249 3.5635 3.5635 4.4643 4.4643 5.2642 5.2642 5.3501 5.3501 9.2336 9.2336 11.0620 11.0620 12.6443 12.6443 13.0262 13.0262 k = 0.7199-0.2154-0.6033 ( 5138 PWs) bands (ev): -44.4630 -44.4630 -16.5181 -16.5181 -16.3442 -16.3442 -16.3352 -16.3352 -8.0547 -8.0547 -7.9359 -7.9359 -7.2429 -7.2429 -7.1320 -7.1320 -6.9961 -6.9961 -5.3676 -5.3676 -4.4780 -4.4780 1.2402 1.2402 2.7621 2.7621 3.6063 3.6063 4.5243 4.5243 5.2701 5.2701 5.3410 5.3410 9.2538 9.2538 11.0747 11.0747 12.6549 12.6549 13.0014 13.0014 k = 0.7140-0.2058-0.5846 ( 5142 PWs) bands (ev): -44.4631 -44.4631 -16.5179 -16.5179 -16.3439 -16.3439 -16.3350 -16.3350 -8.0527 -8.0527 -7.9336 -7.9336 -7.2421 -7.2421 -7.1284 -7.1284 -6.9970 -6.9970 -5.4171 -5.4171 -4.4975 -4.4975 1.2855 1.2855 2.8045 2.8045 3.6488 3.6488 4.5826 4.5826 5.2783 5.2783 5.3310 5.3310 9.2758 9.2758 11.0924 11.0924 12.6675 12.6675 12.9803 12.9803 k = 0.7080-0.1961-0.5660 ( 5154 PWs) bands (ev): -44.4631 -44.4631 -16.5176 -16.5176 -16.3436 -16.3436 -16.3350 -16.3350 -8.0503 -8.0503 -7.9314 -7.9314 -7.2410 -7.2410 -7.1249 -7.1249 -6.9981 -6.9981 -5.4665 -5.4665 -4.5191 -4.5191 1.3325 1.3325 2.8519 2.8519 3.6910 3.6910 4.6385 4.6385 5.2880 5.2880 5.3216 5.3216 9.2994 9.2994 11.1148 11.1148 12.6817 12.6817 12.9623 12.9623 k = 0.7021-0.1865-0.5474 ( 5150 PWs) bands (ev): -44.4631 -44.4631 -16.5174 -16.5174 -16.3432 -16.3432 -16.3348 -16.3348 -8.0476 -8.0476 -7.9294 -7.9294 -7.2397 -7.2397 -7.1214 -7.1214 -6.9993 -6.9993 -5.5157 -5.5157 -4.5427 -4.5427 1.3809 1.3809 2.9042 2.9042 3.7328 3.7328 4.6916 4.6916 5.2948 5.2948 5.3180 5.3180 9.3246 9.3246 11.1416 11.1416 12.6968 12.6968 12.9464 12.9464 k = 0.6961-0.1768-0.5287 ( 5148 PWs) bands (ev): -44.4632 -44.4632 -16.5171 -16.5171 -16.3428 -16.3428 -16.3347 -16.3347 -8.0444 -8.0444 -7.9275 -7.9275 -7.2381 -7.2381 -7.1182 -7.1182 -7.0005 -7.0005 -5.5646 -5.5646 -4.5683 -4.5683 1.4303 1.4303 2.9611 2.9611 3.7744 3.7744 4.7411 4.7411 5.2909 5.2909 5.3288 5.3288 9.3513 9.3513 11.1722 11.1722 12.7115 12.7115 12.9299 12.9299 k = 0.6902-0.1672-0.5101 ( 5142 PWs) bands (ev): -44.4632 -44.4632 -16.5168 -16.5168 -16.3423 -16.3423 -16.3346 -16.3346 -8.0410 -8.0410 -7.9258 -7.9258 -7.2363 -7.2363 -7.1150 -7.1150 -7.0019 -7.0019 -5.6131 -5.6131 -4.5957 -4.5957 1.4805 1.4805 3.0224 3.0224 3.8158 3.8158 4.7859 4.7859 5.2838 5.2838 5.3476 5.3476 9.3792 9.3792 11.2062 11.2062 12.7231 12.7231 12.9082 12.9082 k = 0.6843-0.1575-0.4915 ( 5140 PWs) bands (ev): -44.4632 -44.4632 -16.5165 -16.5165 -16.3419 -16.3419 -16.3344 -16.3344 -8.0372 -8.0372 -7.9242 -7.9242 -7.2342 -7.2342 -7.1120 -7.1120 -7.0033 -7.0033 -5.6609 -5.6609 -4.6247 -4.6247 1.5311 1.5311 3.0879 3.0879 3.8573 3.8573 4.8249 4.8249 5.2789 5.2789 5.3701 5.3701 9.4083 9.4083 11.2431 11.2431 12.7257 12.7257 12.8783 12.8783 k = 0.6783-0.1479-0.4728 ( 5140 PWs) bands (ev): -44.4632 -44.4632 -16.5162 -16.5162 -16.3415 -16.3415 -16.3343 -16.3343 -8.0331 -8.0331 -7.9228 -7.9228 -7.2319 -7.2319 -7.1091 -7.1091 -7.0048 -7.0048 -5.7081 -5.7081 -4.6552 -4.6552 1.5817 1.5817 3.1573 3.1573 3.8991 3.8991 4.8568 4.8568 5.2784 5.2784 5.3957 5.3957 9.4383 9.4383 11.2823 11.2823 12.7084 12.7084 12.8492 12.8492 k = 0.6724-0.1382-0.4542 ( 5140 PWs) bands (ev): -44.4633 -44.4633 -16.5159 -16.5159 -16.3410 -16.3410 -16.3342 -16.3342 -8.0288 -8.0288 -7.9215 -7.9215 -7.2293 -7.2293 -7.1064 -7.1064 -7.0064 -7.0064 -5.7544 -5.7544 -4.6869 -4.6869 1.6320 1.6320 3.2303 3.2303 3.9415 3.9415 4.8802 4.8802 5.2839 5.2839 5.4239 5.4239 9.4691 9.4691 11.3231 11.3231 12.6646 12.6646 12.8316 12.8316 k = 0.6664-0.1286-0.4356 ( 5142 PWs) bands (ev): -44.4633 -44.4633 -16.5156 -16.5156 -16.3406 -16.3406 -16.3340 -16.3340 -8.0243 -8.0243 -7.9203 -7.9203 -7.2265 -7.2265 -7.1037 -7.1037 -7.0081 -7.0081 -5.7998 -5.7998 -4.7198 -4.7198 1.6817 1.6817 3.3066 3.3066 3.9849 3.9849 4.8948 4.8948 5.2962 5.2962 5.4542 5.4542 9.5006 9.5006 11.3646 11.3646 12.6034 12.6034 12.8193 12.8193 k = 0.6605-0.1189-0.4169 ( 5144 PWs) bands (ev): -44.4633 -44.4633 -16.5153 -16.5153 -16.3402 -16.3402 -16.3339 -16.3339 -8.0195 -8.0195 -7.9192 -7.9192 -7.2234 -7.2234 -7.1012 -7.1012 -7.0099 -7.0099 -5.8442 -5.8442 -4.7536 -4.7536 1.7303 1.7303 3.3858 3.3858 4.0296 4.0296 4.9009 4.9009 5.3152 5.3152 5.4865 5.4865 9.5324 9.5324 11.4059 11.4059 12.5353 12.5353 12.8030 12.8030 k = 0.6545-0.1093-0.3983 ( 5136 PWs) bands (ev): -44.4634 -44.4634 -16.5150 -16.5150 -16.3397 -16.3397 -16.3337 -16.3337 -8.0146 -8.0146 -7.9182 -7.9182 -7.2201 -7.2201 -7.0988 -7.0988 -7.0117 -7.0117 -5.8874 -5.8874 -4.7883 -4.7883 1.7775 1.7775 3.4673 3.4673 4.0761 4.0761 4.9001 4.9001 5.3397 5.3397 5.5202 5.5202 9.5645 9.5645 11.4456 11.4456 12.4662 12.4662 12.7780 12.7780 k = 0.6486-0.0996-0.3797 ( 5144 PWs) bands (ev): -44.4634 -44.4634 -16.5147 -16.5147 -16.3393 -16.3393 -16.3335 -16.3335 -8.0096 -8.0096 -7.9174 -7.9174 -7.2166 -7.2166 -7.0965 -7.0965 -7.0136 -7.0136 -5.9294 -5.9294 -4.8235 -4.8235 1.8230 1.8230 3.5508 3.5508 4.1246 4.1246 4.8942 4.8942 5.3682 5.3682 5.5551 5.5551 9.5963 9.5963 11.4822 11.4822 12.3994 12.3994 12.7438 12.7438 k = 0.6426-0.0900-0.3610 ( 5152 PWs) bands (ev): -44.4635 -44.4635 -16.5144 -16.5144 -16.3389 -16.3389 -16.3334 -16.3334 -8.0045 -8.0045 -7.9167 -7.9167 -7.2128 -7.2128 -7.0943 -7.0943 -7.0155 -7.0155 -5.9701 -5.9701 -4.8593 -4.8593 1.8665 1.8665 3.6355 3.6355 4.1754 4.1754 4.8853 4.8853 5.3994 5.3994 5.5908 5.5908 9.6277 9.6277 11.5132 11.5132 12.3377 12.3377 12.7015 12.7015 k = 0.6367-0.0803-0.3424 ( 5152 PWs) bands (ev): -44.4635 -44.4635 -16.5141 -16.5141 -16.3386 -16.3386 -16.3331 -16.3331 -7.9994 -7.9994 -7.9160 -7.9160 -7.2087 -7.2087 -7.0922 -7.0922 -7.0175 -7.0175 -6.0094 -6.0094 -4.8953 -4.8953 1.9078 1.9078 3.7206 3.7206 4.2289 4.2289 4.8752 4.8752 5.4320 5.4320 5.6269 5.6269 9.6581 9.6581 11.5358 11.5358 12.2843 12.2843 12.6534 12.6534 k = 0.6308-0.0707-0.3238 ( 5150 PWs) bands (ev): -44.4635 -44.4635 -16.5138 -16.5138 -16.3382 -16.3382 -16.3329 -16.3329 -7.9942 -7.9942 -7.9155 -7.9155 -7.2045 -7.2045 -7.0902 -7.0902 -7.0195 -7.0195 -6.0472 -6.0472 -4.9314 -4.9314 1.9466 1.9466 3.8053 3.8053 4.2851 4.2851 4.8657 4.8657 5.4650 5.4650 5.6631 5.6631 9.6870 9.6870 11.5464 11.5464 12.2424 12.2424 12.6015 12.6015 k = 0.6248-0.0610-0.3051 ( 5144 PWs) bands (ev): -44.4636 -44.4636 -16.5135 -16.5135 -16.3379 -16.3379 -16.3326 -16.3326 -7.9891 -7.9891 -7.9150 -7.9150 -7.2001 -7.2001 -7.0882 -7.0882 -7.0216 -7.0216 -6.0836 -6.0836 -4.9676 -4.9676 1.9829 1.9829 3.8881 3.8881 4.3443 4.3443 4.8585 4.8585 5.4980 5.4980 5.6989 5.6989 9.7140 9.7140 11.5416 11.5416 12.2151 12.2151 12.5482 12.5482 k = 0.6189-0.0514-0.2865 ( 5144 PWs) bands (ev): -44.4636 -44.4636 -16.5132 -16.5132 -16.3375 -16.3375 -16.3323 -16.3323 -7.9841 -7.9841 -7.9146 -7.9146 -7.1955 -7.1955 -7.0863 -7.0863 -7.0237 -7.0237 -6.1183 -6.1183 -5.0035 -5.0035 2.0164 2.0164 3.9677 3.9677 4.4065 4.4065 4.8553 4.8553 5.5303 5.5303 5.7341 5.7341 9.7383 9.7383 11.5194 11.5194 12.2040 12.2040 12.4953 12.4953 k = 0.6129-0.0417-0.2679 ( 5148 PWs) bands (ev): -44.4636 -44.4636 -16.5129 -16.5129 -16.3373 -16.3373 -16.3320 -16.3320 -7.9792 -7.9792 -7.9142 -7.9142 -7.1908 -7.1908 -7.0844 -7.0844 -7.0258 -7.0258 -6.1514 -6.1514 -5.0391 -5.0391 2.0471 2.0471 4.0420 4.0420 4.4716 4.4716 4.8584 4.8584 5.5619 5.5619 5.7684 5.7684 9.7592 9.7592 11.4803 11.4803 12.2077 12.2077 12.4450 12.4450 k = 0.6070-0.0321-0.2492 ( 5152 PWs) bands (ev): -44.4637 -44.4637 -16.5127 -16.5127 -16.3371 -16.3371 -16.3317 -16.3317 -7.9744 -7.9744 -7.9139 -7.9139 -7.1860 -7.1860 -7.0825 -7.0825 -7.0279 -7.0279 -6.1829 -6.1829 -5.0741 -5.0741 2.0751 2.0751 4.1088 4.1088 4.5394 4.5394 4.8697 4.8697 5.5924 5.5924 5.8015 5.8015 9.7759 9.7759 11.4268 11.4268 12.2223 12.2223 12.3999 12.3999 k = 0.6010-0.0224-0.2306 ( 5142 PWs) bands (ev): -44.4637 -44.4637 -16.5124 -16.5124 -16.3368 -16.3368 -16.3313 -16.3313 -7.9698 -7.9698 -7.9136 -7.9136 -7.1812 -7.1812 -7.0806 -7.0806 -7.0300 -7.0300 -6.2126 -6.2126 -5.1085 -5.1085 2.1004 2.1004 4.1660 4.1660 4.6098 4.6098 4.8914 4.8914 5.6218 5.6218 5.8331 5.8331 9.7878 9.7878 11.3621 11.3621 12.2411 12.2411 12.3645 12.3645 k = 0.5951-0.0128-0.2120 ( 5140 PWs) bands (ev): -44.4637 -44.4637 -16.5121 -16.5121 -16.3367 -16.3367 -16.3309 -16.3309 -7.9655 -7.9655 -7.9134 -7.9134 -7.1764 -7.1764 -7.0786 -7.0786 -7.0320 -7.0320 -6.2407 -6.2407 -5.1421 -5.1421 2.1231 2.1231 4.2118 4.2118 4.6825 4.6825 4.9247 4.9247 5.6502 5.6502 5.8630 5.8630 9.7942 9.7942 11.2890 11.2890 12.2512 12.2512 12.3496 12.3496 k = 0.5892-0.0031-0.1933 ( 5136 PWs) bands (ev): -44.4637 -44.4637 -16.5119 -16.5119 -16.3365 -16.3365 -16.3306 -16.3306 -7.9614 -7.9614 -7.9131 -7.9131 -7.1717 -7.1717 -7.0766 -7.0766 -7.0341 -7.0341 -6.2669 -6.2669 -5.1746 -5.1746 2.1433 2.1433 4.2457 4.2457 4.7571 4.7571 4.9698 4.9698 5.6776 5.6776 5.8910 5.8910 9.7946 9.7946 11.2098 11.2098 12.2426 12.2426 12.3637 12.3637 k = 0.5832 0.0065-0.1747 ( 5130 PWs) bands (ev): -44.4638 -44.4638 -16.5116 -16.5116 -16.3364 -16.3364 -16.3302 -16.3302 -7.9576 -7.9576 -7.9128 -7.9128 -7.1671 -7.1671 -7.0745 -7.0745 -7.0360 -7.0360 -6.2914 -6.2914 -5.2061 -5.2061 2.1612 2.1612 4.2686 4.2686 4.8331 4.8331 5.0252 5.0252 5.7040 5.7040 5.9169 5.9169 9.7885 9.7885 11.1265 11.1265 12.2262 12.2262 12.3945 12.3945 k = 0.5773 0.0162-0.1561 ( 5134 PWs) bands (ev): -44.4638 -44.4638 -16.5114 -16.5114 -16.3363 -16.3363 -16.3298 -16.3298 -7.9541 -7.9541 -7.9125 -7.9125 -7.1628 -7.1628 -7.0722 -7.0722 -7.0379 -7.0379 -6.3142 -6.3142 -5.2362 -5.2362 2.1769 2.1769 4.2822 4.2822 4.9101 4.9101 5.0886 5.0886 5.7298 5.7298 5.9405 5.9405 9.7760 9.7760 11.0404 11.0404 12.2120 12.2120 12.4306 12.4306 k = 0.5713 0.0258-0.1374 ( 5136 PWs) bands (ev): -44.4638 -44.4638 -16.5112 -16.5112 -16.3362 -16.3362 -16.3295 -16.3295 -7.9509 -7.9509 -7.9121 -7.9121 -7.1587 -7.1587 -7.0699 -7.0699 -7.0397 -7.0397 -6.3351 -6.3351 -5.2649 -5.2649 2.1906 2.1906 4.2888 4.2888 4.9875 4.9875 5.1570 5.1570 5.7551 5.7551 5.9617 5.9617 9.7573 9.7573 10.9529 10.9529 12.2033 12.2033 12.4673 12.4673 k = 0.5654 0.0355-0.1188 ( 5128 PWs) bands (ev): -44.4638 -44.4638 -16.5110 -16.5110 -16.3361 -16.3361 -16.3291 -16.3291 -7.9481 -7.9481 -7.9117 -7.9117 -7.1549 -7.1549 -7.0674 -7.0674 -7.0414 -7.0414 -6.3543 -6.3543 -5.2920 -5.2920 2.2025 2.2025 4.2902 4.2902 5.0644 5.0644 5.2275 5.2275 5.7804 5.7804 5.9804 5.9804 9.7329 9.7329 10.8651 10.8651 12.2004 12.2004 12.5022 12.5022 k = 0.5594 0.0451-0.1002 ( 5128 PWs) bands (ev): -44.4639 -44.4639 -16.5108 -16.5108 -16.3360 -16.3360 -16.3288 -16.3288 -7.9457 -7.9457 -7.9112 -7.9112 -7.1515 -7.1515 -7.0649 -7.0649 -7.0430 -7.0430 -6.3718 -6.3718 -5.3173 -5.3173 2.2126 2.2127 4.2883 4.2883 5.1400 5.1400 5.2975 5.2975 5.8058 5.8058 5.9964 5.9964 9.7039 9.7039 10.7783 10.7783 12.2028 12.2028 12.5331 12.5331 k = 0.5535 0.0548-0.0815 ( 5130 PWs) bands (ev): -44.4639 -44.4639 -16.5107 -16.5107 -16.3360 -16.3360 -16.3285 -16.3285 -7.9436 -7.9436 -7.9106 -7.9106 -7.1484 -7.1484 -7.0623 -7.0623 -7.0445 -7.0445 -6.3874 -6.3874 -5.3408 -5.3408 2.2213 2.2213 4.2842 4.2842 5.2135 5.2135 5.3647 5.3647 5.8319 5.8319 6.0097 6.0097 9.6712 9.6712 10.6937 10.6937 12.2094 12.2094 12.5572 12.5572 k = 0.5475 0.0644-0.0629 ( 5124 PWs) bands (ev): -44.4639 -44.4639 -16.5105 -16.5105 -16.3359 -16.3359 -16.3282 -16.3282 -7.9419 -7.9419 -7.9100 -7.9100 -7.1458 -7.1458 -7.0597 -7.0597 -7.0459 -7.0459 -6.4014 -6.4014 -5.3622 -5.3622 2.2287 2.2287 4.2789 4.2789 5.2837 5.2837 5.4272 5.4272 5.8588 5.8588 6.0202 6.0202 9.6364 9.6364 10.6128 10.6128 12.2186 12.2186 12.5716 12.5716 k = 0.5416 0.0741-0.0443 ( 5126 PWs) bands (ev): -44.4639 -44.4639 -16.5104 -16.5104 -16.3359 -16.3359 -16.3279 -16.3279 -7.9405 -7.9405 -7.9094 -7.9094 -7.1436 -7.1436 -7.0571 -7.0571 -7.0471 -7.0471 -6.4137 -6.4137 -5.3815 -5.3815 2.2348 2.2348 4.2731 4.2731 5.3496 5.3496 5.4835 5.4835 5.8867 5.8867 6.0281 6.0281 9.6008 9.6008 10.5367 10.5367 12.2288 12.2288 12.5751 12.5751 k = 0.5357 0.0837-0.0257 ( 5130 PWs) bands (ev): -44.4639 -44.4639 -16.5103 -16.5103 -16.3358 -16.3358 -16.3277 -16.3277 -7.9394 -7.9394 -7.9088 -7.9088 -7.1417 -7.1417 -7.0546 -7.0546 -7.0481 -7.0481 -6.4242 -6.4242 -5.3984 -5.3984 2.2399 2.2399 4.2673 4.2673 5.4099 5.4099 5.5327 5.5327 5.9150 5.9150 6.0333 6.0333 9.5660 9.5660 10.4671 10.4671 12.2383 12.2383 12.5714 12.5714 k = 0.5297 0.0934-0.0070 ( 5134 PWs) bands (ev): -44.4639 -44.4639 -16.5102 -16.5102 -16.3358 -16.3358 -16.3276 -16.3276 -7.9385 -7.9385 -7.9082 -7.9082 -7.1402 -7.1402 -7.0524 -7.0524 -7.0490 -7.0490 -6.4331 -6.4331 -5.4130 -5.4130 2.2440 2.2440 4.2618 4.2618 5.4629 5.4629 5.5749 5.5749 5.9425 5.9425 6.0364 6.0364 9.5336 9.5336 10.4051 10.4051 12.2459 12.2459 12.5661 12.5661 k = 0.5238 0.1030 0.0116 ( 5130 PWs) bands (ev): -44.4639 -44.4639 -16.5101 -16.5101 -16.3358 -16.3358 -16.3274 -16.3274 -7.9379 -7.9379 -7.9076 -7.9076 -7.1390 -7.1390 -7.0504 -7.0504 -7.0497 -7.0497 -6.4404 -6.4404 -5.4251 -5.4251 2.2472 2.2472 4.2571 4.2571 5.5072 5.5072 5.6104 5.6104 5.9675 5.9675 6.0381 6.0381 9.5048 9.5048 10.3523 10.3523 12.2511 12.2511 12.5623 12.5623 k = 0.5178 0.1127 0.0302 ( 5124 PWs) bands (ev): -44.4639 -44.4639 -16.5101 -16.5101 -16.3357 -16.3357 -16.3272 -16.3272 -7.9374 -7.9374 -7.9072 -7.9072 -7.1382 -7.1382 -7.0503 -7.0503 -7.0488 -7.0488 -6.4460 -6.4460 -5.4345 -5.4345 2.2496 2.2496 4.2532 4.2532 5.5415 5.5415 5.6397 5.6397 5.9874 5.9874 6.0397 6.0397 9.4809 9.4809 10.3097 10.3097 12.2539 12.2539 12.5610 12.5610 k = 0.5119 0.1223 0.0489 ( 5122 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9371 -7.9371 -7.9069 -7.9069 -7.1375 -7.1375 -7.0507 -7.0507 -7.0476 -7.0476 -6.4500 -6.4500 -5.4414 -5.4414 2.2513 2.2513 4.2503 4.2503 5.5653 5.5653 5.6623 5.6623 6.0001 6.0001 6.0427 6.0427 9.4631 9.4631 10.2785 10.2785 12.2551 12.2551 12.5612 12.5612 k = 0.5059 0.1320 0.0675 ( 5118 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9067 -7.9067 -7.1372 -7.1372 -7.0510 -7.0510 -7.0469 -7.0469 -6.4524 -6.4524 -5.4455 -5.4455 2.2523 2.2523 4.2485 4.2485 5.5791 5.5791 5.6769 5.6769 6.0058 6.0058 6.0464 6.0464 9.4521 9.4521 10.2594 10.2594 12.2554 12.2554 12.5620 12.5620 k = 0.5000 0.1416 0.0861 ( 5114 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3270 -16.3270 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0510 -7.0510 -7.0466 -7.0466 -6.4532 -6.4532 -5.4469 -5.4469 2.2526 2.2526 4.2479 4.2479 5.5837 5.5837 5.6819 5.6819 6.0071 6.0071 6.0482 6.0482 9.4484 9.4484 10.2530 10.2530 12.2555 12.2555 12.5624 12.5624 k = 0.5000 0.1416 0.0861 ( 5114 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3270 -16.3270 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0510 -7.0510 -7.0466 -7.0466 -6.4532 -6.4532 -5.4469 -5.4469 2.2526 2.2526 4.2479 4.2479 5.5837 5.5837 5.6819 5.6819 6.0071 6.0071 6.0482 6.0482 9.4484 9.4484 10.2530 10.2530 12.2555 12.2555 12.5624 12.5624 k = 0.4792 0.1357 0.0826 ( 5120 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0511 -7.0511 -7.0466 -7.0466 -6.4537 -6.4537 -5.4460 -5.4460 2.2483 2.2483 4.2544 4.2544 5.5839 5.5839 5.6822 5.6822 6.0068 6.0068 6.0479 6.0479 9.4436 9.4436 10.2526 10.2526 12.2552 12.2552 12.5620 12.5620 k = 0.4583 0.1298 0.0790 ( 5120 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0511 -7.0511 -7.0466 -7.0466 -6.4553 -6.4553 -5.4435 -5.4435 2.2354 2.2354 4.2736 4.2736 5.5848 5.5848 5.6830 5.6830 6.0060 6.0060 6.0471 6.0471 9.4295 9.4295 10.2512 10.2512 12.2543 12.2543 12.5610 12.5610 k = 0.4375 0.1239 0.0754 ( 5147 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0511 -7.0511 -7.0466 -7.0466 -6.4579 -6.4579 -5.4394 -5.4394 2.2145 2.2145 4.3049 4.3049 5.5862 5.5862 5.6844 5.6844 6.0045 6.0045 6.0457 6.0457 9.4063 9.4063 10.2491 10.2491 12.2529 12.2529 12.5593 12.5593 k = 0.4167 0.1180 0.0718 ( 5150 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0511 -7.0511 -7.0466 -7.0466 -6.4615 -6.4615 -5.4337 -5.4337 2.1867 2.1867 4.3472 4.3472 5.5882 5.5882 5.6863 5.6863 6.0026 6.0026 6.0438 6.0438 9.3743 9.3743 10.2460 10.2460 12.2509 12.2509 12.5570 12.5570 k = 0.3958 0.1121 0.0682 ( 5153 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0512 -7.0512 -7.0466 -7.0466 -6.4659 -6.4659 -5.4267 -5.4267 2.1530 2.1530 4.3995 4.3995 5.5908 5.5908 5.6887 5.6887 6.0001 6.0001 6.0414 6.0414 9.3341 9.3341 10.2422 10.2422 12.2485 12.2485 12.5541 12.5541 k = 0.3750 0.1062 0.0646 ( 5156 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3359 -16.3359 -16.3271 -16.3271 -7.9368 -7.9368 -7.9066 -7.9066 -7.1372 -7.1372 -7.0512 -7.0512 -7.0466 -7.0466 -6.4711 -6.4711 -5.4184 -5.4184 2.1146 2.1146 4.4604 4.4604 5.5938 5.5938 5.6916 5.6916 5.9971 5.9971 6.0385 6.0385 9.2864 9.2864 10.2376 10.2376 12.2456 12.2456 12.5507 12.5507 k = 0.3542 0.1003 0.0610 ( 5168 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3359 -16.3359 -16.3272 -16.3272 -7.9369 -7.9369 -7.9066 -7.9066 -7.1372 -7.1372 -7.0513 -7.0513 -7.0466 -7.0466 -6.4769 -6.4769 -5.4090 -5.4090 2.0727 2.0727 4.5286 4.5286 5.5974 5.5974 5.6950 5.6950 5.9936 5.9936 6.0351 6.0351 9.2318 9.2318 10.2323 10.2323 12.2423 12.2423 12.5468 12.5468 k = 0.3333 0.0944 0.0574 ( 5168 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3359 -16.3359 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1372 -7.1372 -7.0514 -7.0514 -7.0466 -7.0466 -6.4832 -6.4832 -5.3988 -5.3988 2.0285 2.0285 4.6028 4.6028 5.6014 5.6014 5.6988 5.6988 5.9897 5.9897 6.0313 6.0313 9.1711 9.1711 10.2264 10.2264 12.2387 12.2387 12.5426 12.5426 k = 0.3125 0.0885 0.0538 ( 5156 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1373 -7.1373 -7.0514 -7.0514 -7.0466 -7.0466 -6.4899 -6.4899 -5.3878 -5.3878 1.9829 1.9829 4.6818 4.6818 5.6059 5.6059 5.7030 5.7030 5.9854 5.9854 6.0271 6.0271 9.1051 9.1051 10.2201 10.2201 12.2349 12.2349 12.5380 12.5380 k = 0.2917 0.0826 0.0503 ( 5168 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3359 -16.3359 -16.3272 -16.3272 -7.9369 -7.9369 -7.9066 -7.9066 -7.1373 -7.1373 -7.0515 -7.0515 -7.0466 -7.0466 -6.4969 -6.4969 -5.3763 -5.3763 1.9368 1.9368 4.7643 4.7643 5.6107 5.6107 5.7076 5.7076 5.9807 5.9807 6.0226 6.0226 9.0349 9.0349 10.2134 10.2134 12.2308 12.2308 12.5333 12.5333 k = 0.2708 0.0767 0.0467 ( 5168 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3272 -16.3272 -7.9369 -7.9369 -7.9066 -7.9066 -7.1374 -7.1374 -7.0516 -7.0516 -7.0466 -7.0466 -6.5039 -6.5039 -5.3645 -5.3645 1.8912 1.8912 4.8493 4.8493 5.6160 5.6160 5.7125 5.7125 5.9757 5.9757 6.0177 6.0177 8.9612 8.9612 10.2064 10.2064 12.2267 12.2267 12.5284 12.5284 k = 0.2500 0.0708 0.0431 ( 5168 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3272 -16.3272 -7.9369 -7.9369 -7.9066 -7.9066 -7.1374 -7.1374 -7.0517 -7.0517 -7.0467 -7.0467 -6.5110 -6.5110 -5.3527 -5.3527 1.8466 1.8466 4.9357 4.9357 5.6215 5.6215 5.7177 5.7177 5.9705 5.9705 6.0126 6.0126 8.8850 8.8850 10.1993 10.1993 12.2225 12.2225 12.5234 12.5234 k = 0.2292 0.0649 0.0395 ( 5169 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3272 -16.3272 -7.9369 -7.9369 -7.9066 -7.9066 -7.1375 -7.1375 -7.0518 -7.0518 -7.0467 -7.0467 -6.5179 -6.5179 -5.3410 -5.3410 1.8036 1.8036 5.0222 5.0222 5.6274 5.6274 5.7230 5.7230 5.9652 5.9652 6.0073 6.0073 8.8074 8.8074 10.1923 10.1923 12.2183 12.2183 12.5185 12.5185 k = 0.2083 0.0590 0.0359 ( 5142 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1375 -7.1375 -7.0518 -7.0518 -7.0467 -7.0467 -6.5246 -6.5246 -5.3295 -5.3295 1.7629 1.7629 5.1079 5.1079 5.6336 5.6336 5.7284 5.7284 5.9598 5.9598 6.0019 6.0019 8.7295 8.7295 10.1854 10.1854 12.2143 12.2143 12.5137 12.5137 k = 0.1875 0.0531 0.0323 ( 5148 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1375 -7.1375 -7.0519 -7.0519 -7.0467 -7.0467 -6.5309 -6.5309 -5.3186 -5.3186 1.7248 1.7248 5.1914 5.1914 5.6401 5.6401 5.7339 5.7339 5.9544 5.9544 5.9964 5.9964 8.6524 8.6524 10.1788 10.1788 12.2104 12.2104 12.5092 12.5092 k = 0.1667 0.0472 0.0287 ( 5136 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3270 -16.3270 -7.9369 -7.9369 -7.9066 -7.9066 -7.1376 -7.1376 -7.0520 -7.0520 -7.0467 -7.0467 -6.5368 -6.5368 -5.3083 -5.3083 1.6898 1.6898 5.2714 5.2714 5.6468 5.6468 5.7393 5.7393 5.9491 5.9491 5.9910 5.9910 8.5773 8.5773 10.1725 10.1725 12.2067 12.2067 12.5048 12.5048 k = 0.1458 0.0413 0.0251 ( 5142 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1376 -7.1376 -7.0521 -7.0521 -7.0467 -7.0467 -6.5422 -6.5422 -5.2988 -5.2988 1.6581 1.6581 5.3463 5.3463 5.6541 5.6541 5.7445 5.7445 5.9440 5.9440 5.9858 5.9858 8.5057 8.5057 10.1668 10.1668 12.2034 12.2034 12.5009 12.5009 k = 0.1250 0.0354 0.0215 ( 5130 PWs) bands (ev): -44.4640 -44.4640 -16.5099 -16.5099 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1377 -7.1377 -7.0522 -7.0522 -7.0467 -7.0467 -6.5470 -6.5470 -5.2903 -5.2903 1.6302 1.6302 5.4145 5.4145 5.6620 5.6620 5.7495 5.7495 5.9393 5.9393 5.9809 5.9809 8.4390 8.4390 10.1616 10.1616 12.2003 12.2003 12.4973 12.4973 k = 0.1042 0.0295 0.0179 ( 5130 PWs) bands (ev): -44.4640 -44.4640 -16.5099 -16.5099 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1377 -7.1377 -7.0522 -7.0522 -7.0467 -7.0467 -6.5512 -6.5512 -5.2828 -5.2828 1.6061 1.6061 5.4739 5.4739 5.6710 5.6710 5.7540 5.7540 5.9350 5.9350 5.9764 5.9764 8.3787 8.3787 10.1571 10.1571 12.1977 12.1977 12.4942 12.4942 k = 0.0833 0.0236 0.0144 ( 5139 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1377 -7.1377 -7.0523 -7.0523 -7.0467 -7.0467 -6.5547 -6.5547 -5.2766 -5.2766 1.5861 1.5861 5.5225 5.5225 5.6815 5.6815 5.7579 5.7579 5.9313 5.9313 5.9725 5.9725 8.3264 8.3264 10.1533 10.1533 12.1955 12.1955 12.4916 12.4916 k = 0.0625 0.0177 0.0108 ( 5142 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1377 -7.1377 -7.0523 -7.0523 -7.0467 -7.0467 -6.5574 -6.5574 -5.2717 -5.2717 1.5704 1.5704 5.5585 5.5585 5.6936 5.6936 5.7611 5.7611 5.9282 5.9282 5.9693 5.9693 8.2837 8.2837 10.1503 10.1503 12.1937 12.1937 12.4895 12.4895 k = 0.0417 0.0118 0.0072 ( 5145 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1378 -7.1378 -7.0523 -7.0523 -7.0467 -7.0467 -6.5594 -6.5594 -5.2681 -5.2681 1.5591 1.5591 5.5819 5.5819 5.7058 5.7058 5.7636 5.7636 5.9260 5.9260 5.9668 5.9668 8.2520 8.2520 10.1481 10.1481 12.1924 12.1924 12.4880 12.4880 k = 0.0208 0.0059 0.0036 ( 5151 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1378 -7.1378 -7.0524 -7.0524 -7.0467 -7.0467 -6.5606 -6.5606 -5.2659 -5.2659 1.5523 1.5523 5.5945 5.5945 5.7151 5.7151 5.7651 5.7651 5.9246 5.9246 5.9653 5.9653 8.2324 8.2324 10.1468 10.1468 12.1917 12.1917 12.4871 12.4871 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1378 -7.1378 -7.0524 -7.0524 -7.0467 -7.0467 -6.5610 -6.5610 -5.2652 -5.2652 1.5501 1.5501 5.5985 5.5985 5.7186 5.7186 5.7656 5.7656 5.9241 5.9241 5.9648 5.9648 8.2258 8.2258 10.1463 10.1463 12.1914 12.1914 12.4868 12.4868 k = 0.0000 0.0000 0.0000 ( 5157 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9066 -7.9066 -7.1378 -7.1378 -7.0524 -7.0524 -7.0467 -7.0467 -6.5610 -6.5610 -5.2652 -5.2652 1.5501 1.5501 5.5985 5.5985 5.7186 5.7186 5.7656 5.7656 5.9241 5.9241 5.9648 5.9648 8.2258 8.2258 10.1463 10.1463 12.1914 12.1914 12.4868 12.4868 k = 0.0060-0.0098-0.0188 ( 5157 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9369 -7.9369 -7.9067 -7.9067 -7.1379 -7.1379 -7.0523 -7.0523 -7.0469 -7.0469 -6.5602 -6.5602 -5.2639 -5.2639 1.5507 1.5507 5.5954 5.5954 5.7144 5.7144 5.7568 5.7568 5.9244 5.9244 5.9637 5.9637 8.2340 8.2340 10.1528 10.1528 12.1879 12.1879 12.4821 12.4821 k = 0.0120-0.0195-0.0377 ( 5147 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3358 -16.3358 -16.3271 -16.3271 -7.9371 -7.9371 -7.9069 -7.9069 -7.1382 -7.1382 -7.0520 -7.0520 -7.0476 -7.0476 -6.5576 -6.5576 -5.2600 -5.2600 1.5525 1.5525 5.5844 5.5844 5.7013 5.7013 5.7349 5.7349 5.9226 5.9226 5.9614 5.9614 8.2582 8.2582 10.1721 10.1721 12.1762 12.1762 12.4707 12.4707 k = 0.0180-0.0293-0.0565 ( 5141 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3357 -16.3357 -16.3272 -16.3272 -7.9374 -7.9374 -7.9072 -7.9072 -7.1387 -7.1387 -7.0515 -7.0515 -7.0488 -7.0488 -6.5534 -6.5534 -5.2536 -5.2536 1.5555 1.5555 5.5604 5.5604 5.6775 5.6775 5.7100 5.7100 5.9152 5.9152 5.9596 5.9596 8.2974 8.2974 10.2037 10.2037 12.1530 12.1530 12.4590 12.4590 k = 0.0240-0.0390-0.0753 ( 5145 PWs) bands (ev): -44.4640 -44.4640 -16.5101 -16.5101 -16.3358 -16.3358 -16.3274 -16.3274 -7.9379 -7.9379 -7.9076 -7.9076 -7.1395 -7.1395 -7.0509 -7.0509 -7.0503 -7.0503 -6.5475 -6.5475 -5.2447 -5.2447 1.5598 1.5598 5.5174 5.5174 5.6430 5.6430 5.6909 5.6909 5.9026 5.9026 5.9574 5.9574 8.3498 8.3498 10.2467 10.2467 12.1151 12.1151 12.4541 12.4541 k = 0.0300-0.0488-0.0942 ( 5155 PWs) bands (ev): -44.4640 -44.4640 -16.5102 -16.5102 -16.3358 -16.3358 -16.3276 -16.3276 -7.9385 -7.9385 -7.9081 -7.9081 -7.1406 -7.1406 -7.0523 -7.0523 -7.0500 -7.0500 -6.5398 -6.5398 -5.2333 -5.2333 1.5651 1.5651 5.4550 5.4550 5.5987 5.5987 5.6789 5.6789 5.8875 5.8875 5.9529 5.9529 8.4137 8.4137 10.3000 10.3000 12.0623 12.0623 12.4600 12.4600 k = 0.0361-0.0585-0.1130 ( 5151 PWs) bands (ev): -44.4639 -44.4639 -16.5103 -16.5103 -16.3358 -16.3358 -16.3278 -16.3278 -7.9394 -7.9394 -7.9087 -7.9087 -7.1419 -7.1419 -7.0544 -7.0544 -7.0490 -7.0490 -6.5304 -6.5304 -5.2196 -5.2196 1.5716 1.5716 5.3778 5.3778 5.5440 5.5440 5.6718 5.6718 5.8719 5.8719 5.9454 5.9454 8.4870 8.4870 10.3625 10.3625 11.9974 11.9974 12.4768 12.4768 k = 0.0421-0.0683-0.1319 ( 5151 PWs) bands (ev): -44.4639 -44.4639 -16.5104 -16.5104 -16.3358 -16.3358 -16.3280 -16.3280 -7.9405 -7.9405 -7.9093 -7.9093 -7.1436 -7.1436 -7.0568 -7.0568 -7.0478 -7.0478 -6.5192 -6.5192 -5.2037 -5.2037 1.5791 1.5791 5.2901 5.2901 5.4793 5.4793 5.6669 5.6669 5.8569 5.8569 5.9344 5.9344 8.5676 8.5676 10.4328 10.4328 11.9244 11.9244 12.5034 12.5034 k = 0.0481-0.0780-0.1507 ( 5149 PWs) bands (ev): -44.4639 -44.4639 -16.5106 -16.5106 -16.3359 -16.3359 -16.3283 -16.3283 -7.9418 -7.9418 -7.9099 -7.9099 -7.1457 -7.1457 -7.0594 -7.0594 -7.0465 -7.0465 -6.5061 -6.5061 -5.1856 -5.1856 1.5875 1.5875 5.1949 5.1949 5.4056 5.4056 5.6624 5.6624 5.8431 5.8431 5.9201 5.9201 8.6537 8.6537 10.5094 10.5094 11.8466 11.8466 12.5383 12.5383 k = 0.0541-0.0878-0.1695 ( 5147 PWs) bands (ev): -44.4639 -44.4639 -16.5107 -16.5107 -16.3359 -16.3359 -16.3285 -16.3285 -7.9435 -7.9435 -7.9105 -7.9105 -7.1481 -7.1481 -7.0620 -7.0620 -7.0450 -7.0450 -6.4913 -6.4913 -5.1654 -5.1654 1.5968 1.5968 5.0944 5.0944 5.3243 5.3243 5.6566 5.6566 5.8311 5.8311 5.9025 5.9025 8.7436 8.7436 10.5911 10.5911 11.7668 11.7668 12.5803 12.5803 k = 0.0601-0.0976-0.1884 ( 5149 PWs) bands (ev): -44.4639 -44.4639 -16.5109 -16.5109 -16.3360 -16.3360 -16.3289 -16.3289 -7.9456 -7.9456 -7.9111 -7.9111 -7.1509 -7.1509 -7.0646 -7.0646 -7.0434 -7.0434 -6.4746 -6.4746 -5.1434 -5.1434 1.6068 1.6068 4.9901 4.9901 5.2366 5.2366 5.6485 5.6485 5.8214 5.8214 5.8817 5.8817 8.8357 8.8357 10.6763 10.6763 11.6872 11.6872 12.6285 12.6285 k = 0.0661-0.1073-0.2072 ( 5153 PWs) bands (ev): -44.4638 -44.4638 -16.5111 -16.5111 -16.3361 -16.3361 -16.3292 -16.3292 -7.9479 -7.9479 -7.9115 -7.9115 -7.1542 -7.1542 -7.0672 -7.0672 -7.0416 -7.0416 -6.4560 -6.4560 -5.1196 -5.1196 1.6175 1.6175 4.8832 4.8832 5.1438 5.1438 5.6368 5.6368 5.8144 5.8144 5.8580 5.8580 8.9286 8.9286 10.7637 10.7637 11.6097 11.6097 12.6820 12.6820 k = 0.0721-0.1171-0.2260 ( 5149 PWs) bands (ev): -44.4638 -44.4638 -16.5112 -16.5112 -16.3361 -16.3361 -16.3295 -16.3295 -7.9507 -7.9507 -7.9120 -7.9120 -7.1577 -7.1577 -7.0697 -7.0697 -7.0398 -7.0398 -6.4355 -6.4355 -5.0942 -5.0942 1.6286 1.6286 4.7749 4.7749 5.0469 5.0469 5.6211 5.6211 5.8097 5.8097 5.8322 5.8322 9.0210 9.0210 10.8520 10.8520 11.5362 11.5362 12.7401 12.7401 k = 0.0781-0.1268-0.2449 ( 5143 PWs) bands (ev): -44.4638 -44.4638 -16.5114 -16.5114 -16.3362 -16.3362 -16.3299 -16.3299 -7.9538 -7.9538 -7.9123 -7.9123 -7.1617 -7.1617 -7.0721 -7.0721 -7.0378 -7.0378 -6.4131 -6.4131 -5.0674 -5.0674 1.6401 1.6401 4.6660 4.6660 4.9470 4.9470 5.6011 5.6011 5.7966 5.7966 5.8147 5.8147 9.1116 9.1116 10.9396 10.9396 11.4685 11.4685 12.8016 12.8016 k = 0.0841-0.1366-0.2637 ( 5141 PWs) bands (ev): -44.4638 -44.4638 -16.5117 -16.5117 -16.3363 -16.3363 -16.3303 -16.3303 -7.9573 -7.9573 -7.9127 -7.9127 -7.1659 -7.1659 -7.0744 -7.0744 -7.0358 -7.0358 -6.3888 -6.3888 -5.0392 -5.0392 1.6516 1.6516 4.5574 4.5574 4.8448 4.8448 5.5770 5.5770 5.7660 5.7660 5.8145 5.8145 9.1992 9.1992 11.0242 11.0242 11.4096 11.4096 12.8656 12.8656 k = 0.0901-0.1463-0.2825 ( 5141 PWs) bands (ev): -44.4637 -44.4637 -16.5119 -16.5119 -16.3364 -16.3364 -16.3306 -16.3306 -7.9610 -7.9610 -7.9130 -7.9130 -7.1703 -7.1703 -7.0767 -7.0767 -7.0338 -7.0338 -6.3626 -6.3626 -5.0098 -5.0098 1.6630 1.6630 4.4498 4.4498 4.7412 4.7412 5.5491 5.5491 5.7307 5.7307 5.8181 5.8181 9.2826 9.2826 11.1006 11.1006 11.3649 11.3649 12.9308 12.9308 k = 0.0961-0.1561-0.3014 ( 5141 PWs) bands (ev): -44.4637 -44.4637 -16.5121 -16.5121 -16.3366 -16.3366 -16.3310 -16.3310 -7.9651 -7.9651 -7.9133 -7.9133 -7.1749 -7.1749 -7.0788 -7.0788 -7.0316 -7.0316 -6.3345 -6.3345 -4.9795 -4.9795 1.6740 1.6740 4.3438 4.3438 4.6368 4.6368 5.5178 5.5178 5.6925 5.6925 5.8235 5.8235 9.3606 9.3606 11.1559 11.1559 11.3482 11.3482 12.9956 12.9956 k = 0.1021-0.1658-0.3202 ( 5135 PWs) bands (ev): -44.4637 -44.4637 -16.5124 -16.5124 -16.3368 -16.3368 -16.3314 -16.3314 -7.9694 -7.9694 -7.9135 -7.9135 -7.1796 -7.1796 -7.0809 -7.0809 -7.0295 -7.0295 -6.3045 -6.3045 -4.9483 -4.9483 1.6844 1.6844 4.2402 4.2402 4.5323 4.5323 5.4833 5.4833 5.6516 5.6516 5.8300 5.8300 9.4322 9.4322 11.1725 11.1725 11.3779 11.3779 13.0585 13.0585 k = 0.1082-0.1756-0.3391 ( 5139 PWs) bands (ev): -44.4636 -44.4636 -16.5127 -16.5127 -16.3370 -16.3370 -16.3317 -16.3317 -7.9740 -7.9740 -7.9138 -7.9138 -7.1843 -7.1843 -7.0829 -7.0829 -7.0274 -7.0274 -6.2727 -6.2727 -4.9164 -4.9164 1.6937 1.6937 4.1395 4.1395 4.4281 4.4281 5.4459 5.4459 5.6082 5.6082 5.8372 5.8372 9.4962 9.4962 11.1641 11.1641 11.4410 11.4410 13.1178 13.1178 k = 0.1142-0.1854-0.3579 ( 5137 PWs) bands (ev): -44.4636 -44.4636 -16.5129 -16.5129 -16.3372 -16.3372 -16.3321 -16.3321 -7.9787 -7.9787 -7.9142 -7.9142 -7.1890 -7.1890 -7.0850 -7.0850 -7.0252 -7.0252 -6.2390 -6.2390 -4.8841 -4.8841 1.7016 1.7016 4.0423 4.0423 4.3247 4.3247 5.4057 5.4057 5.5625 5.5625 5.8447 5.8447 9.5518 9.5518 11.1531 11.1531 11.5157 11.5157 13.1720 13.1720 k = 0.1202-0.1951-0.3767 ( 5135 PWs) bands (ev): -44.4636 -44.4636 -16.5132 -16.5132 -16.3375 -16.3375 -16.3323 -16.3323 -7.9836 -7.9836 -7.9146 -7.9146 -7.1937 -7.1937 -7.0870 -7.0870 -7.0231 -7.0231 -6.2036 -6.2036 -4.8513 -4.8513 1.7078 1.7078 3.9492 3.9492 4.2226 4.2226 5.3630 5.3630 5.5147 5.5147 5.8524 5.8524 9.5984 9.5984 11.1484 11.1484 11.5936 11.5936 13.2198 13.2198 k = 0.1262-0.2049-0.3956 ( 5127 PWs) bands (ev): -44.4635 -44.4635 -16.5135 -16.5135 -16.3378 -16.3378 -16.3326 -16.3326 -7.9886 -7.9886 -7.9150 -7.9150 -7.1982 -7.1982 -7.0890 -7.0890 -7.0210 -7.0210 -6.1664 -6.1664 -4.8184 -4.8184 1.7117 1.7117 3.8609 3.8609 4.1223 4.1223 5.3178 5.3178 5.4649 5.4649 5.8599 5.8599 9.6356 9.6356 11.1529 11.1529 11.6718 11.6718 13.2603 13.2603 k = 0.1322-0.2146-0.4144 ( 5129 PWs) bands (ev): -44.4635 -44.4635 -16.5138 -16.5138 -16.3382 -16.3382 -16.3329 -16.3329 -7.9937 -7.9937 -7.9155 -7.9155 -7.2026 -7.2026 -7.0911 -7.0911 -7.0189 -7.0189 -6.1275 -6.1275 -4.7855 -4.7855 1.7130 1.7130 3.7777 3.7777 4.0240 4.0240 5.2702 5.2702 5.4135 5.4135 5.8671 5.8671 9.6636 9.6636 11.1674 11.1674 11.7493 11.7493 13.2931 