Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:41:51 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: ./GexTe2Asx2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 66 55 16 1148 880 147 Max 67 56 17 1150 897 150 Sum 2379 1999 605 41367 32035 5367 bravais-lattice index = 14 lattice parameter (alat) = 25.8228 a.u. unit-cell volume = 1311.3869 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 152.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 25.822846 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.955361 celldm(5)= 0.955361 celldm(6)= 0.955361 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.955361 0.295442 0.000000 ) a(3) = ( 0.955361 0.144349 0.257778 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.233663 -1.895372 ) b(2) = ( 0.000000 3.384757 -1.895372 ) b(3) = ( 0.000000 0.000000 3.879306 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) As 5.00 74.92160 As( 1.00) Te 6.00 127.60000 Te( 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0111111 -0.0359296 -0.0210597), wk = 0.0035971 k( 3) = ( 0.0222222 -0.0718592 -0.0421194), wk = 0.0035971 k( 4) = ( 0.0333333 -0.1077888 -0.0631791), wk = 0.0035971 k( 5) = ( 0.0444444 -0.1437184 -0.0842388), wk = 0.0035971 k( 6) = ( 0.0555556 -0.1796480 -0.1052985), wk = 0.0035971 k( 7) = ( 0.0666667 -0.2155776 -0.1263581), wk = 0.0035971 k( 8) = ( 0.0777778 -0.2515071 -0.1474178), wk = 0.0035971 k( 9) = ( 0.0888889 -0.2874367 -0.1684775), wk = 0.0035971 k( 10) = ( 0.1000000 -0.3233663 -0.1895372), wk = 0.0035971 k( 11) = ( 0.1111111 -0.3592959 -0.2105969), wk = 0.0035971 k( 12) = ( 0.1222222 -0.3952255 -0.2316566), wk = 0.0035971 k( 13) = ( 0.1333333 -0.4311551 -0.2527163), wk = 0.0035971 k( 14) = ( 0.1444444 -0.4670847 -0.2737760), wk = 0.0035971 k( 15) = ( 0.1555556 -0.5030143 -0.2948357), wk = 0.0035971 k( 16) = ( 0.1666667 -0.5389439 -0.3158954), wk = 0.0035971 k( 17) = ( 0.1777778 -0.5748735 -0.3369550), wk = 0.0035971 k( 18) = ( 0.1888889 -0.6108031 -0.3580147), wk = 0.0035971 k( 19) = ( 0.2000000 -0.6467327 -0.3790744), wk = 0.0035971 k( 20) = ( 0.2111111 -0.6826622 -0.4001341), wk = 0.0035971 k( 21) = ( 0.2222222 -0.7185918 -0.4211938), wk = 0.0035971 k( 22) = ( 0.2333333 -0.7545214 -0.4422535), wk = 0.0035971 k( 23) = ( 0.2444444 -0.7904510 -0.4633132), wk = 0.0035971 k( 24) = ( 0.2555556 -0.8263806 -0.4843729), wk = 0.0035971 k( 25) = ( 0.2666667 -0.8623102 -0.5054326), wk = 0.0035971 k( 26) = ( 0.2777778 -0.8982398 -0.5264923), wk = 0.0035971 k( 27) = ( 0.2888889 -0.9341694 -0.5475519), wk = 0.0035971 k( 28) = ( 0.3000000 -0.9700990 -0.5686116), wk = 0.0035971 k( 29) = ( 0.3111111 -1.0060286 -0.5896713), wk = 0.0035971 k( 30) = ( 0.3222222 -1.0419582 -0.6107310), wk = 0.0035971 k( 31) = ( 0.3333333 -1.0778877 -0.6317907), wk = 0.0035971 k( 32) = ( 0.3444444 -1.1138173 -0.6528504), wk = 0.0035971 k( 33) = ( 0.3555556 -1.1497470 -0.6739101), wk = 0.0035971 k( 34) = ( 0.3666667 -1.1856765 -0.6949698), wk = 0.0035971 k( 35) = ( 0.3777778 -1.2216061 -0.7160295), wk = 0.0035971 k( 36) = ( 0.3888889 -1.2575357 -0.7370892), wk = 0.0035971 k( 37) = ( 0.4000000 -1.2934653 -0.7581488), wk = 0.0035971 k( 38) = ( 0.4111111 -1.3293949 -0.7792085), wk = 0.0035971 k( 39) = ( 0.4222222 -1.3653245 -0.8002682), wk = 0.0035971 k( 40) = ( 0.4333333 -1.4012541 -0.8213279), wk = 0.0035971 k( 41) = ( 0.4444444 -1.4371837 -0.8423876), wk = 0.0035971 k( 42) = ( 0.4555556 -1.4731133 -0.8634473), wk = 0.0035971 k( 43) = ( 0.4666667 -1.5090429 -0.8845070), wk = 0.0035971 k( 44) = ( 0.4777778 -1.5449725 -0.9055667), wk = 0.0035971 k( 45) = ( 0.4888889 -1.5809020 -0.9266264), wk = 0.0035971 k( 46) = ( 0.5000000 -1.6168316 -0.9476861), wk = 0.0035971 k( 47) = ( 0.5000000 -1.6168316 -0.9476861), wk = 0.0035971 k( 48) = ( 0.5000000 -1.5952972 -0.9844256), wk = 0.0035971 k( 49) = ( 0.5000000 -1.5737628 -1.0211651), wk = 0.0035971 k( 50) = ( 0.5000000 -1.5522284 -1.0579046), wk = 0.0035971 k( 51) = ( 0.5000000 -1.5306940 -1.0946441), wk = 0.0035971 k( 52) = ( 0.5000000 -1.5091595 -1.1313836), wk = 0.0035971 k( 53) = ( 0.5000000 -1.4876251 -1.1681231), wk = 0.0035971 k( 54) = ( 0.5000000 -1.4660907 -1.2048627), wk = 0.0035971 k( 55) = ( 0.5000000 -1.4445563 -1.2416021), wk = 0.0035971 k( 56) = ( 0.5000000 -1.4230219 -1.2783417), wk = 0.0035971 k( 57) = ( 0.5000000 -1.4014875 -1.3150812), wk = 0.0035971 k( 58) = ( 0.5000000 -1.3799531 -1.3518207), wk = 0.0035971 k( 59) = ( 0.5000000 -1.3584187 -1.3885602), wk = 0.0035971 k( 60) = ( 0.5000000 -1.3368842 -1.4252997), wk = 0.0035971 k( 61) = ( 0.5000000 -1.3153498 -1.4620392), wk = 0.0035971 k( 62) = ( 0.5000000 -1.2938154 -1.4987788), wk = 0.0035971 k( 63) = ( 0.5000000 -1.2722810 -1.5355182), wk = 0.0035971 k( 64) = ( 0.5000000 -1.2507466 -1.5722578), wk = 0.0035971 k( 65) = ( 0.5000000 -1.2292122 -1.6089973), wk = 0.0035971 k( 66) = ( 0.5000000 -1.2076777 -1.6457368), wk = 0.0035971 k( 67) = ( 0.5000000 -1.1861433 -1.6824763), wk = 0.0035971 k( 68) = ( 0.5000000 -1.1646089 -1.7192158), wk = 0.0035971 k( 69) = ( 0.5000000 -1.1430745 -1.7559554), wk = 0.0035971 k( 70) = ( 0.5000000 -1.1215401 -1.7926948), wk = 0.0035971 k( 71) = ( 0.5000000 -1.1000056 -1.8294344), wk = 0.0035971 k( 72) = ( 0.5000000 -1.0784712 -1.8661739), wk = 0.0035971 k( 73) = ( 0.5000000 -1.0569368 -1.9029134), wk = 0.0035971 k( 74) = ( 0.5000000 -1.0354024 -1.9396529), wk = 0.0035971 k( 75) = ( 0.8282213 -0.9858103 -1.8510913), wk = 0.0035971 k( 76) = ( 0.8217856 -0.9649994 -1.8139272), wk = 0.0035971 k( 77) = ( 0.8153499 -0.9441885 -1.7767630), wk = 0.0035971 k( 78) = ( 0.8089141 -0.9233776 -1.7395989), wk = 0.0035971 k( 79) = ( 0.8024784 -0.9025666 -1.7024347), wk = 0.0035971 k( 80) = ( 0.7960427 -0.8817557 -1.6652705), wk = 0.0035971 k( 81) = ( 0.7896070 -0.8609448 -1.6281064), wk = 0.0035971 k( 82) = ( 0.7831713 -0.8401339 -1.5909422), wk = 0.0035971 k( 83) = ( 0.7767356 -0.8193229 -1.5537780), wk = 0.0035971 k( 84) = ( 0.7702999 -0.7985120 -1.5166139), wk = 0.0035971 k( 85) = ( 0.7638642 -0.7777011 -1.4794497), wk = 0.0035971 k( 86) = ( 0.7574285 -0.7568902 -1.4422856), wk = 0.0035971 k( 87) = ( 0.7509927 -0.7360792 -1.4051214), wk = 0.0035971 k( 88) = ( 0.7445570 -0.7152683 -1.3679572), wk = 0.0035971 k( 89) = ( 0.7381213 -0.6944574 -1.3307931), wk = 0.0035971 k( 90) = ( 0.7316856 -0.6736465 -1.2936289), wk = 0.0035971 k( 91) = ( 0.7252499 -0.6528356 -1.2564648), wk = 0.0035971 k( 92) = ( 0.7188142 -0.6320246 -1.2193006), wk = 0.0035971 k( 93) = ( 0.7123785 -0.6112137 -1.1821365), wk = 0.0035971 k( 94) = ( 0.7059428 -0.5904028 -1.1449723), wk = 0.0035971 k( 95) = ( 0.6995071 -0.5695919 -1.1078082), wk = 0.0035971 k( 96) = ( 0.6930713 -0.5487809 -1.0706440), wk = 0.0035971 k( 97) = ( 0.6866356 -0.5279700 -1.0334798), wk = 0.0035971 k( 98) = ( 0.6801999 -0.5071591 -0.9963156), wk = 0.0035971 k( 99) = ( 0.6737642 -0.4863482 -0.9591515), wk = 0.0035971 k( 100) = ( 0.6673285 -0.4655373 -0.9219873), wk = 0.0035971 k( 101) = ( 0.6608928 -0.4447263 -0.8848232), wk = 0.0035971 k( 102) = ( 0.6544571 -0.4239154 -0.8476590), wk = 0.0035971 k( 103) = ( 0.6480214 -0.4031045 -0.8104949), wk = 0.0035971 k( 104) = ( 0.6415857 -0.3822936 -0.7733307), wk = 0.0035971 k( 105) = ( 0.6351499 -0.3614826 -0.7361665), wk = 0.0035971 k( 106) = ( 0.6287142 -0.3406717 -0.6990024), wk = 0.0035971 k( 107) = ( 0.6222785 -0.3198608 -0.6618382), wk = 0.0035971 k( 108) = ( 0.6158428 -0.2990499 -0.6246741), wk = 0.0035971 k( 109) = ( 0.6094071 -0.2782390 -0.5875099), wk = 0.0035971 k( 110) = ( 0.6029714 -0.2574280 -0.5503458), wk = 0.0035971 k( 111) = ( 0.5965357 -0.2366171 -0.5131816), wk = 0.0035971 k( 112) = ( 0.5901000 -0.2158062 -0.4760175), wk = 0.0035971 k( 113) = ( 0.5836642 -0.1949952 -0.4388532), wk = 0.0035971 k( 114) = ( 0.5772285 -0.1741843 -0.4016891), wk = 0.0035971 k( 115) = ( 0.5707928 -0.1533734 -0.3645249), wk = 0.0035971 k( 116) = ( 0.5643571 -0.1325625 -0.3273608), wk = 0.0035971 k( 117) = ( 0.5579214 -0.1117516 -0.2901966), wk = 0.0035971 k( 118) = ( 0.5514857 -0.0909407 -0.2530325), wk = 0.0035971 k( 119) = ( 0.5450500 -0.0701297 -0.2158683), wk = 0.0035971 k( 120) = ( 0.5386143 -0.0493188 -0.1787042), wk = 0.0035971 k( 121) = ( 0.5321786 -0.0285079 -0.1415400), wk = 0.0035971 k( 122) = ( 0.5257428 -0.0076969 -0.1043758), wk = 0.0035971 k( 123) = ( 0.5193071 0.0131140 -0.0672117), wk = 0.0035971 k( 124) = ( 0.5128714 0.0339249 -0.0300475), wk = 0.0035971 k( 125) = ( 0.5064357 0.0547358 0.0071166), wk = 0.0035971 k( 126) = ( 0.5000000 0.0755467 0.0442808), wk = 0.0035971 k( 127) = ( 0.5000000 0.0755467 0.0442808), wk = 0.0035971 k( 128) = ( 0.4583333 0.0692512 0.0405907), wk = 0.0035971 k( 129) = ( 0.4166667 0.0629556 0.0369007), wk = 0.0035971 k( 130) = ( 0.3750000 0.0566600 0.0332106), wk = 0.0035971 k( 131) = ( 0.3333333 0.0503645 0.0295205), wk = 0.0035971 k( 132) = ( 0.2916667 0.0440689 0.0258305), wk = 0.0035971 k( 133) = ( 0.2500000 0.0377734 0.0221404), wk = 0.0035971 k( 134) = ( 0.2083333 0.0314778 0.0184503), wk = 0.0035971 k( 135) = ( 0.1666667 0.0251822 0.0147603), wk = 0.0035971 k( 136) = ( 0.1250000 0.0188867 0.0110702), wk = 0.0035971 k( 137) = ( 0.0833333 0.0125911 0.0073801), wk = 0.0035971 k( 138) = ( 0.0416667 0.0062956 0.0036901), wk = 0.0035971 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 141) = ( 0.0064594 -0.0208876 -0.0373010), wk = 0.0035971 k( 142) = ( 0.0129188 -0.0417751 -0.0746020), wk = 0.0035971 k( 143) = ( 0.0193782 -0.0626627 -0.1119030), wk = 0.0035971 k( 144) = ( 0.0258376 -0.0835502 -0.1492040), wk = 0.0035971 