13.2931 k = 0.1382-0.2244-0.4332 ( 5129 PWs) bands (ev): -44.4635 -44.4635 -16.5141 -16.5141 -16.3385 -16.3385 -16.3331 -16.3331 -7.9989 -7.9989 -7.9161 -7.9161 -7.2069 -7.2069 -7.0933 -7.0933 -7.0169 -7.0169 -6.0870 -6.0870 -4.7527 -4.7527 1.7113 1.7113 3.7003 3.7003 3.9281 3.9281 5.2204 5.2204 5.3607 5.3607 5.8738 5.8738 9.6830 9.6830 11.1917 11.1917 11.8256 11.8256 13.3185 13.3185 k = 0.1442-0.2341-0.4521 ( 5123 PWs) bands (ev): -44.4634 -44.4634 -16.5144 -16.5144 -16.3389 -16.3389 -16.3333 -16.3333 -8.0040 -8.0040 -7.9168 -7.9168 -7.2109 -7.2109 -7.0955 -7.0955 -7.0149 -7.0149 -6.0450 -6.0450 -4.7202 -4.7202 1.7060 1.7060 3.6290 3.6290 3.8350 3.8350 5.1684 5.1684 5.3068 5.3068 5.8797 5.8797 9.6948 9.6948 11.2247 11.2247 11.9006 11.9006 13.3373 13.3373 k = 0.1502-0.2439-0.4709 ( 5127 PWs) bands (ev): -44.4634 -44.4634 -16.5147 -16.5147 -16.3394 -16.3394 -16.3335 -16.3335 -8.0091 -8.0091 -7.9176 -7.9176 -7.2147 -7.2147 -7.0978 -7.0978 -7.0129 -7.0129 -6.0016 -6.0016 -4.6883 -4.6883 1.6968 1.6968 3.5643 3.5643 3.7450 3.7450 5.1144 5.1144 5.2522 5.2522 5.8847 5.8847 9.6999 9.6999 11.2653 11.2653 11.9739 11.9739 13.3505 13.3505 k = 0.1562-0.2536-0.4898 ( 5119 PWs) bands (ev): -44.4634 -44.4634 -16.5150 -16.5150 -16.3398 -16.3398 -16.3337 -16.3337 -8.0141 -8.0141 -7.9185 -7.9185 -7.2183 -7.2183 -7.1002 -7.1002 -7.0111 -7.0111 -5.9567 -5.9567 -4.6569 -4.6569 1.6835 1.6835 3.5062 3.5062 3.6584 3.6584 5.0585 5.0585 5.1973 5.1973 5.8886 5.8886 9.6997 9.6997 11.3121 11.3121 12.0456 12.0456 13.3591 13.3591 k = 0.1622-0.2634-0.5086 ( 5115 PWs) bands (ev): -44.4633 -44.4633 -16.5153 -16.5153 -16.3402 -16.3402 -16.3338 -16.3338 -8.0190 -8.0190 -7.9196 -7.9196 -7.2217 -7.2217 -7.1027 -7.1027 -7.0093 -7.0093 -5.9106 -5.9106 -4.6264 -4.6264 1.6659 1.6659 3.4547 3.4547 3.5756 3.5756 5.0007 5.0007 5.1424 5.1424 5.8914 5.8914 9.6953 9.6953 11.3637 11.3637 12.1156 12.1156 13.3639 13.3639 k = 0.1682-0.2732-0.5274 ( 5119 PWs) bands (ev): -44.4633 -44.4633 -16.5156 -16.5156 -16.3407 -16.3407 -16.3340 -16.3340 -8.0237 -8.0237 -7.9207 -7.9207 -7.2248 -7.2248 -7.1053 -7.1053 -7.0075 -7.0075 -5.8632 -5.8632 -4.5969 -4.5969 1.6439 1.6439 3.4093 3.4093 3.4973 3.4973 4.9413 4.9413 5.0882 5.0882 5.8929 5.8929 9.6876 9.6876 11.4188 11.4188 12.1837 12.1837 13.3658 13.3658 k = 0.1743-0.2829-0.5463 ( 5119 PWs) bands (ev): -44.4632 -44.4632 -16.5159 -16.5159 -16.3411 -16.3411 -16.3341 -16.3341 -8.0283 -8.0283 -7.9219 -7.9219 -7.2277 -7.2277 -7.1081 -7.1081 -7.0059 -7.0059 -5.8148 -5.8148 -4.5686 -4.5686 1.6177 1.6177 3.3685 3.3685 3.4250 3.4250 4.8803 4.8803 5.0350 5.0350 5.8929 5.8929 9.6775 9.6775 11.4762 11.4762 12.2500 12.2500 13.3656 13.3656 k = 0.1803-0.2927-0.5651 ( 5119 PWs) bands (ev): -44.4632 -44.4632 -16.5162 -16.5162 -16.3416 -16.3416 -16.3342 -16.3342 -8.0326 -8.0326 -7.9233 -7.9233 -7.2303 -7.2303 -7.1109 -7.1109 -7.0043 -7.0043 -5.7654 -5.7654 -4.5415 -4.5415 1.5876 1.5876 3.3258 3.3258 3.3648 3.3648 4.8179 4.8179 4.9835 4.9835 5.8913 5.8913 9.6657 9.6657 11.5347 11.5347 12.3144 12.3144 13.3641 13.3641 k = 0.1863-0.3024-0.5839 ( 5115 PWs) bands (ev): -44.4632 -44.4632 -16.5165 -16.5165 -16.3420 -16.3420 -16.3343 -16.3343 -8.0367 -8.0367 -7.9248 -7.9248 -7.2327 -7.2327 -7.1139 -7.1139 -7.0028 -7.0028 -5.7151 -5.7151 -4.5160 -4.5160 1.5540 1.5540 3.2710 3.2710 3.3265 3.3265 4.7541 4.7541 4.9341 4.9341 5.8881 5.8881 9.6527 9.6527 11.5933 11.5933 12.3768 12.3768 13.3624 13.3624 k = 0.1923-0.3122-0.6028 ( 5123 PWs) bands (ev): -44.4632 -44.4632 -16.5168 -16.5168 -16.3424 -16.3424 -16.3345 -16.3345 -8.0404 -8.0404 -7.9265 -7.9265 -7.2348 -7.2348 -7.1170 -7.1170 -7.0014 -7.0014 -5.6641 -5.6641 -4.4920 -4.4920 1.5173 1.5173 3.2122 3.2122 3.3013 3.3013 4.6891 4.6891 4.8876 4.8876 5.8832 5.8832 9.6389 9.6389 11.6513 11.6513 12.4373 12.4373 13.3617 13.3617 k = 0.1983-0.3219-0.6216 ( 5119 PWs) bands (ev): -44.4631 -44.4631 -16.5171 -16.5171 -16.3429 -16.3429 -16.3346 -16.3346 -8.0439 -8.0439 -7.9283 -7.9283 -7.2366 -7.2366 -7.1202 -7.1202 -7.0001 -7.0001 -5.6125 -5.6125 -4.4699 -4.4699 1.4783 1.4783 3.1562 3.1562 3.2818 3.2818 4.6230 4.6230 4.8445 4.8445 5.8764 5.8764 9.6247 9.6247 11.7078 11.7078 12.4959 12.4959 13.3628 13.3628 k = 0.2043-0.3317-0.6404 ( 5115 PWs) bands (ev): -44.4631 -44.4631 -16.5174 -16.5174 -16.3432 -16.3432 -16.3347 -16.3347 -8.0469 -8.0469 -7.9303 -7.9303 -7.2382 -7.2382 -7.1236 -7.1236 -6.9989 -6.9989 -5.5604 -5.5604 -4.4497 -4.4497 1.4375 1.4375 3.1045 3.1045 3.2656 3.2656 4.5561 4.5561 4.8055 4.8055 5.8678 5.8678 9.6101 9.6101 11.7619 11.7619 12.5528 12.5528 13.3668 13.3668 k = 0.2103-0.3414-0.6593 ( 5115 PWs) bands (ev): -44.4631 -44.4631 -16.5176 -16.5176 -16.3436 -16.3436 -16.3348 -16.3348 -8.0497 -8.0497 -7.9324 -7.9324 -7.2396 -7.2396 -7.1270 -7.1270 -6.9977 -6.9977 -5.5079 -5.5079 -4.4315 -4.4315 1.3955 1.3955 3.0577 3.0577 3.2512 3.2512 4.4883 4.4883 4.7713 4.7713 5.8574 5.8574 9.5954 9.5954 11.8131 11.8131 12.6079 12.6079 13.3743 13.3743 k = 0.2163-0.3512-0.6781 ( 5111 PWs) bands (ev): -44.4630 -44.4630 -16.5179 -16.5179 -16.3440 -16.3440 -16.3350 -16.3350 -8.0520 -8.0520 -7.9346 -7.9346 -7.2407 -7.2407 -7.1306 -7.1306 -6.9967 -6.9967 -5.4552 -5.4552 -4.4155 -4.4155 1.3530 1.3530 3.0160 3.0160 3.2377 3.2377 4.4199 4.4199 4.7423 4.7423 5.8450 5.8450 9.5806 9.5806 11.8605 11.8605 12.6613 12.6613 13.3858 13.3858 k = 0.2223-0.3610-0.6970 ( 5111 PWs) bands (ev): -44.4630 -44.4630 -16.5181 -16.5181 -16.3443 -16.3443 -16.3351 -16.3351 -8.0539 -8.0539 -7.9370 -7.9370 -7.2416 -7.2416 -7.1344 -7.1344 -6.9958 -6.9958 -5.4025 -5.4025 -4.4018 -4.4018 1.3106 1.3106 2.9796 2.9796 3.2242 3.2242 4.3510 4.3510 4.7191 4.7191 5.8308 5.8308 9.5658 9.5658 11.9035 11.9035 12.7133 12.7133 13.4017 13.4017 k = 0.2283-0.3707-0.7158 ( 5121 PWs) bands (ev): -44.4630 -44.4630 -16.5184 -16.5184 -16.3447 -16.3447 -16.3352 -16.3352 -8.0554 -8.0554 -7.9396 -7.9396 -7.2422 -7.2422 -7.1382 -7.1382 -6.9949 -6.9949 -5.3498 -5.3498 -4.3905 -4.3905 1.2687 1.2687 2.9485 2.9485 3.2098 3.2098 4.2818 4.2818 4.7021 4.7021 5.8148 5.8148 9.5511 9.5511 11.9416 11.9416 12.7637 12.7637 13.4222 13.4222 k = 0.2343-0.3805-0.7346 ( 5115 PWs) bands (ev): -44.4629 -44.4629 -16.5186 -16.5186 -16.3449 -16.3449 -16.3353 -16.3353 -8.0564 -8.0564 -7.9423 -7.9423 -7.2426 -7.2426 -7.1421 -7.1421 -6.9941 -6.9941 -5.2974 -5.2974 -4.3817 -4.3817 1.2278 1.2278 2.9230 2.9230 3.1940 3.1940 4.2124 4.2124 4.6916 4.6916 5.7969 5.7969 9.5364 9.5364 11.9742 11.9742 12.8125 12.8125 13.4473 13.4473 k = 0.2403-0.3902-0.7535 ( 5111 PWs) bands (ev): -44.4629 -44.4629 -16.5188 -16.5188 -16.3452 -16.3452 -16.3354 -16.3354 -8.0570 -8.0570 -7.9453 -7.9453 -7.2428 -7.2428 -7.1462 -7.1462 -6.9935 -6.9935 -5.2454 -5.2454 -4.3753 -4.3753 1.1884 1.1884 2.9029 2.9029 3.1766 3.1766 4.1430 4.1430 4.6876 4.6876 5.7773 5.7773 9.5218 9.5218 12.0008 12.0008 12.8594 12.8594 13.4768 13.4768 k = 0.2464-0.4000-0.7723 ( 5105 PWs) bands (ev): -44.4629 -44.4629 -16.5189 -16.5189 -16.3454 -16.3454 -16.3356 -16.3356 -8.0572 -8.0572 -7.9483 -7.9483 -7.2427 -7.2427 -7.1503 -7.1503 -6.9929 -6.9929 -5.1939 -5.1939 -4.3716 -4.3716 1.1508 1.1508 2.8884 2.8884 3.1573 3.1573 4.0738 4.0738 4.6901 4.6901 5.7560 5.7560 9.5072 9.5072 12.0211 12.0211 12.9039 12.9039 13.5104 13.5104 k = 0.2524-0.4097-0.7911 ( 5113 PWs) bands (ev): -44.4629 -44.4629 -16.5191 -16.5191 -16.3457 -16.3457 -16.3357 -16.3357 -8.0569 -8.0569 -7.9516 -7.9516 -7.2424 -7.2424 -7.1545 -7.1545 -6.9924 -6.9924 -5.1430 -5.1430 -4.3705 -4.3705 1.1153 1.1153 2.8793 2.8793 3.1362 3.1362 4.0049 4.0049 4.6989 4.6989 5.7332 5.7332 9.4926 9.4926 12.0350 12.0350 12.9451 12.9451 13.5473 13.5473 k = 0.2584-0.4195-0.8100 ( 5117 PWs) bands (ev): -44.4629 -44.4629 -16.5193 -16.5193 -16.3459 -16.3459 -16.3358 -16.3358 -8.0561 -8.0561 -7.9550 -7.9550 -7.2418 -7.2418 -7.1588 -7.1588 -6.9919 -6.9919 -5.0931 -5.0931 -4.3720 -4.3720 1.0821 1.0821 2.8755 2.8755 3.1136 3.1136 3.9365 3.9365 4.7136 4.7136 5.7089 5.7089 9.4781 9.4781 12.0425 12.0425 12.9814 12.9814 13.5853 13.5853 k = 0.2644-0.4292-0.8288 ( 5121 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3461 -16.3461 -16.3360 -16.3360 -8.0549 -8.0549 -7.9586 -7.9586 -7.2410 -7.2410 -7.1632 -7.1632 -6.9916 -6.9916 -5.0440 -5.0440 -4.3761 -4.3761 1.0514 1.0514 2.8770 2.8770 3.0899 3.0899 3.8689 3.8689 4.7337 4.7337 5.6833 5.6833 9.4636 9.4636 12.0438 12.0438 13.0103 13.0103 13.6061 13.6061 k = 0.2704-0.4390-0.8476 ( 5119 PWs) bands (ev): -44.4628 -44.4628 -16.5196 -16.5196 -16.3462 -16.3462 -16.3361 -16.3361 -8.0532 -8.0532 -7.9624 -7.9624 -7.2400 -7.2400 -7.1676 -7.1676 -6.9913 -6.9913 -4.9961 -4.9961 -4.3828 -4.3828 1.0234 1.0234 2.8833 2.8833 3.0654 3.0654 3.8024 3.8024 4.7588 4.7588 5.6566 5.6566 9.4490 9.4490 12.0395 12.0395 13.0286 13.0286 13.5987 13.5987 k = 0.2764-0.4487-0.8665 ( 5115 PWs) bands (ev): -44.4628 -44.4628 -16.5197 -16.5197 -16.3464 -16.3464 -16.3362 -16.3362 -8.0511 -8.0511 -7.9663 -7.9663 -7.2387 -7.2387 -7.1721 -7.1721 -6.9910 -6.9910 -4.9495 -4.9495 -4.3920 -4.3920 0.9981 0.9981 2.8941 2.8941 3.0410 3.0410 3.7371 3.7371 4.7882 4.7882 5.6288 5.6288 9.4345 9.4345 12.0302 12.0302 13.0328 13.0328 13.5910 13.5910 k = 0.2824-0.4585-0.8853 ( 5111 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3465 -16.3465 -16.3363 -16.3363 -8.0486 -8.0486 -7.9705 -7.9705 -7.2372 -7.2372 -7.1765 -7.1765 -6.9909 -6.9909 -4.9042 -4.9042 -4.4037 -4.4037 0.9756 0.9756 2.9086 2.9086 3.0175 3.0175 3.6737 3.6737 4.8213 4.8213 5.6001 5.6001 9.4198 9.4198 12.0165 12.0165 13.0202 13.0202 13.5862 13.5862 k = 0.2884-0.4683-0.9042 ( 5109 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3465 -16.3465 -16.3364 -16.3364 -8.0456 -8.0456 -7.9748 -7.9748 -7.2354 -7.2354 -7.1810 -7.1810 -6.9907 -6.9907 -4.8604 -4.8604 -4.4178 -4.4178 0.9558 0.9558 2.9250 2.9250 2.9967 2.9967 3.6127 3.6127 4.8576 4.8576 5.5708 5.5708 9.4049 9.4049 11.9994 11.9994 12.9904 12.9904 13.5839 13.5839 k = 0.2944-0.4780-0.9230 ( 5103 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3466 -16.3466 -16.3365 -16.3365 -8.0423 -8.0423 -7.9792 -7.9792 -7.2333 -7.2333 -7.1855 -7.1855 -6.9906 -6.9906 -4.8182 -4.8182 -4.4343 -4.4343 0.9386 0.9386 2.9375 2.9375 2.9840 2.9840 3.5549 3.5549 4.8964 4.8964 5.5410 5.5410 9.3898 9.3898 11.9799 11.9799 12.9456 12.9456 13.5828 13.5828 k = 0.3004-0.4878-0.9418 ( 5113 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3467 -16.3467 -16.3366 -16.3366 -8.0386 -8.0386 -7.9838 -7.9838 -7.2310 -7.2310 -7.1900 -7.1900 -6.9906 -6.9906 -4.7777 -4.7777 -4.4529 -4.4529 0.9240 0.9240 2.9341 2.9341 2.9902 2.9902 3.5019 3.5019 4.9373 4.9373 5.5109 5.5109 9.3744 9.3744 11.9587 11.9587 12.8892 12.8892 13.5816 13.5816 k = 0.3064-0.4975-0.9607 ( 5111 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3467 -16.3467 -16.3366 -16.3366 -8.0346 -8.0346 -7.9885 -7.9885 -7.2284 -7.2284 -7.1944 -7.1944 -6.9906 -6.9906 -4.7389 -4.7389 -4.4736 -4.4736 0.9118 0.9118 2.9212 2.9212 3.0074 3.0074 3.4559 3.4559 4.9798 4.9798 5.4808 5.4808 9.3585 9.3585 11.9369 11.9369 12.8244 12.8244 13.5784 13.5784 k = 0.3124-0.5073-0.9795 ( 5111 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3467 -16.3467 -16.3367 -16.3367 -8.0303 -8.0303 -7.9934 -7.9934 -7.2255 -7.2255 -7.1988 -7.1988 -6.9905 -6.9905 -4.7020 -4.7020 -4.4963 -4.4963 0.9017 0.9017 2.9081 2.9081 3.0228 3.0228 3.4205 3.4205 5.0233 5.0233 5.4508 5.4508 9.3419 9.3419 11.9153 11.9153 12.7540 12.7540 13.5716 13.5716 k = 0.3185-0.5170-0.9983 ( 5117 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0257 -8.0257 -7.9983 -7.9983 -7.2224 -7.2224 -7.2031 -7.2031 -6.9906 -6.9906 -4.6670 -4.6670 -4.5208 -4.5208 0.8936 0.8936 2.8976 2.8976 3.0294 3.0294 3.4005 3.4005 5.0674 5.0674 5.4212 5.4212 9.3245 9.3245 11.8946 11.8946 12.6797 12.6797 13.5592 13.5592 k = 0.3245-0.5268-1.0172 ( 5115 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0212 -8.0212 -8.0031 -8.0031 -7.2189 -7.2189 -7.2074 -7.2074 -6.9906 -6.9906 -4.6338 -4.6338 -4.5469 -4.5469 0.8872 0.8872 2.8905 2.8905 3.0224 3.0224 3.3999 3.3999 5.1117 5.1117 5.3922 5.3922 9.3059 9.3059 11.8758 11.8758 12.6029 12.6029 13.5395 13.5395 k = 0.3305-0.5365-1.0360 ( 5113 PWs) bands (ev): -44.4628 -44.4628 -16.5202 -16.5202 -16.3468 -16.3468 -16.3368 -16.3368 -8.0174 -8.0174 -8.0070 -8.0070 -7.2152 -7.2152 -7.2115 -7.2115 -6.9906 -6.9906 -4.6027 -4.6027 -4.5745 -4.5745 0.8821 0.8821 2.8873 2.8873 3.0015 3.0015 3.4187 3.4187 5.1558 5.1558 5.3642 5.3642 9.2860 9.2860 11.8594 11.8594 12.5245 12.5245 13.5109 13.5109 k = 0.3365-0.5463-1.0548 ( 5104 PWs) bands (ev): -44.4627 -44.4627 -16.5201 -16.5201 -16.3467 -16.3467 -16.3368 -16.3368 -8.0176 -8.0176 -8.0068 -8.0068 -7.2156 -7.2156 -7.2111 -7.2111 -6.9906 -6.9906 -4.6036 -4.6036 -4.5732 -4.5732 0.8781 0.8781 2.8876 2.8876 2.9709 2.9709 3.4532 3.4532 5.1994 5.1994 5.3374 5.3374 9.2645 9.2645 11.8460 11.8460 12.4451 12.4451 13.4723 13.4723 k = 0.3425-0.5561-1.0737 ( 5110 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0218 -8.0218 -8.0025 -8.0025 -7.2195 -7.2195 -7.2068 -7.2068 -6.9905 -6.9905 -4.6337 -4.6337 -4.5459 -4.5459 0.8749 0.8749 2.8878 2.8878 2.9388 2.9388 3.4989 3.4989 5.2420 5.2420 5.3124 5.3124 9.2410 9.2410 11.8363 11.8363 12.3650 12.3650 13.4229 13.4229 k = 0.6575-0.4144-0.9875 ( 5110 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0218 -8.0218 -8.0025 -8.0025 -7.2195 -7.2195 -7.2068 -7.2068 -6.9905 -6.9905 -4.6337 -4.6337 -4.5459 -4.5459 0.8749 0.8749 2.8878 2.8878 2.9388 2.9388 3.4989 3.4989 5.2420 5.2420 5.3124 5.3124 9.2410 9.2410 11.8363 11.8363 12.3650 12.3650 13.4229 13.4229 k = 0.6517-0.3938-0.9875 ( 5114 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3368 -16.3368 -8.0268 -8.0268 -7.9974 -7.9974 -7.2232 -7.2232 -7.2023 -7.2023 -6.9905 -6.9905 -4.6639 -4.6639 -4.5211 -4.5211 0.8722 0.8722 2.8703 2.8703 2.9268 2.9268 3.5505 3.5505 5.2791 5.2791 5.2931 5.2931 9.2159 9.2159 11.8306 11.8306 12.2869 12.2869 13.3645 13.3645 k = 0.6458-0.3732-0.9875 ( 5116 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3367 -16.3367 -8.0321 -8.0321 -7.9919 -7.9919 -7.2267 -7.2267 -7.1975 -7.1975 -6.9904 -6.9904 -4.6949 -4.6949 -4.4981 -4.4981 0.8697 0.8697 2.8329 2.8329 2.9385 2.9385 3.6071 3.6071 5.2677 5.2677 5.3232 5.3232 9.1884 9.1884 11.8289 11.8289 12.2088 12.2088 13.2964 13.2964 k = 0.6400-0.3526-0.9875 ( 5122 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3367 -16.3367 -8.0375 -8.0375 -7.9863 -7.9863 -7.2301 -7.2301 -7.1925 -7.1925 -6.9903 -6.9903 -4.7265 -4.7265 -4.4768 -4.4768 0.8673 0.8673 2.7905 2.7905 2.9601 2.9601 3.6668 3.6668 5.2501 5.2501 5.3608 5.3608 9.1580 9.1580 11.8310 11.8310 12.1310 12.1310 13.2196 13.2196 k = 0.6342-0.3321-0.9875 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5201 -16.5201 -16.3468 -16.3468 -16.3366 -16.3366 -8.0430 -8.0430 -7.9807 -7.9807 -7.2333 -7.2333 -7.1871 -7.1871 -6.9902 -6.9902 -4.7586 -4.7586 -4.4571 -4.4571 0.8646 0.8646 2.7471 2.7471 2.9884 2.9884 3.7284 3.7284 5.2352 5.2352 5.3971 5.3971 9.1246 9.1246 11.8360 11.8360 12.0549 12.0549 13.1353 13.1353 k = 0.6283-0.3115-0.9875 ( 5120 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3468 -16.3468 -16.3364 -16.3364 -8.0485 -8.0485 -7.9750 -7.9750 -7.2364 -7.2364 -7.1815 -7.1815 -6.9900 -6.9900 -4.7910 -4.7910 -4.4390 -4.4390 0.8616 0.8616 2.7040 2.7040 3.0227 3.0227 3.7907 3.7907 5.2239 5.2239 5.4316 5.4316 9.0879 9.0879 11.8395 11.8395 11.9846 11.9846 13.0453 13.0453 k = 0.6225-0.2909-0.9875 ( 5130 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3469 -16.3469 -16.3363 -16.3363 -8.0540 -8.0540 -7.9694 -7.9694 -7.2394 -7.2394 -7.1757 -7.1757 -6.9898 -6.9898 -4.8236 -4.8236 -4.4225 -4.4225 0.8582 0.8582 2.6617 2.6617 3.0626 3.0626 3.8526 3.8526 5.2167 5.2167 5.4643 5.4643 9.0476 9.0476 11.8246 11.8246 11.9371 11.9371 12.9512 12.9512 k = 0.6167-0.2703-0.9875 ( 5138 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3469 -16.3469 -16.3362 -16.3362 -8.0595 -8.0595 -7.9639 -7.9639 -7.2421 -7.2421 -7.1696 -7.1696 -6.9895 -6.9895 -4.8561 -4.8561 -4.4073 -4.4073 0.8543 0.8543 2.6204 2.6204 3.1079 3.1079 3.9131 3.9131 5.2142 5.2142 5.4951 5.4951 9.0036 9.0036 11.7707 11.7707 11.9325 11.9325 12.8552 12.8552 k = 0.6108-0.2497-0.9875 ( 5140 PWs) bands (ev): -44.4628 -44.4628 -16.5200 -16.5200 -16.3470 -16.3470 -16.3361 -16.3361 -8.0649 -8.0649 -7.9585 -7.9585 -7.2447 -7.2447 -7.1634 -7.1634 -6.9892 -6.9892 -4.8885 -4.8885 -4.3936 -4.3936 0.8498 0.8498 2.5806 2.5806 3.1582 3.1582 3.9711 3.9711 5.2172 5.2172 5.5239 5.5239 8.9559 8.9559 11.6965 11.6965 11.9515 11.9515 12.7591 12.7591 k = 0.6050-0.2291-0.9875 ( 5138 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3470 -16.3470 -16.3359 -16.3359 -8.0702 -8.0702 -7.9532 -7.9532 -7.2471 -7.2471 -7.1570 -7.1570 -6.9888 -6.9888 -4.9205 -4.9205 -4.3811 -4.3811 0.8449 0.8449 2.5422 2.5422 3.2132 3.2132 4.0256 4.0256 5.2261 5.2261 5.5505 5.5505 8.9044 8.9044 11.6159 11.6159 11.9793 11.9793 12.6652 12.6652 k = 0.5992-0.2085-0.9875 ( 5144 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3471 -16.3471 -16.3357 -16.3357 -8.0754 -8.0754 -7.9481 -7.9481 -7.2494 -7.2494 -7.1504 -7.1504 -6.9883 -6.9883 -4.9520 -4.9520 -4.3699 -4.3699 0.8395 0.8395 2.5055 2.5055 3.2725 3.2725 4.0758 4.0758 5.2415 5.2415 5.5750 5.5750 8.8494 8.8494 11.5324 11.5324 12.0103 12.0103 12.5766 12.5766 k = 0.5933-0.1879-0.9875 ( 5140 PWs) bands (ev): -44.4628 -44.4628 -16.5199 -16.5199 -16.3471 -16.3471 -16.3355 -16.3355 -8.0805 -8.0805 -7.9431 -7.9431 -7.2515 -7.2515 -7.1438 -7.1438 -6.9877 -6.9877 -4.9829 -4.9829 -4.3598 -4.3598 0.8337 0.8337 2.4705 2.4705 3.3355 3.3355 4.1208 4.1208 5.2637 5.2637 5.5974 5.5974 8.7909 8.7909 11.4472 11.4472 12.0401 12.0401 12.4974 12.4974 k = 0.5875-0.1673-0.9875 ( 5134 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3471 -16.3471 -16.3353 -16.3353 -8.0853 -8.0853 -7.9384 -7.9384 -7.2535 -7.2535 -7.1372 -7.1372 -6.9871 -6.9871 -5.0130 -5.0130 -4.3507 -4.3507 0.8276 0.8276 2.4374 2.4374 3.4016 3.4016 4.1603 4.1603 5.2927 5.2927 5.6176 5.6176 8.7294 8.7294 11.3609 11.3609 12.0614 12.0614 12.4349 12.4349 k = 0.5817-0.1467-0.9875 ( 5132 PWs) bands (ev): -44.4628 -44.4628 -16.5198 -16.5198 -16.3472 -16.3472 -16.3351 -16.3351 -8.0901 -8.0901 -7.9340 -7.9340 -7.2552 -7.2552 -7.1305 -7.1305 -6.9864 -6.9864 -5.0420 -5.0420 -4.3426 -4.3426 0.8213 0.8213 2.4061 2.4061 3.4704 3.4704 4.1940 4.1940 5.3281 5.3281 5.6356 5.6356 8.6653 8.6653 11.2740 11.2740 12.0634 12.0634 12.4000 12.4000 k = 0.5758-0.1261-0.9875 ( 5134 PWs) bands (ev): -44.4629 -44.4629 -16.5197 -16.5197 -16.3472 -16.3472 -16.3349 -16.3349 -8.0946 -8.0946 -7.9298 -7.9298 -7.2569 -7.2569 -7.1240 -7.1240 -6.9856 -6.9856 -5.0700 -5.0700 -4.3354 -4.3354 0.8149 0.8149 2.3768 2.3768 3.5409 3.5409 4.2220 4.2220 5.3694 5.3694 5.6516 5.6516 8.5991 8.5991 11.1870 11.1870 12.0391 12.0391 12.3993 12.3993 k = 0.5700-0.1055-0.9875 ( 5138 PWs) bands (ev): -44.4629 -44.4629 -16.5197 -16.5197 -16.3473 -16.3473 -16.3347 -16.3347 -8.0988 -8.0988 -7.9258 -7.9258 -7.2583 -7.2583 -7.1176 -7.1176 -6.9848 -6.9848 -5.0966 -5.0966 -4.3291 -4.3291 0.8085 0.8085 2.3495 2.3495 3.6126 3.6126 4.2448 4.2448 5.4155 5.4155 5.6654 5.6654 8.5317 8.5317 11.1006 11.1006 11.9945 11.9945 12.4263 12.4263 k = 0.5642-0.0849-0.9875 ( 5136 PWs) bands (ev): -44.4629 -44.4629 -16.5197 -16.5197 -16.3474 -16.3474 -16.3345 -16.3345 -8.1029 -8.1029 -7.9222 -7.9222 -7.2597 -7.2597 -7.1115 -7.1115 -6.9839 -6.9839 -5.1218 -5.1218 -4.3235 -4.3235 0.8021 0.8021 2.3242 2.3242 3.6845 3.6845 4.2629 4.2629 5.4652 5.4652 5.6772 5.6772 8.4637 8.4637 11.0155 11.0155 11.9408 11.9408 12.4689 12.4689 k = 0.5583-0.0643-0.9875 ( 5134 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3474 -16.3474 -16.3343 -16.3343 -8.1066 -8.1066 -7.9188 -7.9188 -7.2609 -7.2609 -7.1056 -7.1056 -6.9829 -6.9829 -5.1455 -5.1455 -4.3186 -4.3186 0.7960 0.7960 2.3010 2.3010 3.7557 3.7557 4.2771 4.2771 5.5170 5.5170 5.6872 5.6872 8.3961 8.3961 10.9325 10.9325 11.8853 11.8853 12.5176 12.5176 k = 0.5525-0.0437-0.9875 ( 5134 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3475 -16.3475 -16.3341 -16.3341 -8.1100 -8.1100 -7.9158 -7.9158 -7.2619 -7.2619 -7.1001 -7.1001 -6.9819 -6.9819 -5.1674 -5.1674 -4.3143 -4.3143 0.7902 0.7902 2.2799 2.2799 3.8251 3.8251 4.2880 4.2880 5.5693 5.5693 5.6956 5.6956 8.3300 8.3300 10.8526 10.8526 11.8317 11.8317 12.5649 12.5649 k = 0.5467-0.0231-0.9875 ( 5130 PWs) bands (ev): -44.4629 -44.4629 -16.5196 -16.5196 -16.3475 -16.3475 -16.3340 -16.3340 -8.1132 -8.1132 -7.9130 -7.9130 -7.2629 -7.2629 -7.0951 -7.0951 -6.9808 -6.9808 -5.1874 -5.1874 -4.3107 -4.3107 0.7847 0.7847 2.2610 2.2610 3.8918 3.8918 4.2964 4.2964 5.6200 5.6200 5.7032 5.7032 8.2663 8.2663 10.7769 10.7769 11.7822 11.7822 12.6014 12.6014 k = 0.5408-0.0025-0.9875 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3475 -16.3475 -16.3338 -16.3338 -8.1160 -8.1160 -7.9106 -7.9106 -7.2637 -7.2637 -7.0905 -7.0905 -6.9798 -6.9798 -5.2054 -5.2054 -4.3076 -4.3076 0.7797 0.7797 