k( 145) = ( 0.0322971 -0.1044378 -0.1865051), wk = 0.0035971 k( 146) = ( 0.0387565 -0.1253254 -0.2238061), wk = 0.0035971 k( 147) = ( 0.0452159 -0.1462129 -0.2611071), wk = 0.0035971 k( 148) = ( 0.0516753 -0.1671005 -0.2984082), wk = 0.0035971 k( 149) = ( 0.0581347 -0.1879880 -0.3357092), wk = 0.0035971 k( 150) = ( 0.0645941 -0.2088756 -0.3730102), wk = 0.0035971 k( 151) = ( 0.0710535 -0.2297632 -0.4103112), wk = 0.0035971 k( 152) = ( 0.0775129 -0.2506507 -0.4476122), wk = 0.0035971 k( 153) = ( 0.0839723 -0.2715383 -0.4849132), wk = 0.0035971 k( 154) = ( 0.0904318 -0.2924258 -0.5222142), wk = 0.0035971 k( 155) = ( 0.0968912 -0.3133134 -0.5595152), wk = 0.0035971 k( 156) = ( 0.1033506 -0.3342009 -0.5968163), wk = 0.0035971 k( 157) = ( 0.1098100 -0.3550885 -0.6341173), wk = 0.0035971 k( 158) = ( 0.1162694 -0.3759761 -0.6714183), wk = 0.0035971 k( 159) = ( 0.1227288 -0.3968636 -0.7087193), wk = 0.0035971 k( 160) = ( 0.1291882 -0.4177512 -0.7460204), wk = 0.0035971 k( 161) = ( 0.1356476 -0.4386388 -0.7833214), wk = 0.0035971 k( 162) = ( 0.1421070 -0.4595263 -0.8206224), wk = 0.0035971 k( 163) = ( 0.1485664 -0.4804139 -0.8579234), wk = 0.0035971 k( 164) = ( 0.1550259 -0.5013014 -0.8952244), wk = 0.0035971 k( 165) = ( 0.1614853 -0.5221890 -0.9325254), wk = 0.0035971 k( 166) = ( 0.1679447 -0.5430765 -0.9698264), wk = 0.0035971 k( 167) = ( 0.1744041 -0.5639641 -1.0071274), wk = 0.0035971 k( 168) = ( 0.1808635 -0.5848517 -1.0444285), wk = 0.0035971 k( 169) = ( 0.1873229 -0.6057392 -1.0817295), wk = 0.0035971 k( 170) = ( 0.1937823 -0.6266268 -1.1190305), wk = 0.0035971 k( 171) = ( 0.2002417 -0.6475144 -1.1563316), wk = 0.0035971 k( 172) = ( 0.2067012 -0.6684019 -1.1936326), wk = 0.0035971 k( 173) = ( 0.2131606 -0.6892895 -1.2309336), wk = 0.0035971 k( 174) = ( 0.2196200 -0.7101770 -1.2682346), wk = 0.0035971 k( 175) = ( 0.2260794 -0.7310646 -1.3055356), wk = 0.0035971 k( 176) = ( 0.2325388 -0.7519521 -1.3428366), wk = 0.0035971 k( 177) = ( 0.2389982 -0.7728397 -1.3801376), wk = 0.0035971 k( 178) = ( 0.2454576 -0.7937273 -1.4174386), wk = 0.0035971 k( 179) = ( 0.2519170 -0.8146148 -1.4547397), wk = 0.0035971 k( 180) = ( 0.2583764 -0.8355024 -1.4920407), wk = 0.0035971 k( 181) = ( 0.2648358 -0.8563900 -1.5293417), wk = 0.0035971 k( 182) = ( 0.2712953 -0.8772775 -1.5666427), wk = 0.0035971 k( 183) = ( 0.2777547 -0.8981651 -1.6039438), wk = 0.0035971 k( 184) = ( 0.2842141 -0.9190526 -1.6412448), wk = 0.0035971 k( 185) = ( 0.2906735 -0.9399402 -1.6785458), wk = 0.0035971 k( 186) = ( 0.2971329 -0.9608277 -1.7158468), wk = 0.0035971 k( 187) = ( 0.3035923 -0.9817153 -1.7531478), wk = 0.0035971 k( 188) = ( 0.3100517 -1.0026029 -1.7904488), wk = 0.0035971 k( 189) = ( 0.3165111 -1.0234904 -1.8277498), wk = 0.0035971 k( 190) = ( 0.3229705 -1.0443780 -1.8650508), wk = 0.0035971 k( 191) = ( 0.3294300 -1.0652655 -1.9023519), wk = 0.0035971 k( 192) = ( 0.3358894 -1.0861531 -1.9396529), wk = 0.0035971 k( 193) = ( 0.6641106 -1.0106063 -1.8953721), wk = 0.0035971 k( 194) = ( 0.6577987 -0.9688313 -1.8953721), wk = 0.0035971 k( 195) = ( 0.6514867 -0.9270561 -1.8953721), wk = 0.0035971 k( 196) = ( 0.6451748 -0.8852810 -1.8953721), wk = 0.0035971 k( 197) = ( 0.6388628 -0.8435059 -1.8953721), wk = 0.0035971 k( 198) = ( 0.6325509 -0.8017308 -1.8953721), wk = 0.0035971 k( 199) = ( 0.6262389 -0.7599557 -1.8953721), wk = 0.0035971 k( 200) = ( 0.6199270 -0.7181805 -1.8953721), wk = 0.0035971 k( 201) = ( 0.6136151 -0.6764054 -1.8953721), wk = 0.0035971 k( 202) = ( 0.6073031 -0.6346303 -1.8953721), wk = 0.0035971 k( 203) = ( 0.6009912 -0.5928552 -1.8953721), wk = 0.0035971 k( 204) = ( 0.5946792 -0.5510800 -1.8953721), wk = 0.0035971 k( 205) = ( 0.5883673 -0.5093049 -1.8953721), wk = 0.0035971 k( 206) = ( 0.5820553 -0.4675298 -1.8953721), wk = 0.0035971 k( 207) = ( 0.5757434 -0.4257547 -1.8953721), wk = 0.0035971 k( 208) = ( 0.5694314 -0.3839796 -1.8953721), wk = 0.0035971 k( 209) = ( 0.5631195 -0.3422044 -1.8953721), wk = 0.0035971 k( 210) = ( 0.5568075 -0.3004294 -1.8953721), wk = 0.0035971 k( 211) = ( 0.5504956 -0.2586542 -1.8953721), wk = 0.0035971 k( 212) = ( 0.5441836 -0.2168791 -1.8953721), wk = 0.0035971 k( 213) = ( 0.5378717 -0.1751040 -1.8953721), wk = 0.0035971 k( 214) = ( 0.5315597 -0.1333289 -1.8953721), wk = 0.0035971 k( 215) = ( 0.5252478 -0.0915537 -1.8953721), wk = 0.0035971 k( 216) = ( 0.5189358 -0.0497786 -1.8953721), wk = 0.0035971 k( 217) = ( 0.5126239 -0.0080035 -1.8953721), wk = 0.0035971 k( 218) = ( 0.5063119 0.0337716 -1.8953721), wk = 0.0035971 k( 219) = ( 0.5000000 0.0755467 -1.8953721), wk = 0.0035971 k( 220) = ( 0.5000000 0.0755467 -1.8953721), wk = 0.0035971 k( 221) = ( 0.5410277 0.0817457 -1.8843019), wk = 0.0035971 k( 222) = ( 0.5820553 0.0879448 -1.8732317), wk = 0.0035971 k( 223) = ( 0.6230830 0.0941438 -1.8621615), wk = 0.0035971 k( 224) = ( 0.6641106 0.1003428 -1.8510913), wk = 0.0035971 k( 225) = ( 0.6641106 0.1003428 -1.8510913), wk = 0.0035971 k( 226) = ( 0.6603809 0.0997792 -1.8080147), wk = 0.0035971 k( 227) = ( 0.6566511 0.0992157 -1.7649380), wk = 0.0035971 k( 228) = ( 0.6529213 0.0986521 -1.7218614), wk = 0.0035971 k( 229) = ( 0.6491915 0.0980886 -1.6787848), wk = 0.0035971 k( 230) = ( 0.6454617 0.0975250 -1.6357081), wk = 0.0035971 k( 231) = ( 0.6417319 0.0969615 -1.5926315), wk = 0.0035971 k( 232) = ( 0.6380021 0.0963980 -1.5495548), wk = 0.0035971 k( 233) = ( 0.6342723 0.0958344 -1.5064782), wk = 0.0035971 k( 234) = ( 0.6305426 0.0952709 -1.4634016), wk = 0.0035971 k( 235) = ( 0.6268128 0.0947073 -1.4203249), wk = 0.0035971 k( 236) = ( 0.6230830 0.0941438 -1.3772483), wk = 0.0035971 k( 237) = ( 0.6193532 0.0935802 -1.3341717), wk = 0.0035971 k( 238) = ( 0.6156234 0.0930167 -1.2910950), wk = 0.0035971 k( 239) = ( 0.6118936 0.0924531 -1.2480184), wk = 0.0035971 k( 240) = ( 0.6081638 0.0918896 -1.2049417), wk = 0.0035971 k( 241) = ( 0.6044340 0.0913260 -1.1618651), wk = 0.0035971 k( 242) = ( 0.6007043 0.0907625 -1.1187885), wk = 0.0035971 k( 243) = ( 0.5969745 0.0901989 -1.0757118), wk = 0.0035971 k( 244) = ( 0.5932447 0.0896354 -1.0326352), wk = 0.0035971 k( 245) = ( 0.5895149 0.0890718 -0.9895585), wk = 0.0035971 k( 246) = ( 0.5857851 0.0885083 -0.9464819), wk = 0.0035971 k( 247) = ( 0.5820553 0.0879448 -0.9034053), wk = 0.0035971 k( 248) = ( 0.5783255 0.0873812 -0.8603286), wk = 0.0035971 k( 249) = ( 0.5745957 0.0868177 -0.8172520), wk = 0.0035971 k( 250) = ( 0.5708660 0.0862541 -0.7741754), wk = 0.0035971 k( 251) = ( 0.5671362 0.0856906 -0.7310987), wk = 0.0035971 k( 252) = ( 0.5634064 0.0851270 -0.6880221), wk = 0.0035971 k( 253) = ( 0.5596766 0.0845635 -0.6449454), wk = 0.0035971 k( 254) = ( 0.5559468 0.0839999 -0.6018688), wk = 0.0035971 k( 255) = ( 0.5522170 0.0834364 -0.5587922), wk = 0.0035971 k( 256) = ( 0.5484872 0.0828728 -0.5157155), wk = 0.0035971 k( 257) = ( 0.5447574 0.0823093 -0.4726389), wk = 0.0035971 k( 258) = ( 0.5410277 0.0817457 -0.4295623), wk = 0.0035971 k( 259) = ( 0.5372979 0.0811822 -0.3864856), wk = 0.0035971 k( 260) = ( 0.5335681 0.0806186 -0.3434089), wk = 0.0035971 k( 261) = ( 0.5298383 0.0800551 -0.3003323), wk = 0.0035971 k( 262) = ( 0.5261085 0.0794916 -0.2572557), wk = 0.0035971 k( 263) = ( 0.5223787 0.0789280 -0.2141790), wk = 0.0035971 k( 264) = ( 0.5186489 0.0783645 -0.1711024), wk = 0.0035971 k( 265) = ( 0.5149191 0.0778009 -0.1280258), wk = 0.0035971 k( 266) = ( 0.5111894 0.0772374 -0.0849491), wk = 0.0035971 k( 267) = ( 0.5074596 0.0766738 -0.0418725), wk = 0.0035971 k( 268) = ( 0.5037298 0.0761103 0.0012042), wk = 0.0035971 k( 269) = ( 0.5000000 0.0755467 0.0442808), wk = 0.0035971 k( 270) = ( 0.5000000 -1.6168316 -0.9476861), wk = 0.0035971 k( 271) = ( 0.5410277 -1.6073883 -0.9421510), wk = 0.0035971 k( 272) = ( 0.5820553 -1.5979450 -0.9366159), wk = 0.0035971 k( 273) = ( 0.6230830 -1.5885016 -0.9310808), wk = 0.0035971 k( 274) = ( 0.6641106 -1.5790583 -0.9255457), wk = 0.0035971 k( 275) = ( 0.7051383 -1.5696149 -0.9200106), wk = 0.0035971 k( 276) = ( 0.7461659 -1.5601716 -0.9144755), wk = 0.0035971 k( 277) = ( 0.7871936 -1.5507282 -0.9089404), wk = 0.0035971 k( 278) = ( 0.8282213 -1.5412849 -0.9034053), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0035971 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0035971 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0035971 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0035971 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0035971 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0035971 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0035971 k( 16) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0035971 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0035971 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0035971 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0035971 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0035971 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0035971 k( 22) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0035971 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0035971 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0035971 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0035971 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0035971 k( 27) = ( 0.2888889 0.0000000 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0035971 k( 30) = ( 0.3222222 0.0000000 -0.0000000), wk = 0.0035971 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035971 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0035971 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0035971 k( 34) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0035971 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0035971 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0035971 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0035971 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0035971 k( 40) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0035971 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0035971 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0035971 k( 43) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0035971 k( 44) = ( 0.4777778 0.0000000 -0.0000000), wk = 0.0035971 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0035971 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 48) = ( 0.5000000 0.0063622 -0.0063622), wk = 0.0035971 k( 49) = ( 0.5000000 0.0127243 -0.0127244), wk = 0.0035971 k( 50) = ( 0.5000000 0.0190865 -0.0190865), wk = 0.0035971 k( 51) = ( 0.5000000 0.0254487 -0.0254487), wk = 0.0035971 k( 52) = ( 0.5000000 0.0318109 -0.0318109), wk = 0.0035971 k( 53) = ( 0.5000000 0.0381731 -0.0381731), wk = 0.0035971 k( 54) = ( 0.5000000 0.0445352 -0.0445352), wk = 0.0035971 k( 55) = ( 0.5000000 0.0508974 -0.0508974), wk = 0.0035971 k( 56) = ( 0.5000000 0.0572596 -0.0572596), wk = 0.0035971 k( 57) = ( 0.5000000 0.0636217 -0.0636218), wk = 0.0035971 k( 58) = ( 0.5000000 0.0699839 -0.0699839), wk = 0.0035971 k( 59) = ( 0.5000000 0.0763461 -0.0763461), wk = 0.0035971 k( 60) = ( 0.5000000 0.0827083 -0.0827083), wk = 0.0035971 k( 61) = ( 0.5000000 0.0890705 -0.0890704), wk = 0.0035971 k( 62) = ( 0.5000000 0.0954326 -0.0954326), wk = 0.0035971 k( 63) = ( 0.5000000 0.1017948 -0.1017948), wk = 0.0035971 k( 64) = ( 0.5000000 0.1081570 -0.1081570), wk = 0.0035971 k( 65) = ( 0.5000000 0.1145192 -0.1145192), wk = 0.0035971 k( 66) = ( 0.5000000 0.1208813 -0.1208813), wk = 0.0035971 k( 67) = ( 0.5000000 0.1272435 -0.1272435), wk = 0.0035971 k( 68) = ( 0.5000000 0.1336057 -0.1336057), wk = 0.0035971 k( 69) = ( 0.5000000 0.1399679 -0.1399679), wk = 0.0035971 k( 70) = ( 0.5000000 0.1463300 -0.1463300), wk = 0.0035971 k( 71) = ( 0.5000000 0.1526922 -0.1526922), wk = 0.0035971 k( 72) = ( 0.5000000 0.1590544 -0.1590544), wk = 0.0035971 k( 73) = ( 0.5000000 0.1654166 -0.1654166), wk = 0.0035971 k( 74) = ( 0.5000000 0.1717787 -0.1717787), wk = 0.0035971 k( 75) = ( 0.8282213 0.5000000 0.1717787), wk = 0.0035971 k( 76) = ( 0.8217856 0.5000000 0.1782144), wk = 0.0035971 k( 77) = ( 0.8153499 0.5000000 0.1846502), wk = 0.0035971 k( 78) = ( 0.8089141 0.5000000 0.1910859), wk = 0.0035971 k( 79) = ( 0.8024784 0.5000000 0.1975216), wk = 0.0035971 k( 80) = ( 0.7960427 0.5000000 0.2039573), wk = 0.0035971 k( 81) = ( 0.7896070 0.5000000 0.2103930), wk = 0.0035971 k( 82) = ( 0.7831713 0.5000000 0.2168287), wk = 0.0035971 k( 83) = ( 0.7767356 0.5000000 0.2232644), wk = 0.0035971 k( 84) = ( 0.7702999 0.5000000 0.2297001), wk = 0.0035971 k( 85) = ( 0.7638642 0.5000000 0.2361358), wk = 0.0035971 k( 86) = ( 0.7574285 0.5000000 0.2425715), wk = 0.0035971 k( 87) = ( 0.7509927 0.5000000 0.2490073), wk = 0.0035971 k( 88) = ( 0.7445570 0.5000000 0.2554430), wk = 0.0035971 k( 89) = ( 0.7381213 0.5000000 0.2618787), wk = 0.0035971 k( 90) = ( 0.7316856 0.5000000 0.2683144), wk = 0.0035971 k( 91) = ( 0.7252499 0.5000000 0.2747501), wk = 0.0035971 k( 92) = ( 0.7188142 0.5000000 0.2811858), wk = 0.0035971 k( 93) = ( 0.7123785 0.5000000 0.2876215), wk = 0.0035971 k( 94) = ( 0.7059428 0.5000000 0.2940572), wk = 0.0035971 k( 95) = ( 0.6995071 0.5000000 0.3004929), wk = 0.0035971 k( 96) = ( 0.6930713 0.5000000 0.3069287), wk = 0.0035971 k( 97) = ( 0.6866356 0.5000000 0.3133644), wk = 0.0035971 k( 98) = ( 0.6801999 0.5000000 0.3198001), wk = 0.0035971 k( 99) = ( 0.6737642 0.5000000 0.3262358), wk = 0.0035971 k( 100) = ( 0.6673285 0.5000000 0.3326715), wk = 0.0035971 k( 101) = ( 0.6608928 0.5000000 0.3391072), wk = 0.0035971 k( 102) = ( 0.6544571 0.5000000 0.3455429), wk = 0.0035971 k( 103) = ( 0.6480214 0.5000000 0.3519786), wk = 0.0035971 k( 104) = ( 0.6415857 0.5000000 0.3584143), wk = 0.0035971 k( 105) = ( 0.6351499 0.5000000 0.3648501), wk = 0.0035971 k( 106) = ( 0.6287142 0.5000000 0.3712858), wk = 0.0035971 k( 107) = ( 0.6222785 0.5000000 0.3777215), wk = 0.0035971 k( 108) = ( 0.6158428 0.5000000 0.3841572), wk = 0.0035971 k( 109) = ( 0.6094071 0.5000000 0.3905929), wk = 0.0035971 k( 110) = ( 0.6029714 0.5000000 0.3970286), wk = 0.0035971 k( 111) = ( 0.5965357 0.5000000 0.4034643), wk = 0.0035971 k( 112) = ( 0.5901000 0.5000000 0.4099000), wk = 0.0035971 k( 113) = ( 0.5836642 0.5000000 0.4163358), wk = 0.0035971 k( 114) = ( 0.5772285 0.5000000 0.4227715), wk = 0.0035971 k( 115) = ( 0.5707928 0.5000000 0.4292072), wk = 0.0035971 k( 116) = ( 0.5643571 0.5000000 0.4356429), wk = 0.0035971 k( 117) = ( 0.5579214 0.5000000 0.4420786), wk = 0.0035971 k( 118) = ( 0.5514857 0.5000000 0.4485143), wk = 0.0035971 k( 119) = ( 0.5450500 0.5000000 0.4549500), wk = 0.0035971 k( 120) = ( 0.5386143 0.5000000 0.4613857), wk = 0.0035971 k( 121) = ( 0.5321786 0.5000000 0.4678214), wk = 0.0035971 k( 122) = ( 0.5257428 0.5000000 0.4742572), wk = 0.0035971 k( 123) = ( 0.5193071 0.5000000 0.4806929), wk = 0.0035971 k( 124) = ( 0.5128714 0.5000000 0.4871286), wk = 0.0035971 k( 125) = ( 0.5064357 0.5000000 0.4935643), wk = 0.0035971 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 128) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0035971 k( 129) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0035971 k( 130) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0035971 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0035971 k( 132) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0035971 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035971 k( 134) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0035971 k( 135) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0035971 k( 136) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0035971 k( 137) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0035971 k( 138) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0035971 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 141) = ( 0.0064594 0.0000000 -0.0064594), wk = 0.0035971 k( 142) = ( 0.0129188 0.0000000 -0.0129188), wk = 0.0035971 k( 143) = ( 0.0193782 -0.0000000 -0.0193782), wk = 0.0035971 k( 144) = ( 0.0258376 0.0000000 -0.0258376), wk = 0.0035971 k( 145) = ( 0.0322971 0.0000000 -0.0322971), wk = 0.0035971 k( 146) = ( 0.0387565 0.0000000 -0.0387565), wk = 0.0035971 k( 147) = ( 0.0452159 0.0000000 -0.0452159), wk = 0.0035971 k( 148) = ( 0.0516753 0.0000000 -0.0516753), wk = 0.0035971 k( 149) = ( 0.0581347 -0.0000000 -0.0581347), wk = 0.0035971 k( 150) = ( 0.0645941 0.0000000 -0.0645941), wk = 0.0035971 k( 151) = ( 0.0710535 0.0000000 -0.0710535), wk = 0.0035971 k( 152) = ( 0.0775129 0.0000000 -0.0775129), wk = 0.0035971 k( 153) = ( 0.0839723 0.0000000 -0.0839723), wk = 0.0035971 k( 154) = ( 0.0904318 0.0000000 -0.0904318), wk = 0.0035971 k( 155) = ( 0.0968912 -0.0000000 -0.0968912), wk = 0.0035971 k( 156) = ( 0.1033506 0.0000000 -0.1033506), wk = 0.0035971 k( 157) = ( 0.1098100 0.0000000 -0.1098100), wk = 0.0035971 k( 158) = ( 0.1162694 -0.0000000 -0.1162694), wk = 0.0035971 k( 159) = ( 0.1227288 -0.0000000 -0.1227288), wk = 0.0035971 k( 160) = ( 0.1291882 0.0000000 -0.1291882), wk = 0.0035971 k( 161) = ( 0.1356476 -0.0000000 -0.1356476), wk = 0.0035971 k( 162) = ( 0.1421070 0.0000000 -0.1421070), wk = 0.0035971 k( 163) = ( 0.1485664 -0.0000000 -0.1485664), wk = 0.0035971 k( 164) = ( 0.1550259 0.0000000 -0.1550259), wk = 0.0035971 k( 165) = ( 0.1614853 -0.0000000 -0.1614853), wk = 0.0035971 k( 166) = ( 0.1679447 0.0000000 -0.1679447), wk = 0.0035971 k( 167) = ( 0.1744041 0.0000000 -0.1744041), wk = 0.0035971 k( 168) = ( 0.1808635 0.0000000 -0.1808635), wk = 0.0035971 k( 169) = ( 0.1873229 -0.0000000 -0.1873229), wk = 0.0035971 k( 170) = ( 0.1937823 0.0000000 -0.1937823), wk = 0.0035971 k( 171) = ( 0.2002417 -0.0000000 -0.2002417), wk = 0.0035971 k( 172) = ( 0.2067012 0.0000000 -0.2067012), wk = 0.0035971 k( 173) = ( 0.2131606 -0.0000000 -0.2131606), wk = 0.0035971 k( 174) = ( 0.2196200 0.0000000 -0.2196200), wk = 0.0035971 k( 175) = ( 0.2260794 0.0000000 -0.2260794), wk = 0.0035971 k( 176) = ( 0.2325388 0.0000000 -0.2325388), wk = 0.0035971 k( 177) = ( 0.2389982 0.0000000 -0.2389982), wk = 0.0035971 k( 178) = ( 0.2454576 -0.0000000 -0.2454576), wk = 0.0035971 k( 179) = ( 0.2519170 0.0000000 -0.2519170), wk = 0.0035971 k( 180) = ( 0.2583764 0.0000000 -0.2583764), wk = 0.0035971 k( 181) = ( 0.2648358 -0.0000000 -0.2648359), wk = 0.0035971 k( 182) = ( 0.2712953 -0.0000000 -0.2712953), wk = 0.0035971 k( 183) = ( 0.2777547 0.0000000 -0.2777547), wk = 0.0035971 k( 184) = ( 0.2842141 0.0000000 -0.2842141), wk = 0.0035971 k( 185) = ( 0.2906735 0.0000000 -0.2906735), wk = 0.0035971 k( 186) = ( 0.2971329 -0.0000000 -0.2971329), wk = 0.0035971 k( 187) = ( 0.3035923 0.0000000 -0.3035923), wk = 0.0035971 k( 188) = ( 0.3100517 0.0000000 -0.3100517), wk = 0.0035971 k( 189) = ( 0.3165111 0.0000000 -0.3165111), wk = 0.0035971 k( 190) = ( 0.3229705 -0.0000000 -0.3229705), wk = 0.0035971 k( 191) = ( 0.3294300 0.0000000 -0.3294300), wk = 0.0035971 k( 192) = ( 0.3358894 0.0000000 -0.3358894), wk = 0.0035971 k( 193) = ( 0.6641106 0.3358894 -0.0000000), wk = 0.0035971 k( 194) = ( 0.6577987 0.3422013 -0.0000000), wk = 0.0035971 k( 195) = ( 0.6514867 0.3485133 -0.0000000), wk = 0.0035971 