2.2442 2.2442 3.9543 3.9543 4.3030 4.3030 5.6651 5.6651 5.7126 5.7126 8.2064 8.2064 10.7065 10.7065 11.7375 11.7375 12.6165 12.6165 k = 0.5350 0.0181-0.9875 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3337 -16.3337 -8.1185 -8.1185 -7.9085 -7.9085 -7.2644 -7.2644 -7.0864 -7.0864 -6.9787 -6.9787 -5.2213 -5.2213 -4.3050 -4.3050 0.7752 0.7752 2.2296 2.2296 4.0116 4.0116 4.3083 4.3083 5.6924 5.6924 5.7351 5.7351 8.1513 8.1513 10.6425 10.6425 11.6984 11.6984 12.6101 12.6101 k = 0.5292 0.0387-0.9875 ( 5124 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3335 -16.3335 -8.1206 -8.1206 -7.9067 -7.9067 -7.2650 -7.2650 -7.0829 -7.0829 -6.9778 -6.9778 -5.2349 -5.2349 -4.3028 -4.3028 0.7713 0.7713 2.2172 2.2172 4.0621 4.0621 4.3129 4.3129 5.7006 5.7006 5.7706 5.7706 8.1021 8.1021 10.5861 10.5861 11.6650 11.6650 12.5936 12.5936 k = 0.5233 0.0592-0.9875 ( 5118 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3334 -16.3334 -8.1223 -8.1223 -7.9053 -7.9053 -7.2654 -7.2654 -7.0800 -7.0800 -6.9769 -6.9769 -5.2462 -5.2462 -4.3011 -4.3011 0.7680 0.7680 2.2071 2.2071 4.1047 4.1047 4.3172 4.3172 5.7032 5.7032 5.8049 5.8049 8.0602 8.0602 10.5382 10.5382 11.6376 11.6376 12.5757 12.5757 k = 0.5175 0.0798-0.9875 ( 5122 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3334 -16.3334 -8.1237 -8.1237 -7.9041 -7.9041 -7.2658 -7.2658 -7.0778 -7.0778 -6.9762 -6.9762 -5.2551 -5.2551 -4.2998 -4.2998 0.7655 0.7655 2.1992 2.1992 4.1382 4.1382 4.3213 4.3213 5.7041 5.7041 5.8335 5.8335 8.0263 8.0263 10.4998 10.4998 11.6163 11.6163 12.5601 12.5601 k = 0.5117 0.1004-0.9875 ( 5122 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3477 -16.3477 -16.3333 -16.3333 -8.1247 -8.1247 -7.9033 -7.9033 -7.2661 -7.2661 -7.0761 -7.0761 -6.9757 -6.9757 -5.2615 -5.2615 -4.2989 -4.2989 0.7636 0.7636 2.1935 2.1935 4.1621 4.1621 4.3250 4.3250 5.7043 5.7043 5.8547 5.8547 8.0015 8.0015 10.4718 10.4718 11.6010 11.6010 12.5484 12.5484 k = 0.5058 0.1210-0.9875 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1253 -8.1253 -7.9028 -7.9028 -7.2662 -7.2662 -7.0752 -7.0752 -6.9753 -6.9753 -5.2654 -5.2654 -4.2983 -4.2983 0.7625 0.7625 2.1902 2.1902 4.1762 4.1762 4.3277 4.3277 5.7042 5.7042 5.8678 5.8678 7.9864 7.9864 10.4547 10.4547 11.5918 11.5918 12.5411 12.5411 k = 0.5000 0.1416-0.9875 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1255 -8.1255 -7.9027 -7.9027 -7.2663 -7.2663 -7.0748 -7.0748 -6.9752 -6.9752 -5.2667 -5.2667 -4.2982 -4.2982 0.7621 0.7621 2.1890 2.1890 4.1808 4.1808 4.3287 4.3287 5.7041 5.7041 5.8722 5.8722 7.9812 7.9812 10.4490 10.4490 11.5888 11.5888 12.5387 12.5387 k = 0.5000 0.1416-0.9875 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1255 -8.1255 -7.9027 -7.9027 -7.2663 -7.2663 -7.0748 -7.0748 -6.9752 -6.9752 -5.2667 -5.2667 -4.2982 -4.2982 0.7621 0.7621 2.1890 2.1890 4.1808 4.1808 4.3287 4.3287 5.7041 5.7041 5.8722 5.8722 7.9812 7.9812 10.4490 10.4490 11.5888 11.5888 12.5387 12.5387 k = 0.5175 0.1466-0.9780 ( 5135 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1254 -8.1254 -7.9027 -7.9027 -7.2663 -7.2663 -7.0748 -7.0748 -6.9752 -6.9752 -5.2667 -5.2667 -4.2985 -4.2985 0.7626 0.7626 2.1899 2.1899 4.1810 4.1810 4.3283 4.3283 5.7010 5.7010 5.8718 5.8718 7.9833 7.9833 10.4529 10.4529 11.5906 11.5906 12.5365 12.5365 k = 0.5350 0.1515-0.9684 ( 5141 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1254 -8.1254 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9753 -6.9753 -5.2668 -5.2668 -4.2994 -4.2994 0.7643 0.7643 2.1926 2.1926 4.1815 4.1815 4.3272 4.3272 5.6917 5.6917 5.8706 5.8706 7.9895 7.9895 10.4647 10.4647 11.5959 11.5959 12.5302 12.5302 k = 0.5525 0.1565-0.9588 ( 5137 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2662 -7.2662 -7.0749 -7.0749 -6.9753 -6.9753 -5.2670 -5.2670 -4.3009 -4.3009 0.7670 0.7670 2.1970 2.1970 4.1822 4.1822 4.3253 4.3253 5.6763 5.6763 5.8685 5.8685 7.9998 7.9998 10.4842 10.4842 11.6048 11.6048 12.5200 12.5200 k = 0.5700 0.1615-0.9493 ( 5133 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1252 -8.1252 -7.9027 -7.9027 -7.2662 -7.2662 -7.0749 -7.0749 -6.9753 -6.9753 -5.2673 -5.2673 -4.3029 -4.3029 0.7708 0.7708 2.2031 2.2031 4.1832 4.1832 4.3229 4.3229 5.6552 5.6552 5.8658 5.8658 8.0140 8.0140 10.5108 10.5108 11.6171 11.6171 12.5064 12.5064 k = 0.5875 0.1664-0.9397 ( 5135 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1250 -8.1250 -7.9027 -7.9027 -7.2662 -7.2662 -7.0749 -7.0749 -6.9754 -6.9754 -5.2678 -5.2678 -4.3055 -4.3055 0.7757 0.7757 2.2108 2.2108 4.1844 4.1844 4.3198 4.3198 5.6287 5.6287 5.8623 5.8623 8.0321 8.0321 10.5440 10.5440 11.6328 11.6328 12.4901 12.4901 k = 0.6050 0.1714-0.9301 ( 5140 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1248 -8.1248 -7.9027 -7.9027 -7.2661 -7.2661 -7.0749 -7.0749 -6.9755 -6.9755 -5.2684 -5.2684 -4.3086 -4.3086 0.7816 0.7816 2.2200 2.2200 4.1857 4.1857 4.3164 4.3164 5.5972 5.5972 5.8583 5.8583 8.0538 8.0538 10.5832 10.5832 11.6516 11.6516 12.4721 12.4721 k = 0.6225 0.1763-0.9205 ( 5143 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3476 -16.3476 -16.3334 -16.3334 -8.1245 -8.1245 -7.9027 -7.9027 -7.2661 -7.2661 -7.0750 -7.0750 -6.9756 -6.9756 -5.2692 -5.2692 -4.3120 -4.3120 0.7885 0.7885 2.2307 2.2307 4.1870 4.1870 4.3127 4.3127 5.5615 5.5615 5.8537 5.8537 8.0788 8.0788 10.6275 10.6275 11.6733 11.6733 12.4535 12.4535 k = 0.6400 0.1813-0.9110 ( 5139 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1242 -8.1242 -7.9027 -7.9027 -7.2660 -7.2660 -7.0750 -7.0750 -6.9757 -6.9757 -5.2702 -5.2702 -4.3159 -4.3159 0.7964 0.7964 2.2426 2.2426 4.1882 4.1882 4.3089 4.3089 5.5220 5.5220 5.8487 5.8487 8.1070 8.1070 10.6759 10.6759 11.6978 11.6978 12.4357 12.4357 k = 0.6575 0.1862-0.9014 ( 5139 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1239 -8.1239 -7.9027 -7.9027 -7.2659 -7.2659 -7.0750 -7.0750 -6.9758 -6.9758 -5.2715 -5.2715 -4.3200 -4.3200 0.8052 0.8052 2.2557 2.2557 4.1892 4.1892 4.3052 4.3052 5.4795 5.4795 5.8433 5.8433 8.1380 8.1380 10.7273 10.7273 11.7245 11.7245 12.4204 12.4204 k = 0.6575 0.1862-0.9014 ( 5139 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1239 -8.1239 -7.9027 -7.9027 -7.2659 -7.2659 -7.0750 -7.0750 -6.9758 -6.9758 -5.2715 -5.2715 -4.3200 -4.3200 0.8052 0.8052 2.2557 2.2557 4.1892 4.1892 4.3052 4.3052 5.4795 5.4795 5.8433 5.8433 8.1380 8.1380 10.7273 10.7273 11.7245 11.7245 12.4204 12.4204 k = 0.6541 0.1853-0.8799 ( 5141 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3475 -16.3475 -16.3334 -16.3334 -8.1225 -8.1225 -7.9028 -7.9028 -7.2655 -7.2655 -7.0752 -7.0752 -6.9763 -6.9763 -5.2821 -5.2821 -4.3277 -4.3277 0.8182 0.8182 2.2730 2.2730 4.1999 4.1999 4.3213 4.3213 5.4563 5.4563 5.8452 5.8452 8.1472 8.1472 10.7467 10.7467 11.7112 11.7112 12.4298 12.4298 k = 0.6507 0.1843-0.8585 ( 5142 PWs) bands (ev): -44.4629 -44.4629 -16.5193 -16.5193 -16.3473 -16.3473 -16.3334 -16.3334 -8.1206 -8.1206 -7.9029 -7.9029 -7.2650 -7.2650 -7.0754 -7.0754 -6.9769 -6.9769 -5.2965 -5.2965 -4.3371 -4.3371 0.8365 0.8365 2.2947 2.2947 4.2115 4.2115 4.3375 4.3375 5.4323 5.4323 5.8478 5.8478 8.1616 8.1616 10.7676 10.7676 11.7014 11.7014 12.4439 12.4439 k = 0.6472 0.1833-0.8370 ( 5134 PWs) bands (ev): -44.4629 -44.4629 -16.5191 -16.5191 -16.3471 -16.3471 -16.3333 -16.3333 -8.1183 -8.1183 -7.9030 -7.9030 -7.2643 -7.2643 -7.0756 -7.0756 -6.9777 -6.9777 -5.3146 -5.3146 -4.3481 -4.3481 0.8599 0.8599 2.3208 2.3208 4.2241 4.2241 4.3535 4.3535 5.4076 5.4076 5.8510 5.8510 8.1813 8.1813 10.7900 10.7900 11.6950 11.6950 12.4623 12.4623 k = 0.6438 0.1824-0.8155 ( 5134 PWs) bands (ev): -44.4630 -44.4630 -16.5190 -16.5190 -16.3469 -16.3469 -16.3333 -16.3333 -8.1155 -8.1155 -7.9031 -7.9031 -7.2635 -7.2635 -7.0758 -7.0758 -6.9786 -6.9786 -5.3361 -5.3361 -4.3607 -4.3607 0.8882 0.8882 2.3511 2.3511 4.2381 4.2381 4.3691 4.3691 5.3823 5.3823 5.8549 5.8549 8.2060 8.2060 10.8137 10.8137 11.6924 11.6924 12.4850 12.4850 k = 0.6404 0.1814-0.7941 ( 5136 PWs) bands (ev): -44.4630 -44.4630 -16.5189 -16.5189 -16.3467 -16.3467 -16.3334 -16.3334 -8.1123 -8.1123 -7.9032 -7.9032 -7.2626 -7.2626 -7.0761 -7.0761 -6.9797 -6.9797 -5.3607 -5.3607 -4.3751 -4.3751 0.9213 0.9213 2.3856 2.3856 4.2536 4.2536 4.3845 4.3845 5.3562 5.3562 5.8594 5.8594 8.2359 8.2359 10.8389 10.8389 11.6936 11.6936 12.5115 12.5115 k = 0.6370 0.1804-0.7726 ( 5140 PWs) bands (ev): -44.4630 -44.4630 -16.5187 -16.5187 -16.3464 -16.3464 -16.3334 -16.3334 -8.1087 -8.1087 -7.9034 -7.9034 -7.2614 -7.2614 -7.0764 -7.0764 -6.9809 -6.9809 -5.3881 -5.3881 -4.3913 -4.3913 0.9588 0.9588 2.4240 2.4240 4.2705 4.2705 4.3998 4.3998 5.3295 5.3295 5.8644 5.8644 8.2708 8.2708 10.8654 10.8654 11.6986 11.6986 12.5418 12.5418 k = 0.6335 0.1795-0.7511 ( 5138 PWs) bands (ev): -44.4630 -44.4630 -16.5185 -16.5185 -16.3461 -16.3461 -16.3334 -16.3334 -8.1047 -8.1047 -7.9036 -7.9036 -7.2602 -7.2602 -7.0767 -7.0767 -6.9822 -6.9822 -5.4181 -5.4181 -4.4092 -4.4092 1.0006 1.0006 2.4663 2.4663 4.2889 4.2889 4.4152 4.4152 5.3020 5.3020 5.8701 5.8701 8.3105 8.3105 10.8931 10.8931 11.7075 11.7075 12.5756 12.5756 k = 0.6301 0.1785-0.7296 ( 5136 PWs) bands (ev): -44.4630 -44.4630 -16.5183 -16.5183 -16.3457 -16.3457 -16.3334 -16.3334 -8.1004 -8.1004 -7.9038 -7.9038 -7.2587 -7.2587 -7.0770 -7.0770 -6.9837 -6.9837 -5.4503 -5.4503 -4.4290 -4.4290 1.0462 1.0462 2.5122 2.5122 4.3086 4.3086 4.4309 4.4309 5.2739 5.2739 5.8763 5.8763 8.3549 8.3549 10.9221 10.9221 11.7201 11.7201 12.6126 12.6126 k = 0.6267 0.1775-0.7082 ( 5128 PWs) bands (ev): -44.4630 -44.4630 -16.5180 -16.5180 -16.3453 -16.3453 -16.3334 -16.3334 -8.0956 -8.0956 -7.9040 -7.9040 -7.2571 -7.2571 -7.0774 -7.0774 -6.9852 -6.9852 -5.4844 -5.4844 -4.4505 -4.4505 1.0954 1.0954 2.5617 2.5617 4.3297 4.3297 4.4475 4.4475 5.2451 5.2451 5.8830 5.8830 8.4038 8.4038 10.9523 10.9523 11.7364 11.7364 12.6528 12.6528 k = 0.6233 0.1765-0.6867 ( 5122 PWs) bands (ev): -44.4631 -44.4631 -16.5178 -16.5178 -16.3449 -16.3449 -16.3333 -16.3333 -8.0906 -8.0906 -7.9042 -7.9042 -7.2553 -7.2553 -7.0777 -7.0777 -6.9869 -6.9869 -5.5202 -5.5202 -4.4739 -4.4739 1.1478 1.1478 2.6146 2.6146 4.3521 4.3521 4.4652 4.4652 5.2156 5.2156 5.8901 5.8901 8.4569 8.4569 10.9835 10.9835 11.7561 11.7561 12.6958 12.6958 k = 0.6198 0.1756-0.6652 ( 5124 PWs) bands (ev): -44.4631 -44.4631 -16.5175 -16.5175 -16.3445 -16.3445 -16.3333 -16.3333 -8.0852 -8.0852 -7.9045 -7.9045 -7.2533 -7.2533 -7.0780 -7.0780 -6.9887 -6.9887 -5.5573 -5.5573 -4.4989 -4.4989 1.2028 1.2028 2.6707 2.6707 4.3756 4.3756 4.4845 4.4845 