k( 196) = ( 0.6451748 0.3548252 -0.0000000), wk = 0.0035971 k( 197) = ( 0.6388628 0.3611372 -0.0000000), wk = 0.0035971 k( 198) = ( 0.6325509 0.3674491 -0.0000000), wk = 0.0035971 k( 199) = ( 0.6262389 0.3737611 -0.0000000), wk = 0.0035971 k( 200) = ( 0.6199270 0.3800730 -0.0000000), wk = 0.0035971 k( 201) = ( 0.6136151 0.3863850 -0.0000000), wk = 0.0035971 k( 202) = ( 0.6073031 0.3926969 -0.0000000), wk = 0.0035971 k( 203) = ( 0.6009912 0.3990088 -0.0000000), wk = 0.0035971 k( 204) = ( 0.5946792 0.4053208 -0.0000000), wk = 0.0035971 k( 205) = ( 0.5883673 0.4116327 -0.0000000), wk = 0.0035971 k( 206) = ( 0.5820553 0.4179447 -0.0000000), wk = 0.0035971 k( 207) = ( 0.5757434 0.4242566 -0.0000000), wk = 0.0035971 k( 208) = ( 0.5694314 0.4305686 -0.0000000), wk = 0.0035971 k( 209) = ( 0.5631195 0.4368805 -0.0000000), wk = 0.0035971 k( 210) = ( 0.5568075 0.4431925 -0.0000000), wk = 0.0035971 k( 211) = ( 0.5504956 0.4495044 -0.0000000), wk = 0.0035971 k( 212) = ( 0.5441836 0.4558164 -0.0000000), wk = 0.0035971 k( 213) = ( 0.5378717 0.4621283 -0.0000000), wk = 0.0035971 k( 214) = ( 0.5315597 0.4684403 -0.0000000), wk = 0.0035971 k( 215) = ( 0.5252478 0.4747522 0.0000000), wk = 0.0035971 k( 216) = ( 0.5189358 0.4810642 -0.0000000), wk = 0.0035971 k( 217) = ( 0.5126239 0.4873761 -0.0000000), wk = 0.0035971 k( 218) = ( 0.5063119 0.4936881 -0.0000000), wk = 0.0035971 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035971 k( 221) = ( 0.5410277 0.5410277 0.0429447), wk = 0.0035971 k( 222) = ( 0.5820553 0.5820553 0.0858894), wk = 0.0035971 k( 223) = ( 0.6230830 0.6230830 0.1288341), wk = 0.0035971 k( 224) = ( 0.6641106 0.6641106 0.1717787), wk = 0.0035971 k( 225) = ( 0.6641106 0.6641106 0.1717787), wk = 0.0035971 k( 226) = ( 0.6603809 0.6603809 0.1792383), wk = 0.0035971 k( 227) = ( 0.6566511 0.6566511 0.1866979), wk = 0.0035971 k( 228) = ( 0.6529213 0.6529213 0.1941574), wk = 0.0035971 k( 229) = ( 0.6491915 0.6491915 0.2016170), wk = 0.0035971 k( 230) = ( 0.6454617 0.6454617 0.2090766), wk = 0.0035971 k( 231) = ( 0.6417319 0.6417319 0.2165362), wk = 0.0035971 k( 232) = ( 0.6380021 0.6380021 0.2239957), wk = 0.0035971 k( 233) = ( 0.6342723 0.6342723 0.2314553), wk = 0.0035971 k( 234) = ( 0.6305426 0.6305426 0.2389149), wk = 0.0035971 k( 235) = ( 0.6268128 0.6268128 0.2463745), wk = 0.0035971 k( 236) = ( 0.6230830 0.6230830 0.2538340), wk = 0.0035971 k( 237) = ( 0.6193532 0.6193532 0.2612936), wk = 0.0035971 k( 238) = ( 0.6156234 0.6156234 0.2687532), wk = 0.0035971 k( 239) = ( 0.6118936 0.6118936 0.2762128), wk = 0.0035971 k( 240) = ( 0.6081638 0.6081638 0.2836723), wk = 0.0035971 k( 241) = ( 0.6044340 0.6044340 0.2911319), wk = 0.0035971 k( 242) = ( 0.6007043 0.6007043 0.2985915), wk = 0.0035971 k( 243) = ( 0.5969745 0.5969745 0.3060511), wk = 0.0035971 k( 244) = ( 0.5932447 0.5932447 0.3135106), wk = 0.0035971 k( 245) = ( 0.5895149 0.5895149 0.3209702), wk = 0.0035971 k( 246) = ( 0.5857851 0.5857851 0.3284298), wk = 0.0035971 k( 247) = ( 0.5820553 0.5820553 0.3358894), wk = 0.0035971 k( 248) = ( 0.5783255 0.5783255 0.3433489), wk = 0.0035971 k( 249) = ( 0.5745957 0.5745957 0.3508085), wk = 0.0035971 k( 250) = ( 0.5708660 0.5708660 0.3582681), wk = 0.0035971 k( 251) = ( 0.5671362 0.5671362 0.3657277), wk = 0.0035971 k( 252) = ( 0.5634064 0.5634064 0.3731872), wk = 0.0035971 k( 253) = ( 0.5596766 0.5596766 0.3806468), wk = 0.0035971 k( 254) = ( 0.5559468 0.5559468 0.3881064), wk = 0.0035971 k( 255) = ( 0.5522170 0.5522170 0.3955660), wk = 0.0035971 k( 256) = ( 0.5484872 0.5484872 0.4030255), wk = 0.0035971 k( 257) = ( 0.5447574 0.5447574 0.4104851), wk = 0.0035971 k( 258) = ( 0.5410277 0.5410277 0.4179447), wk = 0.0035971 k( 259) = ( 0.5372979 0.5372979 0.4254043), wk = 0.0035971 k( 260) = ( 0.5335681 0.5335681 0.4328638), wk = 0.0035971 k( 261) = ( 0.5298383 0.5298383 0.4403234), wk = 0.0035971 k( 262) = ( 0.5261085 0.5261085 0.4477830), wk = 0.0035971 k( 263) = ( 0.5223787 0.5223787 0.4552425), wk = 0.0035971 k( 264) = ( 0.5186489 0.5186489 0.4627021), wk = 0.0035971 k( 265) = ( 0.5149191 0.5149192 0.4701617), wk = 0.0035971 k( 266) = ( 0.5111894 0.5111894 0.4776213), wk = 0.0035971 k( 267) = ( 0.5074596 0.5074596 0.4850808), wk = 0.0035971 k( 268) = ( 0.5037298 0.5037298 0.4925404), wk = 0.0035971 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035971 k( 270) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035971 k( 271) = ( 0.5410277 0.0419862 0.0419862), wk = 0.0035971 k( 272) = ( 0.5820553 0.0839723 0.0839723), wk = 0.0035971 k( 273) = ( 0.6230830 0.1259585 0.1259585), wk = 0.0035971 k( 274) = ( 0.6641106 0.1679447 0.1679447), wk = 0.0035971 k( 275) = ( 0.7051383 0.2099309 0.2099308), wk = 0.0035971 k( 276) = ( 0.7461659 0.2519170 0.2519170), wk = 0.0035971 k( 277) = ( 0.7871936 0.2939032 0.2939032), wk = 0.0035971 k( 278) = ( 0.8282213 0.3358894 0.3358894), wk = 0.0035971 Dense grid: 41367 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 32035 G-vectors FFT dimensions: ( 96, 96, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 232, 46) NL pseudopotentials 0.32 Mb ( 116, 178) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.01 Mb ( 1150) G-vector shells 0.01 Mb ( 969) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 232, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.25 Mb ( 178, 2, 46) The potential is recalculated from file : ./GexTe2Asx2.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 8.8 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 13.0 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 17.1 secs Computing kpt #: 8 total cpu time spent up to now is 19.2 secs Computing kpt #: 9 total cpu time spent up to now is 23.5 secs Computing kpt #: 10 total cpu time spent up to now is 25.5 secs Computing kpt #: 11 total cpu time spent up to now is 27.5 secs Computing kpt #: 12 total cpu time spent up to now is 29.5 secs Computing kpt #: 13 total cpu time spent up to now is 31.4 secs Computing kpt #: 14 total cpu time spent up to now is 33.3 secs Computing kpt #: 15 total cpu time spent up to now is 35.2 secs Computing kpt #: 16 total cpu time spent up to now is 37.1 secs Computing kpt #: 17 total cpu time spent up to now is 39.1 secs Computing kpt #: 18 total cpu time spent up to now is 41.0 secs Computing kpt #: 19 total cpu time spent up to now is 42.9 secs Computing kpt #: 20 total cpu time spent up to now is 44.9 secs Computing kpt #: 21 total cpu time spent up to now is 46.8 secs Computing kpt #: 22 total cpu time spent up to now is 48.7 secs Computing kpt #: 23 total cpu time spent up to now is 50.7 secs Computing kpt #: 24 total cpu time spent up to now is 52.7 secs Computing kpt #: 25 total cpu time spent up to now is 54.8 secs Computing kpt #: 26 total cpu time spent up to now is 56.8 secs Computing kpt #: 27 total cpu time spent up to now is 59.1 secs Computing kpt #: 28 total cpu time spent up to now is 61.5 secs Computing kpt #: 29 total cpu time spent up to now is 63.6 secs Computing kpt #: 30 total cpu time spent up to now is 65.5 secs Computing kpt #: 31 total cpu time spent up to now is 67.4 secs Computing kpt #: 32 total cpu time spent up to now is 69.5 secs Computing kpt #: 33 total cpu time spent up to now is 71.9 secs Computing kpt #: 34 total cpu time spent up to now is 74.0 secs Computing kpt #: 35 total cpu time spent up to now is 76.1 secs Computing kpt #: 36 total cpu time spent up to now is 78.1 secs Computing kpt #: 37 total cpu time spent up to now is 80.2 secs Computing kpt #: 38 total cpu time spent up to now is 82.3 secs Computing kpt #: 39 total cpu time spent up to now is 84.1 secs Computing kpt #: 40 total cpu time spent up to now is 85.9 secs Computing kpt #: 41 total cpu time spent up to now is 87.7 secs Computing kpt #: 42 total cpu time spent up to now is 89.5 secs Computing kpt #: 43 total cpu time spent up to now is 91.5 secs Computing kpt #: 44 total cpu time spent up to now is 93.5 secs Computing kpt #: 45 total cpu time spent up to now is 95.7 secs Computing kpt #: 46 total cpu time spent up to now is 97.5 secs Computing kpt #: 47 total cpu time spent up to now is 99.4 secs Computing kpt #: 48 total cpu time spent up to now is 101.2 secs Computing kpt #: 49 total cpu time spent up to now is 102.9 secs Computing kpt #: 50 total cpu time spent up to now is 104.4 secs Computing kpt #: 51 total cpu time spent up to now is 105.9 secs Computing kpt #: 52 total cpu time spent up to now is 107.3 secs Computing kpt #: 53 total cpu time spent up to now is 108.8 secs Computing kpt #: 54 total cpu time spent up to now is 110.3 secs Computing kpt #: 55 total cpu time spent up to now is 111.7 secs Computing kpt #: 56 total cpu time spent up to now is 113.2 secs Computing kpt #: 57 total cpu time spent up to now is 114.6 secs Computing kpt #: 58 total cpu time spent up to now is 116.1 secs Computing kpt #: 59 total cpu time spent up to now is 117.6 secs Computing kpt #: 60 total cpu time spent up to now is 119.0 secs Computing kpt #: 61 total cpu time spent up to now is 120.5 secs Computing kpt #: 62 total cpu time spent up to now is 122.0 secs Computing kpt #: 63 total cpu time spent up to now is 123.5 secs Computing kpt #: 64 total cpu time spent up to now is 124.9 secs Computing kpt #: 65 total cpu time spent up to now is 126.4 secs Computing kpt #: 66 total cpu time spent up to now is 127.9 secs Computing kpt #: 67 total cpu time spent up to now is 129.3 secs Computing kpt #: 68 total cpu time spent up to now is 130.8 secs Computing kpt #: 69 total cpu time spent up to now is 132.3 secs Computing kpt #: 70 total cpu time spent up to now is 133.8 secs Computing kpt #: 71 total cpu time spent up to now is 135.3 secs Computing kpt #: 72 total cpu time spent up to now is 137.9 secs Computing kpt #: 73 total cpu time spent up to now is 139.6 secs Computing kpt #: 74 total cpu time spent up to now is 141.3 secs Computing kpt #: 75 total cpu time spent up to now is 143.0 secs Computing kpt #: 76 total cpu time spent up to now is 144.7 secs Computing kpt #: 77 total cpu time spent up to now is 146.4 secs Computing kpt #: 78 total cpu time spent up to now is 148.2 secs Computing kpt #: 79 total cpu time spent up to now is 149.9 secs Computing kpt #: 80 total cpu time spent up to now is 151.3 secs Computing kpt #: 81 total cpu time spent up to now is 152.8 secs Computing kpt #: 82 total cpu time spent up to now is 154.2 secs Computing kpt #: 83 total cpu time spent up to now is 155.7 secs Computing kpt #: 84 total cpu time spent up to now is 157.1 secs Computing kpt #: 85 total cpu time spent up to now is 158.6 secs Computing kpt #: 86 total cpu time spent up to now is 160.0 secs Computing kpt #: 87 total cpu time spent up to now is 161.5 secs Computing kpt #: 88 total cpu time spent up to now is 162.9 secs Computing kpt #: 89 total cpu time spent up to now is 164.4 secs Computing kpt #: 90 total cpu time spent up to now is 165.9 secs Computing kpt #: 91 total cpu time spent up to now is 167.4 secs Computing kpt #: 92 total cpu time spent up to now is 168.9 secs Computing kpt #: 93 total cpu time spent up to now is 170.3 secs Computing kpt #: 94 total cpu time spent up to now is 171.8 secs Computing kpt #: 95 total cpu time spent up to now is 173.3 secs Computing kpt #: 96 total cpu time spent up to now is 174.8 secs Computing kpt #: 97 total cpu time spent up to now is 176.3 secs Computing kpt #: 98 total cpu time spent up to now is 178.2 secs Computing kpt #: 99 total cpu time spent up to now is 180.1 secs Computing kpt #: 100 total cpu time spent up to now is 182.5 secs Computing kpt #: 101 total cpu time spent up to now is 184.7 secs Computing kpt #: 102 total cpu time spent up to now is 186.6 secs Computing kpt #: 103 total cpu time spent up to now is 188.8 secs Computing kpt #: 104 total cpu time spent up to now is 191.1 secs Computing kpt #: 105 total cpu time spent up to now is 193.5 secs Computing kpt #: 106 total cpu time spent up to now is 195.5 secs Computing kpt #: 107 total cpu time spent up to now is 197.3 secs Computing kpt #: 108 total cpu time spent up to now is 199.1 secs Computing kpt #: 109 total cpu time spent up to now is 201.0 secs Computing kpt #: 110 total cpu time spent up to now is 202.8 secs Computing kpt #: 111 total cpu time spent up to now is 204.7 secs Computing kpt #: 112 total cpu time spent up to now is 206.3 secs Computing kpt #: 113 total cpu time spent up to now is 208.0 secs Computing kpt #: 114 total cpu time spent up to now is 209.7 secs Computing kpt #: 115 total cpu time spent up to now is 211.3 secs Computing kpt #: 116 total cpu time spent up to now is 213.1 secs Computing kpt #: 117 total cpu time spent up to now is 214.8 secs Computing kpt #: 118 total cpu time spent up to now is 216.6 secs Computing kpt #: 119 total cpu time spent up to now is 218.7 secs Computing kpt #: 120 total cpu time spent up to now is 220.7 secs Computing kpt #: 121 total cpu time spent up to now is 222.8 secs Computing kpt #: 122 total cpu time spent up to now is 224.9 secs Computing kpt #: 123 total cpu time spent up to now is 226.7 secs Computing kpt #: 124 total cpu time spent up to now is 228.4 secs Computing kpt #: 125 total cpu time spent up to now is 230.4 secs Computing kpt #: 126 total cpu time spent up to now is 232.2 secs Computing kpt #: 127 total cpu time spent up to now is 234.0 secs Computing kpt #: 128 total cpu time spent up to now is 235.9 secs Computing kpt #: 129 total cpu time spent up to now is 237.7 secs Computing kpt #: 130 total cpu time spent up to now is 239.6 secs Computing kpt #: 131 total cpu time spent up to now is 241.4 secs Computing kpt #: 132 total cpu time spent up to now is 243.3 secs Computing kpt #: 133 total cpu time spent up to now is 245.3 secs Computing kpt #: 134 total cpu time spent up to now is 247.3 secs Computing kpt #: 135 total cpu time spent up to now is 249.3 secs Computing kpt #: 136 total cpu time spent up to now is 251.3 secs Computing kpt #: 137 total cpu time spent up to now is 253.4 secs Computing kpt #: 138 total cpu time spent up to now is 255.4 secs Computing kpt #: 139 total cpu time spent up to now is 257.5 secs Computing kpt #: 140 total cpu time spent up to now is 260.0 secs Computing kpt #: 141 total cpu time spent up to now is 262.1 secs Computing kpt #: 142 total cpu time spent up to now is 264.3 secs Computing kpt #: 143 total cpu time spent up to now is 266.4 secs Computing kpt #: 144 total cpu time spent up to now is 268.5 secs Computing kpt #: 145 total cpu time spent up to now is 270.6 secs Computing kpt #: 146 total cpu time spent up to now is 272.6 secs Computing kpt #: 147 total cpu time spent up to now is 274.7 secs Computing kpt #: 148 total cpu time spent up to now is 276.7 secs Computing kpt #: 149 total cpu time spent up to now is 278.7 secs Computing kpt #: 150 total cpu time spent up to now is 280.5 secs Computing kpt #: 151 total cpu time spent up to now is 282.5 secs Computing kpt #: 152 total cpu time spent up to now is 284.5 secs Computing kpt #: 153 total cpu time spent up to now is 286.6 secs Computing kpt #: 154 total cpu time spent up to now is 288.6 secs Computing kpt #: 155 total cpu time spent up to now is 290.6 secs Computing kpt #: 156 total cpu time spent up to now is 292.5 secs Computing kpt #: 157 total cpu time spent up to now is 294.4 secs Computing kpt #: 158 total cpu time spent up to now is 296.3 secs Computing kpt #: 159 total cpu time spent up to now is 298.4 secs Computing kpt #: 160 total cpu time spent up to now is 300.2 secs Computing kpt #: 161 total cpu time spent up to now is 301.6 secs Computing kpt #: 162 total cpu time spent up to now is 303.1 secs Computing kpt #: 163 total cpu time spent up to now is 304.6 secs Computing kpt #: 164 total cpu time spent up to now is 306.0 secs Computing kpt #: 165 total cpu time spent up to now is 307.5 secs Computing kpt #: 166 total cpu time spent up to now is 309.0 secs Computing kpt #: 167 total cpu time spent up to now is 310.4 secs Computing kpt #: 168 total cpu time spent up to now is 311.9 secs Computing kpt #: 169 total cpu time spent up to now is 313.3 secs Computing kpt #: 170 total cpu time spent up to now is 314.8 secs Computing kpt #: 171 total cpu time spent up to now is 316.2 secs Computing kpt #: 172 total cpu time spent up to now is 317.7 secs Computing kpt #: 173 total cpu time spent up to now is 319.2 secs Computing kpt #: 174 total cpu time spent up to now is 320.6 secs Computing kpt #: 175 total cpu time spent up to now is 322.4 secs Computing kpt #: 176 total cpu time spent up to now is 323.9 secs Computing kpt #: 177 total cpu time spent up to now is 325.8 secs Computing kpt #: 178 total cpu time spent up to now is 327.8 secs Computing kpt #: 179 total cpu time spent up to now is 329.6 secs Computing kpt #: 180 total cpu time spent up to now is 331.4 secs Computing kpt #: 181 total cpu time spent up to now is 333.0 secs Computing kpt #: 182 total cpu time spent up to now is 334.9 secs Computing kpt #: 183 total cpu time spent up to now is 336.7 secs Computing kpt #: 184 total cpu time spent up to now is 338.6 secs Computing kpt #: 185 total cpu time spent up to now is 340.1 secs Computing kpt #: 186 total cpu time spent up to now is 341.6 secs Computing kpt #: 187 total cpu time spent up to now is 345.6 secs Computing kpt #: 188 total cpu time spent up to now is 347.0 secs Computing kpt #: 189 total cpu time spent up to now is 348.5 secs Computing kpt #: 190 total cpu time spent up to now is 349.9 secs Computing kpt #: 191 total cpu time spent up to now is 351.3 secs Computing kpt #: 192 total cpu time spent up to now is 352.7 secs Computing kpt #: 193 total cpu time spent up to now is 354.1 secs Computing kpt #: 194 total cpu time spent up to now is 355.5 secs Computing kpt #: 195 total cpu time spent up to now is 356.9 secs Computing kpt #: 196 total cpu time spent up to now is 358.3 secs Computing kpt #: 197 total cpu time spent up to now is 359.7 secs Computing kpt #: 198 total cpu time spent up to now is 361.1 secs Computing kpt #: 199 total cpu time spent up to now is 362.6 secs Computing kpt #: 200 total cpu time spent up to now is 364.0 secs Computing kpt #: 201 total cpu time spent up to now is 365.5 secs Computing kpt #: 202 total cpu time spent up to now is 367.0 secs Computing kpt #: 203 total cpu time spent up to now is 368.5 secs Computing kpt #: 204 total cpu time spent up to now is 370.2 secs Computing kpt #: 205 total cpu time spent up to now is 372.0 secs Computing kpt #: 206 total cpu time spent up to now is 373.8 secs Computing kpt #: 207 total cpu time spent up to now is 375.6 secs Computing kpt #: 208 total cpu time spent up to now is 377.5 secs Computing kpt #: 209 total cpu time spent up to now is 379.5 secs Computing kpt #: 210 total cpu time spent up to now is 381.5 secs Computing kpt #: 211 total cpu time spent up to now is 383.5 secs Computing kpt #: 212 total cpu time spent up to now is 385.5 secs Computing kpt #: 213 total cpu time spent up to now is 387.8 secs