5.1857 5.1857 5.8977 5.8977 8.5140 8.5140 11.0156 11.0156 11.7791 11.7791 12.7416 12.7416 k = 0.6164 0.1746-0.6438 ( 5125 PWs) bands (ev): -44.4631 -44.4631 -16.5173 -16.5173 -16.3441 -16.3441 -16.3333 -16.3333 -8.0796 -8.0796 -7.9048 -7.9048 -7.2512 -7.2512 -7.0784 -7.0784 -6.9906 -6.9906 -5.5955 -5.5955 -4.5256 -4.5256 1.2601 1.2601 2.7299 2.7299 4.4002 4.4002 4.5056 4.5056 5.1552 5.1552 5.9057 5.9057 8.5747 8.5747 11.0486 11.0486 11.8050 11.8050 12.7898 12.7898 k = 0.6130 0.1736-0.6223 ( 5122 PWs) bands (ev): -44.4631 -44.4631 -16.5170 -16.5170 -16.3436 -16.3436 -16.3333 -16.3333 -8.0737 -8.0737 -7.9051 -7.9051 -7.2488 -7.2488 -7.0787 -7.0787 -6.9926 -6.9926 -5.6345 -5.6345 -4.5538 -4.5538 1.3191 1.3191 2.7921 2.7921 4.4261 4.4261 4.5290 4.5290 5.1243 5.1243 5.9141 5.9141 8.6386 8.6386 11.0821 11.0821 11.8333 11.8333 12.8402 12.8402 k = 0.6096 0.1727-0.6008 ( 5121 PWs) bands (ev): -44.4632 -44.4632 -16.5167 -16.5167 -16.3432 -16.3432 -16.3333 -16.3333 -8.0675 -8.0675 -7.9054 -7.9054 -7.2463 -7.2463 -7.0790 -7.0790 -6.9946 -6.9946 -5.6742 -5.6742 -4.5835 -4.5835 1.3793 1.3793 2.8573 2.8573 4.4531 4.4531 4.5548 4.5548 5.0932 5.0932 5.9227 5.9227 8.7055 8.7055 11.1160 11.1160 11.8635 11.8635 12.8924 12.8924 k = 0.6061 0.1717-0.5794 ( 5132 PWs) bands (ev): -44.4632 -44.4632 -16.5165 -16.5165 -16.3427 -16.3427 -16.3333 -16.3333 -8.0612 -8.0612 -7.9057 -7.9057 -7.2435 -7.2435 -7.0793 -7.0793 -6.9967 -6.9967 -5.7141 -5.7141 -4.6145 -4.6145 1.4401 1.4401 2.9252 2.9252 4.4817 4.4817 4.5829 4.5829 5.0619 5.0619 5.9316 5.9316 8.7750 8.7750 11.1500 11.1500 11.8952 11.8952 12.9460 12.9460 k = 0.6027 0.1707-0.5579 ( 5134 PWs) bands (ev): -44.4632 -44.4632 -16.5162 -16.5162 -16.3422 -16.3422 -16.3333 -16.3333 -8.0547 -8.0547 -7.9061 -7.9061 -7.2405 -7.2405 -7.0796 -7.0796 -6.9989 -6.9989 -5.7543 -5.7543 -4.6468 -4.6468 1.5011 1.5011 2.9959 2.9959 4.5120 4.5120 4.6134 4.6134 5.0307 5.0307 5.9407 5.9407 8.8466 8.8466 11.1838 11.1838 11.9276 11.9276 13.0001 13.0001 k = 0.5993 0.1698-0.5364 ( 5134 PWs) bands (ev): -44.4633 -44.4633 -16.5159 -16.5159 -16.3417 -16.3417 -16.3332 -16.3332 -8.0481 -8.0481 -7.9065 -7.9065 -7.2373 -7.2373 -7.0798 -7.0798 -7.0012 -7.0012 -5.7943 -5.7943 -4.6800 -4.6800 1.5615 1.5615 3.0694 3.0694 4.5443 4.5443 4.6461 4.6461 4.9998 4.9998 5.9500 5.9500 8.9198 8.9198 11.2169 11.2169 11.9600 11.9600 13.0532 13.0532 k = 0.5959 0.1688-0.5150 ( 5134 PWs) bands (ev): -44.4633 -44.4633 -16.5156 -16.5156 -16.3412 -16.3412 -16.3332 -16.3332 -8.0414 -8.0414 -7.9069 -7.9069 -7.2338 -7.2338 -7.0800 -7.0800 -7.0035 -7.0035 -5.8342 -5.8342 -4.7143 -4.7143 1.6209 1.6209 3.1455 3.1455 4.5789 4.5789 4.6808 4.6808 4.9694 4.9694 5.9593 5.9593 8.9941 8.9941 11.2487 11.2487 11.9916 11.9916 13.1020 13.1020 k = 0.5924 0.1678-0.4935 ( 5133 PWs) bands (ev): -44.4633 -44.4633 -16.5153 -16.5153 -16.3407 -16.3407 -16.3331 -16.3331 -8.0347 -8.0347 -7.9073 -7.9073 -7.2301 -7.2301 -7.0801 -7.0801 -7.0058 -7.0058 -5.8736 -5.8736 -4.7493 -4.7493 1.6788 1.6788 3.2242 3.2242 4.6158 4.6158 4.7171 4.7171 4.9402 4.9402 5.9686 5.9686 9.0691 9.0691 11.2786 11.2786 12.0216 12.0216 13.1404 13.1404 k = 0.5890 0.1668-0.4720 ( 5137 PWs) bands (ev): -44.4634 -44.4634 -16.5150 -16.5150 -16.3403 -16.3403 -16.3330 -16.3330 -8.0279 -8.0279 -7.9077 -7.9077 -7.2262 -7.2262 -7.0801 -7.0801 -7.0082 -7.0082 -5.9125 -5.9125 -4.7849 -4.7849 1.7346 1.7346 3.3054 3.3054 4.6550 4.6550 4.7544 4.7544 4.9129 4.9129 5.9779 5.9779 9.1442 9.1442 11.3057 11.3057 12.0493 12.0493 13.1614 13.1614 k = 0.5856 0.1659-0.4506 ( 5140 PWs) bands (ev): -44.4634 -44.4634 -16.5147 -16.5147 -16.3398 -16.3398 -16.3329 -16.3329 -8.0212 -8.0212 -7.9082 -7.9082 -7.2221 -7.2221 -7.0801 -7.0801 -7.0106 -7.0106 -5.9506 -5.9506 -4.8210 -4.8210 1.7878 1.7878 3.3889 3.3889 4.6960 4.6960 4.7910 4.7910 4.8903 4.8903 5.9871 5.9871 9.2186 9.2186 11.3290 11.3290 12.0742 12.0742 13.1647 13.1647 k = 0.5822 0.1649-0.4291 ( 5135 PWs) bands (ev): -44.4634 -44.4634 -16.5144 -16.5144 -16.3393 -16.3393 -16.3328 -16.3328 -8.0145 -8.0145 -7.9086 -7.9086 -7.2178 -7.2178 -7.0801 -7.0801 -7.0130 -7.0130 -5.9880 -5.9880 -4.8575 -4.8575 1.8382 1.8382 3.4747 3.4747 4.7364 4.7364 4.8196 4.8196 4.8818 4.8818 5.9961 5.9961 9.2918 9.2918 11.3475 11.3475 12.0960 12.0960 13.1550 13.1550 k = 0.5788 0.1639-0.4076 ( 5140 PWs) bands (ev): -44.4635 -44.4635 -16.5141 -16.5141 -16.3389 -16.3389 -16.3327 -16.3327 -8.0079 -8.0079 -7.9091 -7.9091 -7.2132 -7.2132 -7.0799 -7.0799 -7.0154 -7.0154 -6.0243 -6.0243 -4.8941 -4.8941 1.8855 1.8855 3.5623 3.5623 4.7665 4.7665 4.8335 4.8335 4.9043 4.9043 6.0048 6.0048 9.3629 9.3629 11.3597 11.3597 12.1148 12.1148 13.1352 13.1352 k = 0.5753 0.1630-0.3862 ( 5134 PWs) bands (ev): -44.4635 -44.4635 -16.5137 -16.5137 -16.3384 -16.3384 -16.3325 -16.3325 -8.0014 -8.0014 -7.9095 -7.9095 -7.2084 -7.2084 -7.0797 -7.0797 -7.0178 -7.0178 -6.0596 -6.0596 -4.9308 -4.9308 1.9294 1.9294 3.6513 3.6513 4.7686 4.7686 4.8632 4.8632 4.9450 4.9450 6.0132 6.0132 9.4311 9.4311 11.3644 11.3644 12.1310 12.1310 13.1063 13.1063 k = 0.5719 0.1620-0.3647 ( 5139 PWs) bands (ev): -44.4636 -44.4636 -16.5135 -16.5135 -16.3381 -16.3381 -16.3323 -16.3323 -7.9952 -7.9952 -7.9099 -7.9099 -7.2035 -7.2035 -7.0793 -7.0793 -7.0202 -7.0202 -6.0937 -6.0937 -4.9673 -4.9673 1.9698 1.9698 3.7409 3.7409 4.7555 4.7555 4.9081 4.9081 4.9922 4.9922 6.0211 6.0211 9.4954 9.4954 11.3606 11.3606 12.1453 12.1453 13.0674 13.0674 k = 0.5685 0.1610-0.3432 ( 5139 PWs) bands (ev): -44.4636 -44.4636 -16.5132 -16.5132 -16.3377 -16.3377 -16.3320 -16.3320 -7.9891 -7.9891 -7.9103 -7.9103 -7.1985 -7.1985 -7.0789 -7.0789 -7.0226 -7.0226 -6.1266 -6.1266 -5.0035 -5.0035 2.0067 2.0067 3.8303 3.8303 4.7409 4.7409 4.9572 4.9572 5.0436 5.0436 6.0286 6.0286 9.5548 9.5548 11.3472 11.3472 12.1583 12.1583 13.0165 13.0165 k = 0.5651 0.1601-0.3218 ( 5139 PWs) bands (ev): -44.4636 -44.4636 -16.5129 -16.5129 -16.3374 -16.3374 -16.3318 -16.3318 -7.9832 -7.9832 -7.9107 -7.9107 -7.1933 -7.1933 -7.0783 -7.0783 -7.0249 -7.0249 -6.1581 -6.1581 -5.0394 -5.0394 2.0402 2.0402 3.9178 3.9178 4.7292 4.7292 5.0071 5.0071 5.0988 5.0988 6.0355 6.0355 9.6082 9.6082 11.3240 11.3240 12.1705 12.1705 12.9525 12.9525 k = 0.5616 0.1591-0.3003 ( 5132 PWs) bands (ev): -44.4636 -44.4636 -16.5126 -16.5126 -16.3371 -16.3371 -16.3315 -16.3315 -7.9776 -7.9776 -7.9110 -7.9110 -7.1881 -7.1881 -7.0775 -7.0775 -7.0272 -7.0272 -6.1882 -6.1882 -5.0746 -5.0746 2.0703 2.0703 4.0017 4.0017 4.7233 4.7233 5.0564 5.0564 5.1576 5.1576 6.0417 6.0417 9.6546 9.6546 11.2910 11.2910 12.1816 12.1816 12.8799 12.8799 k = 0.5582 0.1581-0.2788 ( 5132 PWs) bands (ev): -44.4637 -44.4637 -16.5124 -16.5124 -16.3369 -16.3369 -16.3312 -16.3312 -7.9724 -7.9724 -7.9113 -7.9113 -7.1829 -7.1829 -7.0766 -7.0766 -7.0295 -7.0295 -6.2168 -6.2168 -5.1091 -5.1091 2.0972 2.0972 4.0791 4.0791 4.7258 4.7258 5.1048 5.1048 5.2196 5.2196 6.0472 6.0472 9.6928 9.6928 11.2487 11.2487 12.1909 12.1909 12.8078 12.8078 k = 0.5548 0.1571-0.2573 ( 5132 PWs) bands (ev): -44.4637 -44.4637 -16.5121 -16.5121 -16.3367 -16.3367 -16.3308 -16.3308 -7.9674 -7.9674 -7.9116 -7.9116 -7.1778 -7.1778 -7.0755 -7.0755 -7.0317 -7.0317 -6.2439 -6.2439 -5.1427 -5.1427 2.1210 2.1210 4.1466 4.1466 4.7400 4.7400 5.1520 5.1520 5.2840 5.2840 6.0519 6.0519 9.7219 9.7219 11.1978 11.1978 12.1975 12.1975 12.7443 12.7443 k = 0.5514 0.1562-0.2359 ( 5134 PWs) bands (ev): -44.4637 -44.4637 -16.5119 -16.5119 -16.3366 -16.3366 -16.3305 -16.3305 -7.9628 -7.9628 -7.9117 -7.9117 -7.1727 -7.1727 -7.0742 -7.0742 -7.0338 -7.0338 -6.2694 -6.2694 -5.1753 -5.1753 2.1420 2.1420 4.2011 4.2011 4.7686 4.7686 5.1982 5.1982 5.3500 5.3500 6.0557 6.0557 9.7414 9.7414 11.1392 11.1392 12.2004 12.2004 12.6949 12.6949 k = 0.5479 0.1552-0.2144 ( 5129 PWs) bands (ev): -44.4638 -44.4638 -16.5116 -16.5116 -16.3364 -16.3364 -16.3301 -16.3301 -7.9586 -7.9586 -7.9118 -7.9118 -7.1679 -7.1679 -7.0727 -7.0727 -7.0359 -7.0359 -6.2933 -6.2933 -5.2068 -5.2068 2.1605 2.1605 4.2407 4.2407 4.8131 4.8131 5.2432 5.2432 5.4170 5.4170 6.0586 6.0586 9.7507 9.7507 11.0738 11.0738 12.1998 12.1998 12.6614 12.6614 k = 0.5445 0.1542-0.1929 ( 5137 PWs) bands (ev): -44.4638 -44.4638 -16.5114 -16.5114 -16.3363 -16.3363 -16.3298 -16.3298 -7.9548 -7.9548 -7.9118 -7.9118 -7.1633 -7.1633 -7.0710 -7.0710 -7.0379 -7.0379 -6.3156 -6.3156 -5.2369 -5.2369 2.1765 2.1765 4.2660 4.2660 4.8721 4.8721 5.2870 5.2870 5.4841 5.4841 6.0606 6.0606 9.7502 9.7502 11.0026 11.0026 12.1972 12.1972 12.6431 12.6431 k = 0.5411 0.1533-0.1715 ( 5135 PWs) bands (ev): -44.4638 -44.4638 -16.5112 -16.5112 -16.3362 -16.3362 -16.3294 -16.3294 -7.9514 -7.9514 -7.9116 -7.9116 -7.1590 -7.1590 -7.0690 -7.0690 -7.0397 -7.0397 -6.3362 -6.3362 -5.2655 -5.2655 2.1905 2.1905 4.2799 4.2799 4.9422 4.9422 5.3296 5.3296 5.5505 5.5505 6.0615 6.0615 9.7404 9.7404 10.9268 10.9268 12.1951 12.1951 12.6367 12.6367 k = 0.5377 0.1523-0.1500 ( 5139 PWs) bands (ev): -44.4638 -44.4638 -16.5111 -16.5111 -16.3361 -16.3361 -16.3291 -16.3291 -7.9484 -7.9484 -7.9114 -7.9114 -7.1551 -7.1551 -7.0669 -7.0669 -7.0414 -7.0414 -6.3551 -6.3551 -5.2926 -5.2926 2.2024 2.2024 4.2856 4.2856 5.0194 5.0194 5.3709 5.3709 5.6155 5.6155 6.0615 6.0615 9.7223 9.7223 10.8478 10.8478 12.1956 12.1956 12.6373 12.6373 k = 0.5342 0.1513-0.1285 ( 5129 PWs) bands (ev): -44.4639 -44.4639 -16.5108 -16.5108 -16.3360 -16.3360 -16.3288 -16.3288 -7.9459 -7.9459 -7.9110 -7.9110 -7.1516 -7.1516 -7.0645 -7.0645 -7.0431 -7.0431 -6.3723 -6.3723 -5.3178 -5.3178 2.2127 2.2127 4.2859 4.2859 5.1000 5.1000 5.4107 5.4107 5.6783 5.6783 6.0604 6.0604 9.6974 9.6974 10.7673 10.7673 12.1997 12.1997 12.6377 12.6377 k = 0.5308 0.1504-0.1071 ( 5131 PWs) bands (ev): -44.4639 -44.4639 -16.5107 -16.5107 -16.3360 -16.3360 -16.3285 -16.3285 -7.9437 -7.9437 -7.9105 -7.9105 -7.1485 -7.1485 -7.0620 -7.0620 -7.0445 -7.0445 -6.3878 -6.3878 -5.3412 -5.3412 2.2214 2.2214 4.2830 4.2830 5.1808 5.1808 5.4488 5.4488 5.7381 5.7381 6.0585 6.0585 9.6675 9.6675 10.6870 10.6870 12.2073 12.2073 12.6289 12.6289 k = 0.5274 0.1494-0.0856 ( 5127 PWs) bands (ev): -44.4639 -44.4639 -16.5105 -16.5105 -16.3359 -16.3359 -16.3282 -16.3282 -7.9420 -7.9420 -7.9100 -7.9100 -7.1458 -7.1458 -7.0595 -7.0595 -7.0459 -7.0459 -6.4017 -6.4017 -5.3625 -5.3625 2.2288 2.2288 4.2783 4.2783 5.2593 5.2593 5.4853 5.4853 5.7940 5.7940 6.0557 6.0557 9.6342 9.6342 10.6088 10.6088 12.2173 12.2173 12.6113 12.6113 k = 0.5240 0.1484-0.0641 ( 5122 PWs) bands (ev): -44.4639 -44.4639 -16.5104 -16.5104 -16.3358 -16.3358 -16.3279 -16.3279 -7.9405 -7.9405 -7.9094 -7.9094 -7.1436 -7.1436 -7.0570 -7.0570 -7.0471 -7.0471 -6.4139 -6.4139 -5.3817 -5.3817 2.2349 2.2349 4.2728 4.2728 5.3332 5.3332 5.5200 5.5200 5.8453 5.8453 6.0523 6.0523 9.5996 9.5996 10.5344 10.5344 12.2281 12.2281 12.5929 12.5929 k = 0.5205 0.1474-0.0427 ( 5123 PWs) bands (ev): -44.4639 -44.4639 -16.5103 -16.5103 -16.3358 -16.3358 -16.3277 -16.3277 -7.9394 -7.9394 -7.9088 -7.9088 -7.1417 -7.1417 -7.0546 -7.0546 -7.0481 -7.0481 -6.4244 -6.4244 -5.3986 -5.3986 2.2399 2.2399 4.2671 4.2671 5.4003 5.4003 5.5530 5.5530 5.8912 5.8912 6.0485 6.0485 9.5653 9.5653 10.4657 10.4657 12.2380 12.2380 12.5781 12.5781 k = 0.5171 0.1465-0.0212 ( 5132 PWs) bands (ev): -44.4639 -44.4639 -16.5102 -16.5102 -16.3358 -16.3358 -16.3275 -16.3275 -7.9385 -7.9385 -7.9082 -7.9082 -7.1402 -7.1402 -7.0524 -7.0524 -7.0490 -7.0490 -6.4332 -6.4332 -5.4131 -5.4131 2.2440 2.2440 4.2617 4.2617 5.4584 5.4584 5.5843 5.5843 5.9307 5.9307 6.0448 6.0448 9.5331 9.5331 10.4043 10.4043 12.2458 12.2458 12.5682 12.5682 k = 0.5137 0.1455 0.0003 ( 5129 PWs) bands (ev): -44.4639 -44.4639 -16.5101 -16.5101 -16.3358 -16.3358 -16.3274 -16.3274 -7.9379 -7.9379 -7.9076 -7.9076 -7.1390 -7.1390 -7.0504 -7.0504 -7.0497 -7.0497 -6.4404 -6.4404 -5.4252 -5.4252 2.2472 2.2472 4.2570 4.2570 5.5057 5.5057 5.6138 5.6138 5.9628 5.9628 6.0418 6.0418 9.5045 9.5045 10.3518 10.3518 12.2511 12.2511 12.5629 12.5629 k = 0.5103 0.1445 0.0217 ( 5123 PWs) bands (ev): -44.4639 -44.4639 -16.5101 -16.5101 -16.3357 -16.3357 -16.3272 -16.3272 -7.9374 -7.9374 -7.9072 -7.9072 -7.1381 -7.1381 -7.0503 -7.0503 -7.0488 -7.0488 -6.4460 -6.4460 -5.4346 -5.4346 2.2496 2.2496 4.2531 4.2531 5.5413 5.5413 5.6405 5.6405 5.9862 5.9862 6.0408 6.0408 9.4808 9.4808 10.3095 10.3095 12.2539 12.2539 12.5611 12.5611 k = 0.5068 0.1436 0.0432 ( 5122 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9371 -7.9371 -7.9069 -7.9069 -7.1375 -7.1375 -7.0507 -7.0507 -7.0476 -7.0476 -6.4500 -6.4500 -5.4414 -5.4414 2.2513 2.2513 4.2503 4.2503 5.5653 5.5653 5.6624 5.6624 6.0000 6.0000 6.0428 6.0428 9.4631 9.4631 10.2784 10.2784 12.2551 12.2551 12.5612 12.5612 k = 0.5034 0.1426 0.0647 ( 5119 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3271 -16.3271 -7.9369 -7.9369 -7.9067 -7.9067 -7.1372 -7.1372 -7.0510 -7.0510 -7.0469 -7.0469 -6.4524 -6.4524 -5.4455 -5.4455 2.2523 2.2523 4.2485 4.2485 5.5792 5.5792 5.6769 5.6769 6.0058 6.0058 6.0464 6.0464 9.4521 9.4521 10.2594 10.2594 12.2554 12.2554 12.5620 12.5620 k = 0.5000 0.1416 0.0861 ( 5114 PWs) bands (ev): -44.4640 -44.4640 -16.5100 -16.5100 -16.3357 -16.3357 -16.3270 -16.3270 -7.9368 -7.9368 -7.9066 -7.9066 -7.1371 -7.1371 -7.0510 -7.0510 -7.0466 -7.0466 -6.4532 -6.4532 -5.4469 -5.4469 2.2526 2.2526 4.2479 4.2479 5.5837 5.5837 5.6819 5.6819 6.0071 6.0071 6.0482 6.0482 9.4484 9.4484 10.2530 10.2530 12.2555 12.2555 12.5624 12.5624 k = 0.5000-0.8118-0.4938 ( 5144 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3478 -16.3478 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2520 -5.2520 -4.3324 -4.3324 0.9104 0.9104 2.3527 2.3527 3.9909 3.9909 4.2731 4.2731 5.0270 5.0270 5.7507 5.7507 8.6157 8.6157 11.0654 11.0654 12.6277 12.6277 12.8878 12.8878 k = 0.5185-0.8034-0.4887 ( 5142 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3478 -16.3478 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2521 -5.2521 -4.3323 -4.3323 0.9098 0.9098 2.3523 2.3523 3.9921 3.9921 4.2729 4.2729 5.0293 5.0293 5.7512 5.7512 8.6132 8.6132 11.0657 11.0657 12.6183 12.6183 12.8786 12.8786 k = 0.5371-0.7951-0.4836 ( 5138 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2522 -5.2522 -4.3322 -4.3322 0.9078 0.9078 2.3510 2.3510 3.9957 3.9957 4.2725 4.2725 5.0359 5.0359 5.7525 5.7525 8.6055 8.6055 11.0664 11.0664 12.5910 12.5910 12.8519 12.8519 k = 0.5556-0.7868-0.4786 ( 5139 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1253 -8.1253 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2525 -5.2525 -4.3319 -4.3319 0.9045 0.9045 2.3488 2.3488 4.0017 4.0017 4.2717 4.2717 5.0468 5.0468 5.7549 5.7549 8.5930 8.5930 11.0673 11.0673 12.5486 12.5486 12.8111 12.8111 k = 0.5741-0.7785-0.4735 ( 5133 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1252 -8.1252 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2529 -5.2529 -4.3316 -4.3316 0.9001 0.9001 2.3459 2.3459 4.0100 4.0100 4.2708 4.2708 5.0618 5.0618 5.7580 5.7580 8.5758 8.5758 11.0676 11.0676 12.4944 12.4944 12.7603 12.7603 k = 0.5927-0.7701-0.4684 ( 5126 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1252 -8.1252 -7.9027 -7.9027 -7.2663 -7.2663 -7.0749 -7.0749 -6.9752 -6.9752 -5.2535 -5.2535 -4.3311 -4.3311 0.8946 0.8946 2.3420 2.3420 4.0206 4.0206 4.2697 4.2697 5.0807 5.0807 5.7620 5.7620 8.5541 8.5541 11.0667 11.0667 12.4321 12.4321 12.7036 12.7036 k = 0.6112-0.7618-0.4634 ( 5130 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1252 -8.1252 -7.9027 -7.9027 -7.2663 -7.2663 -7.0750 -7.0750 -6.9753 -6.9753 -5.2541 -5.2541 -4.3306 -4.3306 0.8882 0.8882 2.3374 2.3374 4.0332 4.0332 4.2684 4.2684 5.1032 5.1032 5.7668 5.7668 8.5285 8.5285 11.0636 11.0636 12.3649 12.3649 12.6450 12.6450 k = 0.6297-0.7535-0.4583 ( 5128 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1251 -8.1251 -7.9027 -7.9027 -7.2663 -7.2663 -7.0750 -7.0750 -6.9753 -6.9753 -5.2549 -5.2549 -4.3300 -4.3300 0.8810 0.8810 2.3320 2.3320 4.0476 4.0476 4.2672 4.2672 5.1290 5.1290 5.7722 5.7722 8.4994 8.4994 11.0572 11.0572 12.2954 12.2954 12.5876 12.5876 k = 0.6482-0.7451-0.4532 ( 5133 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1250 -8.1250 -7.9027 -7.9027 -7.2663 -7.2663 -7.0750 -7.0750 -6.9753 -6.9753 -5.2558 -5.2558 -4.3292 -4.3292 0.8732 0.8732 2.3259 2.3259 4.0637 4.0637 4.2661 4.2661 5.1577 5.1577 5.7783 5.7783 8.4672 8.4672 11.0466 11.0466 12.2256 12.2256 12.5344 12.5344 k = 0.6668-0.7368-0.4482 ( 5142 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1250 -8.1250 -7.9027 -7.9027 -7.2662 -7.2662 -7.0750 -7.0750 -6.9753 -6.9753 -5.2569 -5.2569 -4.3284 -4.3284 0.8649 0.8649 2.3191 2.3191 4.0811 4.0811 4.2652 4.2652 5.1890 5.1890 5.7848 5.7848 8.4325 8.4325 11.0307 11.0307 12.1569 12.1569 12.4876 12.4876 k = 0.6853-0.7285-0.4431 ( 5148 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3334 -16.3334 -8.1249 -8.1249 -7.9027 -7.9027 -7.2662 -7.2662 -7.0750 -7.0750 -6.9754 -6.9754 -5.2582 -5.2582 -4.3276 -4.3276 0.8565 0.8565 2.3118 2.3118 4.0992 4.0992 4.2649 4.2649 5.2224 5.2224 5.7918 5.7918 8.3958 8.3958 11.0091 11.0091 12.0903 12.0903 12.4490 12.4490 k = 0.7038-0.7201-0.4380 ( 5140 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1248 -8.1248 -7.9027 -7.9027 -7.2662 -7.2662 -7.0750 -7.0750 -6.9754 -6.9754 -5.2595 -5.2595 -4.3266 -4.3266 0.8479 0.8479 2.3041 2.3041 4.1174 4.1174 4.2654 4.2654 5.2576 5.2576 5.7991 5.7991 8.3578 8.3578 10.9814 10.9814 12.0264 12.0264 12.4196 12.4196 k = 0.7224-0.7118-0.4330 ( 5143 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1247 -8.1247 -7.9027 -7.9027 -7.2662 -7.2662 -7.0750 -7.0750 -6.9755 -6.9755 -5.2611 -5.2611 -4.3256 -4.3256 0.8395 0.8395 2.2960 2.2960 4.1351 4.1351 4.2671 4.2671 5.2939 5.2939 5.8066 5.8066 8.3192 8.3192 10.9479 10.9479 11.9658 11.9658 12.3998 12.3998 k = 0.7409-0.7035-0.4279 ( 5141 PWs) bands (ev): -44.4629 -44.4629 -16.5195 -16.5195 -16.3477 -16.3477 -16.3333 -16.3333 -8.1246 -8.1246 -7.9027 -7.9027 -7.2661 -7.2661 -7.0750 -7.0750 -6.9755 -6.9755 -5.2628 -5.2628 -4.3245 -4.3245 0.8314 0.8314 2.2878 2.2878 4.1514 4.1514 4.2705 4.2705 5.3312 5.3312 5.8142 5.8142 8.2805 8.2805 10.9094 10.9094 11.9089 11.9089 12.3894 12.3894 k = 0.7594-0.6951-0.4228 ( 5140 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1244 -8.1244 -7.9027 -7.9027 -7.2661 -7.2661 -7.0750 -7.0750 -6.9756 -6.9756 -5.2647 -5.2647 -4.3234 -4.3234 0.8238 0.8238 2.2795 2.2795 4.1653 4.1653 4.2761 4.2761 5.3688 5.3688 5.8217 5.8217 8.2423 8.2423 10.8667 10.8667 11.8559 11.8559 12.3876 12.3876 k = 0.7780-0.6868-0.4178 ( 5138 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1243 -8.1243 -7.9027 -7.9027 -7.2660 -7.2660 -7.0750 -7.0750 -6.9756 -6.9756 -5.2668 -5.2668 -4.3223 -4.3223 0.8168 0.8168 2.2713 2.2713 4.1762 4.1762 4.2841 4.2841 5.4063 5.4063 5.8292 5.8292 8.2055 8.2055 10.8213 10.8213 11.8073 11.8073 12.3930 12.3930 k = 0.7965-0.6785-0.4127 ( 5136 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1241 -8.1241 -7.9027 -7.9027 -7.2660 -7.2660 -7.0750 -7.0750 -6.9757 -6.9757 -5.2691 -5.2691 -4.3211 -4.3211 0.8106 0.8106 2.2633 2.2633 4.1840 4.1840 4.2941 4.2941 5.4434 5.4434 5.8364 5.8364 8.1705 8.1705 10.7744 10.7744 11.7634 11.7634 12.4045 12.4045 k = 0.8150-0.6702-0.4076 ( 5139 PWs) bands (ev): -44.4629 -44.4629 -16.5194 -16.5194 -16.3476 -16.3476 -16.3333 -16.3333 -8.1239 -8.1239 -7.9027 -7.9027 -7.2659 -7.2659 -7.0750 -7.0750 -6.9758 -6.9758 -5.2715 -5.2715 -4.3200 -4.3200 0.8052 0.8052 2.2557 2.2557 4.1892 4.1892 4.3052 4.3052 5.4795 5.4795 5.8433 5.8433 8.1380 8.1380 10.7273 10.7273 11.7245 11.7245 12.4204 12.4204 Writing output data file NaInS2.save init_run : 0.57s CPU 0.69s WALL ( 1 calls) electrons : 191.86s CPU 194.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 191.86s CPU 194.16s 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 : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 322 calls) cegterg : 174.42s CPU 176.22s WALL ( 404 calls) Called by sum_band: Called by *egterg: h_psi : 138.81s CPU 140.37s WALL ( 6979 calls) s_psi : 3.23s CPU 3.28s WALL ( 6979 calls) g_psi : 0.19s CPU 0.21s WALL ( 6253 calls) cdiaghg : 34.07s CPU 34.41s WALL ( 6575 calls) cegterg:over : 4.31s CPU 4.39s WALL ( 6253 calls) cegterg:upda : 4.39s CPU 4.37s WALL ( 6253 calls) cegterg:last : 1.96s CPU 1.98s WALL ( 1048 calls) cdiaghg:chol : 1.93s CPU 1.97s WALL ( 6575 calls) cdiaghg:inve : 1.14s CPU 1.09s WALL ( 6575 calls) cdiaghg:para : 1.98s CPU 1.96s WALL ( 13150 calls) Called by h_psi: h_psi:vloc : 131.25s CPU 132.76s WALL ( 6979 calls) h_psi:vnl : 7.38s CPU 7.41s WALL ( 6979 calls) add_vuspsi : 3.79s CPU 3.77s WALL ( 6979 calls) General routines calbec : 3.55s CPU 3.62s WALL ( 6979 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 121.94s CPU 123.45s WALL ( 567132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.21s WALL ( 644 calls) Parallel routines fft_scatter : 32.01s CPU 32.37s WALL ( 567155 calls) PWSCF : 3m27.81s CPU 3m48.56s WALL This run was terminated on: 19:44:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=