Computing kpt #: 214 total cpu time spent up to now is 389.8 secs Computing kpt #: 215 total cpu time spent up to now is 392.1 secs Computing kpt #: 216 total cpu time spent up to now is 394.1 secs Computing kpt #: 217 total cpu time spent up to now is 396.0 secs Computing kpt #: 218 total cpu time spent up to now is 398.0 secs Computing kpt #: 219 total cpu time spent up to now is 401.0 secs Computing kpt #: 220 total cpu time spent up to now is 403.0 secs Computing kpt #: 221 total cpu time spent up to now is 404.7 secs Computing kpt #: 222 total cpu time spent up to now is 406.2 secs Computing kpt #: 223 total cpu time spent up to now is 407.7 secs Computing kpt #: 224 total cpu time spent up to now is 409.2 secs Computing kpt #: 225 total cpu time spent up to now is 410.7 secs Computing kpt #: 226 total cpu time spent up to now is 412.2 secs Computing kpt #: 227 total cpu time spent up to now is 413.6 secs Computing kpt #: 228 total cpu time spent up to now is 415.1 secs Computing kpt #: 229 total cpu time spent up to now is 416.6 secs Computing kpt #: 230 total cpu time spent up to now is 418.1 secs Computing kpt #: 231 total cpu time spent up to now is 419.6 secs Computing kpt #: 232 total cpu time spent up to now is 421.1 secs Computing kpt #: 233 total cpu time spent up to now is 422.5 secs Computing kpt #: 234 total cpu time spent up to now is 424.0 secs Computing kpt #: 235 total cpu time spent up to now is 425.8 secs Computing kpt #: 236 total cpu time spent up to now is 427.5 secs Computing kpt #: 237 total cpu time spent up to now is 429.4 secs Computing kpt #: 238 total cpu time spent up to now is 431.1 secs Computing kpt #: 239 total cpu time spent up to now is 433.0 secs Computing kpt #: 240 total cpu time spent up to now is 434.8 secs Computing kpt #: 241 total cpu time spent up to now is 438.1 secs Computing kpt #: 242 total cpu time spent up to now is 440.0 secs Computing kpt #: 243 total cpu time spent up to now is 441.8 secs Computing kpt #: 244 total cpu time spent up to now is 443.7 secs Computing kpt #: 245 total cpu time spent up to now is 445.7 secs Computing kpt #: 246 total cpu time spent up to now is 447.7 secs Computing kpt #: 247 total cpu time spent up to now is 449.6 secs Computing kpt #: 248 total cpu time spent up to now is 451.6 secs Computing kpt #: 249 total cpu time spent up to now is 453.5 secs Computing kpt #: 250 total cpu time spent up to now is 455.5 secs Computing kpt #: 251 total cpu time spent up to now is 457.4 secs Computing kpt #: 252 total cpu time spent up to now is 459.3 secs Computing kpt #: 253 total cpu time spent up to now is 461.2 secs Computing kpt #: 254 total cpu time spent up to now is 463.1 secs Computing kpt #: 255 total cpu time spent up to now is 464.8 secs Computing kpt #: 256 total cpu time spent up to now is 466.5 secs Computing kpt #: 257 total cpu time spent up to now is 468.2 secs Computing kpt #: 258 total cpu time spent up to now is 469.9 secs Computing kpt #: 259 total cpu time spent up to now is 471.7 secs Computing kpt #: 260 total cpu time spent up to now is 473.5 secs Computing kpt #: 261 total cpu time spent up to now is 475.3 secs Computing kpt #: 262 total cpu time spent up to now is 477.3 secs Computing kpt #: 263 total cpu time spent up to now is 479.4 secs Computing kpt #: 264 total cpu time spent up to now is 481.5 secs Computing kpt #: 265 total cpu time spent up to now is 483.6 secs Computing kpt #: 266 total cpu time spent up to now is 485.5 secs Computing kpt #: 267 total cpu time spent up to now is 487.2 secs Computing kpt #: 268 total cpu time spent up to now is 489.1 secs Computing kpt #: 269 total cpu time spent up to now is 491.0 secs Computing kpt #: 270 total cpu time spent up to now is 492.8 secs Computing kpt #: 271 total cpu time spent up to now is 494.3 secs Computing kpt #: 272 total cpu time spent up to now is 495.8 secs Computing kpt #: 273 total cpu time spent up to now is 497.3 secs Computing kpt #: 274 total cpu time spent up to now is 498.8 secs Computing kpt #: 275 total cpu time spent up to now is 500.3 secs Computing kpt #: 276 total cpu time spent up to now is 501.8 secs Computing kpt #: 277 total cpu time spent up to now is 503.2 secs Computing kpt #: 278 total cpu time spent up to now is 504.7 secs ethr = 2.63E-08, avg # of iterations = 23.5 total cpu time spent up to now is 504.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3939 PWs) bands (ev): -7.4206 -7.4206 -7.1548 -7.1548 -5.8253 -5.8253 -4.6061 -4.6061 -2.8429 -2.8429 -1.5079 -1.5079 0.2994 0.2994 3.7409 3.7409 3.9951 3.9951 4.3251 4.3251 4.4047 4.4047 4.4191 4.4191 4.4947 4.4947 5.4193 5.4193 5.4729 5.4729 5.8466 5.8466 5.9612 5.9612 6.2265 6.2265 6.5135 6.5135 7.1910 7.1910 7.1962 7.1962 7.5106 7.5106 7.6696 7.6696 k = 0.0111-0.0359-0.0211 ( 3939 PWs) bands (ev): -7.4194 -7.4194 -7.1536 -7.1536 -5.8241 -5.8241 -4.6053 -4.6053 -2.8427 -2.8427 -1.5094 -1.5094 0.2982 0.2982 3.7282 3.7282 3.9844 3.9844 4.3097 4.3097 4.3583 4.3583 4.4706 4.4706 4.5081 4.5081 5.3858 5.3858 5.4895 5.4895 5.8262 5.8262 6.0004 6.0004 6.2127 6.2127 6.5189 6.5189 7.1668 7.1668 7.2159 7.2159 7.5060 7.5060 7.6616 7.6616 k = 0.0222-0.0719-0.0421 ( 3937 PWs) bands (ev): -7.4156 -7.4156 -7.1500 -7.1500 -5.8206 -5.8206 -4.6029 -4.6029 -2.8422 -2.8422 -1.5141 -1.5141 0.2948 0.2948 3.6919 3.6919 3.9534 3.9534 4.2716 4.2716 4.3170 4.3170 4.5131 4.5131 4.5501 4.5501 5.3309 5.3309 5.4981 5.4981 5.7981 5.7981 6.0804 6.0804 6.1786 6.1786 6.5292 6.5292 7.1258 7.1258 7.2424 7.2424 7.4976 7.4976 7.6466 7.6466 k = 0.0333-0.1078-0.0632 ( 3929 PWs) bands (ev): -7.4095 -7.4095 -7.1441 -7.1441 -5.8148 -5.8148 -4.5990 -4.5990 -2.8414 -2.8414 -1.5219 -1.5219 0.2890 0.2890 3.6354 3.6354 3.9047 3.9047 4.2257 4.2257 4.2825 4.2825 4.5327 4.5327 4.6064 4.6064 5.2824 5.2824 5.4842 5.4842 5.7766 5.7766 6.1348 6.1348 6.1771 6.1771 6.5348 6.5348 7.0709 7.0709 7.2677 7.2677 7.5028 7.5028 7.6312 7.6312 k = 0.0444-0.1437-0.0842 ( 3932 PWs) bands (ev): -7.4008 -7.4008 -7.1357 -7.1357 -5.8066 -5.8066 -4.5936 -4.5936 -2.8404 -2.8404 -1.5328 -1.5328 0.2807 0.2807 3.5633 3.5633 3.8422 3.8422 4.1785 4.1785 4.2497 4.2497 4.5315 4.5315 4.6585 4.6585 5.2533 5.2533 5.4527 5.4527 5.7543 5.7543 6.0998 6.0998 6.2709 6.2709 6.5308 6.5308 7.0113 7.0113 7.2800 7.2800 7.5398 7.5398 7.6176 7.6176 k = 0.0556-0.1796-0.1053 ( 3934 PWs) bands (ev): -7.3897 -7.3897 -7.1250 -7.1250 -5.7961 -5.7961 -4.5866 -4.5866 -2.8391 -2.8391 -1.5469 -1.5469 0.2699 0.2699 3.4798 3.4798 3.7701 3.7701 4.1303 4.1303 4.2164 4.2164 4.5041 4.5041 4.7033 4.7033 5.2463 5.2463 5.4126 5.4126 5.7233 5.7233 6.0756 6.0756 6.3453 6.3453 6.5271 6.5271 6.9583 6.9583 7.2798 7.2798 7.5999 7.5999 7.6168 7.6168 k = 0.0667-0.2156-0.1264 ( 3938 PWs) bands (ev): -7.3762 -7.3762 -7.1120 -7.1120 -5.7833 -5.7833 -4.5781 -4.5781 -2.8378 -2.8378 -1.5642 -1.5642 0.2564 0.2564 3.3881 3.3881 3.6920 3.6920 4.0802 4.0802 4.1807 4.1807 4.4523 4.4523 4.7411 4.7411 5.2422 5.2422 5.3812 5.3812 5.6834 5.6834 6.0628 6.0628 6.3566 6.3566 6.5614 6.5614 6.9198 6.9198 7.2766 7.2766 7.5990 7.5990 7.7033 7.7033 k = 0.0778-0.2515-0.1474 ( 3953 PWs) bands (ev): -7.3602 -7.3602 -7.0965 -7.0965 -5.7683 -5.7683 -4.5681 -4.5681 -2.8366 -2.8366 -1.5847 -1.5847 0.2401 0.2401 3.2904 3.2904 3.6105 3.6105 4.0277 4.0277 4.1418 4.1418 4.3837 4.3837 4.7728 4.7728 5.2051 5.2051 5.3829 5.3829 5.6398 5.6398 6.0563 6.0563 6.3126 6.3126 6.6260 6.6260 6.9004 6.9004 7.2772 7.2772 7.5994 7.5994 7.8061 7.8061 k = 0.0889-0.2874-0.1685 ( 3960 PWs) bands (ev): -7.3418 -7.3418 -7.0787 -7.0787 -5.7509 -5.7509 -4.5567 -4.5567 -2.8355 -2.8355 -1.6085 -1.6085 0.2208 0.2208 3.1881 3.1881 3.5275 3.5275 3.9721 3.9721 4.0988 4.0988 4.3071 4.3071 4.7987 4.7987 5.1353 5.1353 5.4015 5.4015 5.5993 5.5993 6.0504 6.0504 6.2570 6.2570 6.6769 6.6769 6.9073 6.9073 7.2851 7.2851 7.6069 7.6069 7.9100 7.9100 k = 0.1000-0.3234-0.1895 ( 3964 PWs) bands (ev): -7.3209 -7.3209 -7.0586 -7.0586 -5.7313 -5.7313 -4.5438 -4.5438 -2.8348 -2.8348 -1.6356 -1.6356 0.1985 0.1985 3.0824 3.0824 3.4446 3.4446 3.9132 3.9132 4.0515 4.0515 4.2292 4.2292 4.8185 4.8185 5.0492 5.0492 5.4053 5.4053 5.5660 5.5660 6.0423 6.0423 6.2139 6.2139 6.6927 6.6927 6.9463 6.9463 7.3016 7.3016 7.6214 7.6214 7.9960 7.9960 k = 0.1111-0.3593-0.2106 ( 3966 PWs) bands (ev): -7.2977 -7.2977 -7.0362 -7.0362 -5.7095 -5.7095 -4.5296 -4.5296 -2.8347 -2.8347 -1.6660 -1.6660 0.1731 0.1731 2.9741 2.9741 3.3623 3.3623 3.8512 3.8512 4.0000 4.0000 4.1542 4.1542 4.8308 4.8308 4.9554 4.9554 5.3818 5.3818 5.5342 5.5342 6.0352 6.0352 6.1941 6.1941 6.6802 6.6802 7.0048 7.0048 7.3269 7.3269 7.6410 7.6410 8.0487 8.0487 k = 0.1222-0.3952-0.2317 ( 3975 PWs) bands (ev): -7.2720 -7.2720 -7.0114 -7.0114 -5.6855 -5.6855 -4.5141 -4.5141 -2.8352 -2.8352 -1.6998 -1.6998 0.1446 0.1446 2.8639 2.8639 3.2811 3.2811 3.7868 3.7868 3.9453 3.9453 4.0843 4.0843 4.8172 4.8172 4.8754 4.8754 5.3362 5.3362 5.4923 5.4923 6.0325 6.0325 6.1972 6.1972 6.6543 6.6543 7.0675 7.0675 7.3597 7.3597 7.6621 7.6621 8.0734 8.0734 k = 0.1333-0.4312-0.2527 ( 3979 PWs) bands (ev): -7.2440 -7.2440 -6.9844 -6.9844 -5.6593 -5.6593 -4.4973 -4.4973 -2.8368 -2.8368 -1.7371 -1.7371 0.1129 0.1129 2.7525 2.7525 3.2007 3.2007 3.7214 3.7214 3.8885 3.8885 4.0195 4.0195 4.7293 4.7293 4.8596 4.8596 5.2746 5.2746 5.4405 5.4405 6.0294 6.0294 6.2173 6.2173 6.6253 6.6253 7.1272 7.1272 7.3982 7.3982 7.6797 7.6797 8.0770 8.0770 k = 0.1444-0.4671-0.2738 ( 3982 PWs) bands (ev): -7.2135 -7.2135 -6.9550 -6.9550 -5.6309 -5.6309 -4.4793 -4.4793 -2.8396 -2.8396 -1.7778 -1.7778 0.0782 0.0782 2.6406 2.6406 3.1204 3.1204 3.6570 3.6570 3.8314 3.8314 3.9590 3.9590 4.6215 4.6215 4.8550 4.8550 5.1998 5.1998 5.3865 5.3865 6.0206 6.0206 6.2421 6.2421 6.6015 6.6015 7.1819 7.1819 7.4402 7.4402 7.6885 7.6885 8.0731 8.0731 k = 0.1556-0.5030-0.2948 ( 3982 PWs) bands (ev): -7.1808 -7.1808 -6.9235 -6.9235 -5.6005 -5.6005 -4.4601 -4.4601 -2.8439 -2.8439 -1.8220 -1.8220 0.0407 0.0407 2.5292 2.5292 3.0395 3.0395 3.5955 3.5955 3.7751 3.7751 3.9016 3.9016 4.5102 4.5102 4.8452 4.8452 5.1164 5.1164 5.3357 5.3357 6.0049 6.0049 6.2554 6.2554 6.5911 6.5911 7.2310 7.2310 7.4831 7.4831 7.6869 7.6869 8.0752 8.0752 k = 0.1667-0.5389-0.3159 ( 3993 PWs) bands (ev): -7.1457 -7.1457 -6.8897 -6.8897 -5.5681 -5.5681 -4.4400 -4.4400 -2.8499 -2.8499 -1.8697 -1.8697 0.0005 0.0005 2.4189 2.4189 2.9573 2.9573 3.5381 3.5381 3.7204 3.7204 3.8466 3.8466 4.3984 4.3984 4.8261 4.8261 5.0315 5.0315 5.2891 5.2891 5.9827 5.9827 6.2464 6.2464 6.5957 6.5957 7.2751 7.2751 7.5246 7.5246 7.6813 7.6813 8.0883 8.0883 k = 0.1778-0.5749-0.3370 ( 3994 PWs) bands (ev): -7.1083 -7.1083 -6.8538 -6.8538 -5.5337 -5.5337 -4.4188 -4.4188 -2.8581 -2.8581 -1.9209 -1.9209 -0.0421 -0.0421 2.3105 2.3105 2.8732 2.8732 3.4854 3.4854 3.6680 3.6680 3.7939 3.7939 4.2878 4.2878 4.7912 4.7912 4.9549 4.9549 5.2461 5.2461 5.9543 5.9543 6.2169 6.2169 6.6056 6.6056 7.3156 7.3156 7.5625 7.5625 7.6828 7.6828 8.1101 8.1101 k = 0.1889-0.6108-0.3580 ( 3996 PWs) bands (ev): -7.0687 -7.0687 -6.8157 -6.8157 -5.4974 -5.4974 -4.3969 -4.3969 -2.8685 -2.8685 -1.9755 -1.9755 -0.0868 -0.0868 2.2048 2.2048 2.7870 2.7870 3.4368 3.4368 3.6181 3.6181 3.7440 3.7440 4.1797 4.1797 4.7332 4.7332 4.8965 4.8965 5.2061 5.2061 5.9194 5.9194 6.1747 6.1747 6.6066 6.6066 7.3555 7.3555 7.5969 7.5969 7.6995 7.6995 8.1362 8.1362 k = 0.2000-0.6467-0.3791 ( 3998 PWs) bands (ev): -7.0268 -7.0268 -6.7754 -6.7754 -5.4592 -5.4592 -4.3742 -4.3742 -2.8816 -2.8816 -2.0336 -2.0336 -0.1333 -0.1333 2.1024 2.1024 2.6988 2.6988 3.3907 3.3907 3.5709 3.5709 3.6976 3.6976 4.0758 4.0758 4.6554 4.6554 4.8546 4.8546 5.1687 5.1687 5.8775 5.8775 6.1265 6.1265 6.5897 6.5897 7.3978 7.3978 7.6324 7.6324 7.7303 7.7303 8.1635 8.1635 k = 0.2111-0.6827-0.4001 ( 3992 PWs) bands (ev): -6.9828 -6.9828 -6.7331 -6.7331 -5.4192 -5.4192 -4.3510 -4.3510 -2.8976 -2.8976 -2.0949 -2.0949 -0.1813 -0.1813 2.0042 2.0042 2.6088 2.6088 3.3453 3.3453 3.5256 3.5256 3.6563 3.6563 3.9780 3.9780 4.5682 4.5682 4.8198 4.8198 5.1334 5.1334 5.8281 5.8281 6.0768 6.0768 6.5534 6.5534 7.4425 7.4425 7.6740 7.6740 7.7706 7.7706 8.1901 8.1901 k = 0.2222-0.7186-0.4212 ( 3996 PWs) bands (ev): -6.9365 -6.9365 -6.6888 -6.6888 -5.3775 -5.3775 -4.3274 -4.3274 -2.9167 -2.9167 -2.1595 -2.1595 -0.2306 -0.2306 1.9108 1.9108 2.5176 2.5176 3.2990 3.2990 3.4807 3.4807 3.6210 3.6210 3.8885 3.8885 4.4783 4.4783 4.7865 4.7865 5.0997 5.0997 5.7709 5.7709 6.0280 6.0280 6.5016 6.5016 7.4860 7.4860 7.7229 7.7229 7.8186 7.8186 8.2155 8.2155 k = 0.2333-0.7545-0.4423 ( 3996 PWs) bands (ev): -6.8882 -6.8882 -6.6425 -6.6425 -5.3342 -5.3342 -4.3035 -4.3035 -2.9391 -2.9391 -2.2272 -2.2272 -0.2809 -0.2809 1.8228 1.8228 2.4255 2.4255 3.2505 3.2505 3.4349 3.4349 3.5906 3.5906 3.8108 3.8108 4.3884 4.3884 4.7525 4.7525 5.0670 5.0670 5.7068 5.7068 5.9812 5.9812 6.4401 6.4401 7.5237 7.5237 7.7747 7.7747 7.8766 7.8766 8.2404 8.2404 k = 0.2444-0.7905-0.4633 ( 3991 PWs) bands (ev): -6.8378 -6.8378 -6.5943 -6.5943 -5.2894 -5.2894 -4.2797 -4.2797 -2.9649 -2.9649 -2.2978 -2.2978 -0.3320 -0.3320 1.7407 1.7407 2.3331 2.3331 3.1998 3.1998 3.3876 3.3876 3.5605 3.5605 3.7502 3.7502 4.2999 4.2999 4.7171 4.7171 5.0344 5.0344 5.6373 5.6373 5.9365 5.9365 6.3741 6.3741 7.5535 7.5535 7.8229 7.8229 7.9466 7.9466 8.2666 8.2666 k = 0.2556-0.8264-0.4844 ( 3995 PWs) bands (ev): -6.7854 -6.7854 -6.5442 -6.5442 -5.2433 -5.2433 -4.2561 -4.2561 -2.9942 -2.9942 -2.3710 -2.3710 -0.3839 -0.3839 1.6653 1.6653 2.2407 2.2407 3.1472 3.1472 3.3392 3.3392 3.5237 3.5237 3.7122 3.7122 4.2134 4.2134 4.6804 4.6804 5.0010 5.0010 5.5648 5.5648 5.8935 5.8935 6.3075 6.3075 7.5755 7.5755 7.8646 7.8646 8.0238 8.0238 8.2981 8.2981 k = 0.2667-0.8623-0.5054 ( 4006 PWs) bands (ev): -6.7310 -6.7310 -6.4924 -6.4924 -5.1959 -5.1959 -4.2330 -4.2330 -3.0268 -3.0268 -2.4466 -2.4466 -0.4365 -0.4365 1.5969 1.5969 2.1488 2.1488 3.0933 3.0933 3.2907 3.2907 3.4785 3.4785 3.6961 3.6961 4.1290 4.1290 4.6427 4.6427 4.9657 4.9657 5.4922 5.4922 5.8518 5.8518 6.2430 6.2430 7.5906 7.5906 7.9005 7.9005 8.0972 8.0972 8.3420 8.3420 k = 0.2778-0.8982-0.5265 ( 4004 PWs) bands (ev): -6.6748 -6.6748 -6.4389 -6.4389 -5.1474 -5.1474 -4.2108 -4.2108 -3.0628 -3.0628 -2.5243 -2.5243 -0.4896 -0.4896 1.5360 1.5360 2.0580 2.0580 3.0389 3.0389 3.2430 3.2430 3.4293 3.4293 3.6946 3.6946 4.0471 4.0471 4.6042 4.6042 4.9276 4.9276 5.4223 5.4223 5.8110 5.8110 6.1821 6.1821 7.5997 7.5997 7.9313 7.9313 8.1551 8.1551 8.4057 8.4057 k = 0.2889-0.9342-0.5476 ( 4007 PWs) bands (ev): -6.6167 -6.6167 -6.3839 -6.3839 -5.0980 -5.0980 -4.1899 -4.1899 -3.1016 -3.1016 -2.6039 -2.6039 -0.5434 -0.5434 1.4828 1.4828 1.9688 1.9688 2.9851 2.9851 3.1968 3.1968 3.3801 3.3801 3.7000 3.7000 3.9677 3.9677 4.5656 4.5656 4.8863 4.8863 5.3583 5.3583 5.7709 5.7709 6.1259 6.1259 7.6037 7.6037 7.9574 7.9574 8.1945 8.1945 8.4863 8.4863 k = 0.3000-0.9701-0.5686 ( 4015 PWs) bands (ev): -6.5570 -6.5570 -6.3274 -6.3274 -5.0479 -5.0479 -4.1708 -4.1708 -3.1431 -3.1431 -2.6849 -2.6849 -0.5978 -0.5978 1.4375 1.4375 1.8818 1.8818 2.9328 2.9328 3.1528 3.1528 3.3328 3.3328 3.7067 3.7067 3.8908 3.8908 4.5278 4.5278 4.8421 4.8421 5.3021 5.3021 5.7316 5.7316 6.0744 6.0744 7.6033 7.6033 7.9788 7.9788 8.2211 8.2211 8.5554 8.5554 k = 0.3111-1.0060-0.5897 ( 4020 PWs) bands (ev): -6.4957 -6.4957 -6.2696 -6.2696 -4.9973 -4.9973 -4.1539 -4.1539 -3.1865 -3.1865 -2.7671 -2.7671 -0.6527 -0.6527 1.3997 1.3997 1.7979 1.7979 2.8829 2.8829 3.1111 3.1111 3.2881 3.2881 3.7095 3.7095 3.8167 3.8167 4.4922 4.4922 4.7966 4.7966 5.2548 5.2548 5.6933 5.6933 6.0278 6.0278 7.5992 7.5992 7.9954 7.9954 8.2410 8.2410 8.5766 8.5766 k = 0.3222-1.0420-0.6107 ( 4021 PWs) bands (ev): -6.4329 -6.4329 -6.2106 -6.2106 -4.9464 -4.9464 -4.1401 -4.1401 -3.2312 -3.2312 -2.8499 -2.8499 -0.7081 -0.7081 1.3688 1.3688 1.7183 1.7183 2.8361 2.8361 3.0719 3.0719 3.2461 3.2461 3.7035 3.7035 3.7456 3.7456 4.4606 4.4606 4.7524 4.7524 5.2164 5.2164 5.6564 5.6564 5.9858 5.9858 7.5919 7.5919 8.0074 8.0074 8.2576 8.2576 8.5753 8.5753 k = 0.3333-1.0779-0.6318 ( 4028 PWs) bands (ev): -6.3688 -6.3688 -6.1508 -6.1508 -4.8956 -4.8956 -4.1299 -4.1299 -3.2761 -3.2761 -2.9329 -2.9329 -0.7638 -0.7638 1.3432 1.3432 1.6451 1.6451 2.7929 2.7929 3.0353 3.0353 3.2068 3.2068 3.6723 3.6723 3.6899 3.6899 4.4349 4.4349 4.7124 4.7124 5.1858 5.1858 5.6213 5.6213 5.9482 5.9482 7.5819 7.5819 8.0149 8.0149 8.2725 8.2725 8.5659 8.5659 k = 0.3444-1.1138-0.6529 ( 4024 PWs) bands (ev): -6.3035 -6.3035 -6.0902 -6.0902 -4.8452 -4.8452 -4.1244 -4.1244 -3.3204 -3.3204 -3.0158 -3.0158 -0.8194 -0.8194 1.3200 1.3200 1.5813 1.5813 2.7536 2.7536 3.0014 3.0014 3.1700 3.1700 3.6076 3.6076 3.6551 3.6551 4.4162 4.4162 4.6797 4.6797 5.1619 5.1619 5.5883 5.5883 5.9147 5.9147 7.5694 7.5694 8.0180 8.0180 8.2859 8.2859 8.5463 8.5463 k = 0.3556-1.1497-0.6739 ( 4029 PWs) bands (ev): -6.2373 -6.2373 -6.0293 -6.0293 -4.7955 -4.7955 -4.1244 -4.1244 -3.3627 -3.3627 -3.0978 -3.0978 -0.8748 -0.8748 1.2945 1.2945 1.5321 1.5321 2.7184 2.7184 2.9701 2.9701 3.1356 3.1356 3.5433 3.5433 3.6069 3.6069 4.4035 4.4035 4.6568 4.6568 5.1434 5.1434 5.5582 5.5582 5.8850 5.8850 7.5547 7.5547 8.0168 8.0168 8.2973 8.2973 8.4993 8.4993 k = 0.3667-1.1857-0.6950 ( 4029 PWs) bands (ev): -6.1703 -6.1703 -5.9682 -5.9682 -4.7470 -4.7470 -4.1306 -4.1306 -3.4020 -3.4020 -3.1786 -3.1786 -0.9295 -0.9295 1.2612 1.2612 1.5027 1.5027 2.6873 2.6873 2.9415 2.9415 3.1032 3.1032 3.4803 3.4803 3.5460 3.5460 4.3939 4.3939 4.6458 4.6458 5.1293 5.1293 5.5315 5.5315 5.8589 5.8589 7.5378 7.5378 8.0109 8.0109 8.3023 8.3023 8.4188 8.4188 k = 0.3778-1.2216-0.7160 ( 4024 PWs) bands (ev): -6.1029 -6.1029 -5.9075 -5.9075 -4.7002 -4.7002 -4.1439 -4.1439 -3.4372 -3.4372 -3.2573 -3.2573 -0.9829 -0.9829 1.2189 1.2189 1.4946 1.4946 2.6602 2.6602 2.9155 2.9155 3.0727 3.0727 3.4167 3.4167 3.4776 3.4776 4.3844 4.3844 4.6471 4.6471 5.1187 5.1187 5.5088 5.5088 5.8365 5.8365 7.5183 7.5183 7.9988 7.9988 8.2728 8.2728 8.3611 8.3611 k = 0.3889-1.2575-0.7371 ( 4017 PWs) bands (ev): -6.0355 -6.0355 -5.8477 -5.8477 -4.6557 -4.6557 -4.1643 -4.1643 -3.4676 -3.4676 -3.3332 -3.3332 -1.0346 -1.0346 1.1707 1.1707 1.5042 1.5042 2.6370 2.6370 2.8922 2.8922 3.0434 3.0434 3.3482 3.3482 3.4100 3.4100 4.3732 4.3732 4.6592 4.6592 5.1108 5.1108 5.4907 5.4907 5.8176 5.8176 7.4957 7.4957 7.9765 7.9765 8.1981 8.1981 8.3566 8.3566 k = 0.4000-1.2935-0.7581 ( 4025 PWs) bands (ev): -5.9684 -5.9684 -5.7894 -5.7894 -4.6141 -4.6141 -4.1915 -4.1915 -3.4932 -3.4932 -3.4054 -3.4054 -1.0839 -1.0839 1.1210 1.1210 1.5269 1.5269 2.6175 2.6175 2.8716 2.8716 3.0146 3.0146 3.2717 3.2717 3.3505 3.3505 4.3604 4.3604 4.6788 4.6788 5.1048 5.1048 5.4779 5.4779 5.8025 5.8025 7.4691 7.4691 7.9374 7.9374 8.1321 8.1321 8.3643 8.3643 k = 0.4111-1.3294-0.7792 ( 4021 PWs) bands (ev): -5.9021 -5.9021 -5.7333 -5.7333 -4.5760 -4.5760 -4.2246 -4.2246 -3.5152 -3.5152 -3.4717 -3.4717 -1.1303 -1.1303 1.0728 1.0728 1.5594 1.5594 2.6012 2.6012 2.8537 2.8537 2.9840 2.9840 3.1918 3.1918 3.2994 3.2994 4.3471 4.3471 4.7023 4.7023 5.1000 5.1000 5.4706 5.4706 5.7913 5.7913 7.4371 7.4371 7.8809 7.8809 8.0902 8.0902 8.3739 8.3739 k = 0.4222-1.3653-0.8003 ( 4021 PWs) bands (ev): -5.8375 -5.8375 -5.6804 -5.6804 -4.5422 -4.5422 -4.2619 -4.2619 -3.5461 -3.5461 -3.5193 -3.5193 -1.1730 -1.1730 1.0279 1.0279 1.5992 1.5992 2.5880 2.5880 2.8384 2.8384 2.9475 2.9475 3.1174 3.1174 3.2547 3.2547 4.3339 4.3339 4.7268 4.7268 5.0957 5.0957 5.4688 5.4688 5.7842 5.7842 7.3984 7.3984 7.8183 7.8183 8.0663 8.0663 8.3837 8.3837 k = 0.4333-1.4013-0.8213 ( 4025 PWs) bands (ev): -5.7752 -5.7752 -5.6319 -5.6319 -4.5133 -4.5133 -4.3015 -4.3015 -3.5973 -3.5973 -3.5365 -3.5365 -1.2116 -1.2116 0.9874 0.9874 1.6441 1.6441 2.5776 2.5776 2.8253 2.8253 2.8989 2.8989 3.0585 3.0585 3.2155 3.2155 4.3217 4.3217 4.7500 4.7500 5.0915 5.0915 5.4717 5.4717 5.7815 5.7815 7.3527 7.3527 7.7617 7.7617 8.0515 8.0515 8.3933 8.3933 k = 0.4444-1.4372-0.8424 ( 4017 PWs) bands (ev): -5.7163 -5.7163 -5.5891 -5.5891 -4.4898 -4.4898 -4.3410 -4.3410 -3.6452 -3.6452 -3.5465 -3.5465 -1.2454 -1.2454 0.9523 0.9523 1.6920 1.6920 2.5694 2.5694 2.8123 2.8123 2.8389 2.8389 3.0193 3.0193 3.1815 3.1815 4.3109 4.3109 4.7705 4.7705 5.0872 5.0872 5.4779 5.4779 5.7831 5.7831 7.3018 7.3018 7.7162 7.7162 8.0415 8.0415 8.4025 8.4025 k = 0.4556-1.4731-0.8634 ( 4014 PWs) bands (ev): -5.6622 -5.6622 -5.5534 -5.5534 -4.4719 -4.4719 -4.3782 -4.3782 -3.6854 -3.6854 -3.5536 -3.5536 -1.2739 -1.2739 0.9229 0.9229 1.7407 1.7407 2.5633 2.5633 2.7636 2.7636 2.8111 2.8111 2.9946 2.9946 3.1530 3.1530 4.3018 4.3018 4.7877 4.7877 5.0829 5.0829 5.4856 5.4856 5.7885 5.7885 7.2498 7.2498 7.6824 7.6824 8.0342 8.0342 8.4111 8.4111 k = 0.4667-1.5090-0.8845 ( 4018 PWs) bands (ev): -5.6144 -5.6144 -5.5266 -5.5266 -4.4593 -4.4593 -4.4105 -4.4105 -3.7169 -3.7169 -3.5587 -3.5587 -1.2965 -1.2965 0.8997 0.8997 1.7866 1.7866 2.5590 2.5590 2.6995 2.6995 2.8044 2.8044 2.9788 2.9788 3.1302 3.1302 4.2946 4.2946 4.8011 4.8011 5.0788 5.0788 5.4930 5.4930 5.7963 5.7963 7.2018 7.2018 7.6588 7.6588 8.0290 8.0290 8.4191 8.4191 k = 0.4778-1.5450-0.9056 ( 4022 PWs) bands (ev): -5.5750 -5.5750 -5.5096 -5.5096 -4.4517 -4.4517 -4.4353 -4.4353 -3.7392 -3.7392 -3.5622 -3.5622 -1.3130 -1.3130 0.8829 0.8829 1.8257 1.8257 2.5562 2.5562 2.6455 2.6455 2.8005 2.8005 2.9687 2.9687 3.1135 3.1135 4.2893 4.2893 4.8107 4.8107 5.0755 5.0755 5.4990 5.4990 5.8045 5.8045 7.1632 7.1632 7.6433 7.6433 8.0254 8.0254 8.4260 8.4260 k = 0.4889-1.5809-0.9266 ( 4023 PWs) bands (ev): -5.5468 -5.5468 -5.5026 -5.5026 -4.4532 -4.4532 -4.4456 -4.4456 -3.7525 -3.7525 -3.5643 -3.5643 -1.3230 -1.3230 0.8727 0.8727 1.8525 1.8525 2.5548 2.5548 2.6091 2.6091 2.7983 2.7983 2.9630 2.9630 3.1034 3.1034 4.2862 4.2862 4.8164 4.8164 5.0733 5.0733 5.5028 5.5028 5.8107 5.8107 7.1381 7.1381 7.6346 7.6346 8.0232 8.0232 8.4311 8.4311 k = 0.5000-1.6168-0.9477 ( 4024 PWs) bands (ev): -5.5355 -5.5355 -5.5019 -5.5019 -4.4581 -4.4581 -4.4450 -4.4450 -3.7569 -3.7569 -3.5649 -3.5649 -1.3264 -1.3264 0.8693 0.8693 1.8622 1.8622 2.5544 2.5544 2.5960 2.5960 2.7976 2.7976 2.9611 2.9611 3.0999 3.0999 4.2851 4.2851 4.8184 4.8184 5.0726 5.0726 5.5041 5.5041 5.8130 5.8130 7.1294 7.1294 7.6318 7.6318 8.0225 8.0225 8.4331 8.4331 k = 0.5000-1.6168-0.9477 ( 4024 PWs) bands (ev): -5.5355 -5.5355 -5.5019 -5.5019 -4.4581 -4.4581 -4.4450 -4.4450 -3.7569 -3.7569 -3.5649 -3.5649 -1.3264 -1.3264 0.8693 0.8693 1.8622 1.8622 2.5544 2.5544 2.5960 2.5960 2.7976 2.7976 2.9611 2.9611 3.0999 3.0999 4.2851 4.2851 4.8184 4.8184 5.0726 5.0726 5.5041 5.5041 5.8130 5.8130 7.1294 7.1294 7.6318 7.6318 8.0225 8.0225 8.4331 8.4331 k = 0.5000-1.5953-0.9844 ( 4022 PWs) bands (ev): -5.5342 -5.5342 -5.5007 -5.5007 -4.4576 -4.4576 -4.4444 -4.4444 -3.7572 -3.7572 -3.5662 -3.5662 -1.3272 -1.3272 0.8700 0.8700 1.8622 1.8622 2.5506 2.5506 2.5904 2.5904 2.7755 2.7755 2.9796 2.9796 3.1091 3.1091 4.2653 4.2653 4.8126 4.8126 5.0794 5.0794 5.5166 5.5166 5.8205 5.8205 7.1339 7.1339 7.6336 7.6336 7.9832 7.9832 8.4253 8.4253 k = 0.5000-1.5738-1.0212 ( 4022 PWs) bands (ev): -5.5306 -5.5306 -5.4971 -5.4971 -4.4563 -4.4563 -4.4428 -4.4428 -3.7582 -3.7582 -3.5699 -3.5699 -1.3296 -1.3296 0.8719 0.8719 1.8622 1.8622 2.5324 2.5324 2.5823 2.5823 2.7270 2.7270 3.0158 3.0158 3.1352 3.1352 4.2146 4.2146 4.7837 4.7837 5.1068 5.1068 5.5520 5.5520 5.8417 5.8417 7.1469 7.1469 7.6383 7.6383 7.8909 7.8909 8.4073 8.4073 k = 0.5000-1.5522-1.0579 ( 4018 PWs) bands (ev): -5.5244 -5.5244 -5.4911 -5.4911 -4.4542 -4.4542 -4.4402 -4.4402 -3.7598 -3.7598 -3.5761 -3.5761 -1.3336 -1.3336 0.8751 0.8751 1.8620 1.8620 2.4950 2.4950 2.5810 2.5810 2.6710 2.6710 3.0482 3.0482 3.1746 3.1746 4.1501 4.1501 4.7227 4.7227 5.1548 5.1548 5.6068 5.6068 5.8733 5.8733 7.1671 7.1671 7.6426 7.6426 7.7799 7.7799 8.3834 8.3834 k = 0.5000-1.5307-1.0946 ( 4016 PWs) bands (ev): -5.5158 -5.5158 -5.4827 -5.4827 -4.4513 -4.4513 -4.4365 -4.4365 -3.7620 -3.7620 -3.5847 -3.5847 -1.3393 -1.3393 0.8794 0.8794 1.8613 1.8613 2.4460 2.4460 2.5792 2.5792 2.6189 2.6189 3.0670 3.0670 3.2227 3.2227 4.0871 4.0871 4.6374 4.6374 5.2089 5.2089 5.6793 5.6793 5.9114 5.9114 7.1925 7.1925 7.6141 7.6141 7.6966 7.6966 8.3603 8.3603 k = 0.5000-1.5092-1.1314 ( 4018 PWs) bands (ev): -5.5048 -5.5048 -5.4719 -5.4719 -4.4477 -4.4477 -4.4319 -4.4319 -3.7650 -3.7650 -3.5958 -3.5958 -1.3465 -1.3465 0.8849 0.8849 1.8595 1.8595 2.3914 2.3914 2.5456 2.5456 2.6030 2.6030 3.0671 3.0671 3.2749 3.2749 4.0364 4.0364 4.5375 4.5375 5.2572 5.2572 5.7656 5.7656 5.9536 5.9536 7.2199 7.2199 7.5075 7.5075 7.6929 7.6929 8.3451 8.3451 k = 0.5000-1.4876-1.1681 ( 4024 PWs) bands (ev): -5.4913 -5.4913 -5.4587 -5.4587 -4.4435 -4.4435 -4.4265 -4.4265 -3.7686 -3.7686 -3.6094 -3.6094 -1.3553 -1.3553 0.8913 0.8913 1.8559 1.8559 2.3345 2.3345 2.4953 2.4953 2.6092 2.6092 3.0458 3.0458 3.3273 3.3273 4.0045 4.0045 4.4297 4.4297 5.2959 5.2959 5.8534 5.8534 6.0035 6.0035 7.2450 7.2450 7.3902 7.3902 7.7074 7.7074 8.3442 8.3442 k = 0.5000-1.4661-1.2049 ( 4022 PWs) bands (ev): -5.4754 -5.4754 -5.4431 -5.4431 -4.4388 -4.4388 -4.4202 -4.4202 -3.7730 -3.7730 -3.6254 -3.6254 -1.3656 -1.3656 0.8987 0.8987 1.8498 1.8498 2.2775 2.2775 2.4483 2.4483 2.6184 2.6184 3.0040 3.0040 3.3769 3.3769 3.9934 3.9934 4.3189 4.3189 5.3257 5.3257 5.9181 5.9181 6.0749 6.0749 7.2447 7.2447 7.3007 7.3007 7.7280 7.7280 8.3616 8.3616 k = 0.5000-1.4446-1.2416 ( 4026 PWs) bands (ev): -5.4571 -5.4571 -5.4251 -5.4251 -4.4339 -4.4339 -4.4133 -4.4133 -3.7782 -3.7782 -3.6438 -3.6438 -1.3774 -1.3774 0.9068 0.9068 1.8402 1.8402 2.2219 2.2219 2.4078 2.4078 2.6275 2.6275 2.9467 2.9467 3.4205 3.4205 4.0005 4.0005 4.2102 4.2102 5.3483 5.3483 5.9472 5.9472 6.1680 6.1680 7.1645 7.1645 7.3005 7.3005 7.7555 7.7555 8.3984 8.3984 k = 0.5000-1.4230-1.2783 ( 4016 PWs) bands (ev): -5.4364 -5.4364 -5.4049 -5.4049 -4.4288 -4.4288 -4.4059 -4.4059 -3.7842 -3.7842 -3.6644 -3.6644 -1.3905 -1.3905 0.9156 0.9156 1.8264 1.8264 2.1689 2.1689 2.3754 2.3754 2.6325 2.6325 2.8826 2.8826 3.4536 3.4536 4.0181 4.0181 4.1119 4.1119 5.3654 5.3654 5.9506 5.9506 6.2576 6.2576 7.0938 7.0938 7.3120 7.3120 7.7921 7.7921 8.4524 8.4524 k = 0.5000-1.4015-1.3151 ( 4008 PWs) bands (ev): -5.4133 -5.4133 -5.3823 -5.3823 -4.4238 -4.4238 -4.3983 -4.3983 -3.7909 -3.7909 -3.6873 -3.6873 -1.4049 -1.4049 0.9248 0.9248 1.8079 1.8079 2.1192 2.1192 2.3519 2.3519 2.6247 2.6247 2.8255 2.8255 3.4692 3.4692 4.0013 4.0013 4.0726 4.0726 5.3777 5.3777 5.9348 5.9348 6.3180 6.3180 7.0656 7.0656 7.3217 7.3217 7.8391 7.8391 8.5196 8.5196 k = 0.5000-1.3800-1.3518 ( 4006 PWs) bands (ev): -5.3878 -5.3878 -5.3574 -5.3574 -4.4193 -4.4193 -4.3906 -4.3906 -3.7985 -3.7985 -3.7121 -3.7121 -1.4205 -1.4205 0.9343 0.9343 1.7846 1.7846 2.0738 2.0738 2.3373 2.3373 2.5905 2.5905 2.7938 2.7938 3.4572 3.4572 3.9458 3.9458 4.1029 4.1029 5.3854 5.3854 5.9030 5.9030 6.3323 6.3323 7.0944 7.0944 7.3316 7.3316 7.8965 7.8965 8.5951 8.5951 k = 0.5000-1.3584-1.3886 ( 4006 PWs) bands (ev): -5.3600 -5.3600 -5.3302 -5.3302 -4.4154 -4.4154 -4.3833 -4.3833 -3.8067 -3.8067 -3.7387 -3.7387 -1.4371 -1.4371 0.9439 0.9439 1.7568 1.7568 2.0331 2.0331 2.3305 2.3305 2.5307 2.5307 2.7907 2.7907 3.4111 3.4111 3.9164 3.9164 4.1420 4.1420 5.3881 5.3881 5.8573 5.8573 6.3050 6.3050 7.1731 7.1731 7.3464 7.3464 7.9631 7.9631 8.6731 8.6731 k = 0.5000-1.3369-1.4253 ( 4012 PWs) bands (ev): -5.3299 -5.3299 -5.3008 -5.3008 -4.4127 -4.4127 -4.3768 -4.3768 -3.8157 -3.8157 -3.7667 -3.7667 -1.4545 -1.4545 0.9535 0.9535 1.7251 1.7251 1.9979 1.9979 2.3288 2.3288 2.4621 2.4621 2.8039 2.8039 3.3353 3.3353 3.9143 3.9143 4.1817 4.1817 5.3853 5.3853 5.8002 5.8002 6.2551 6.2551 7.2687 7.2687 7.3824 7.3824 8.0379 8.0379 8.7478 8.7478 k = 0.5000-1.3153-1.4620 ( 4012 PWs) bands (ev): -5.2975 -5.2975 -5.2691 -5.2691 -4.4114 -4.4114 -4.3715 -4.3715 -3.8252 -3.8252 -3.7956 -3.7956 -1.4725 -1.4725 0.9631 0.9631 1.6897 1.6897 1.9686 1.9686 2.3217 2.3217 2.4048 2.4048 2.8246 2.8246 3.2415 3.2415 3.9293 3.9293 4.2187 4.2187 5.3763 5.3763 5.7343 5.7343 6.1994 6.1994 7.3242 7.3242 7.4814 7.4814 8.1195 8.1195 8.8124 8.8124 k = 0.5000-1.2938-1.4988 ( 4010 PWs) bands (ev): -5.2628 -5.2628 -5.2354 -5.2354 -4.4122 -4.4122 -4.3684 -4.3684 -3.8354 -3.8354 -3.8244 -3.8244 -1.4908 -1.4908 0.9724 0.9724 1.6511 1.6511 1.9457 1.9457 2.2844 2.2844 2.3882 2.3882 2.8483 2.8483 3.1400 3.1400 3.9524 3.9524 4.2505 4.2505 5.3612 5.3612 5.6627 5.6627 6.1485 6.1485 7.3499 7.3499 7.6241 7.6241 8.2066 8.2066 8.8596 8.8596 k = 0.5000-1.2723-1.5355 ( 4002 PWs) bands (ev): -5.2260 -5.2260 -5.1995 -5.1995 -4.4155 -4.4155 -4.3682 -4.3682 -3.8541 -3.8541 -3.8441 -3.8441 -1.5093 -1.5093 0.9817 0.9817 1.6093 1.6093 1.9295 1.9295 2.2303 2.2303 2.4009 2.4009 2.8681 2.8681 3.0417 3.0417 3.9777 3.9777 4.2741 4.2741 5.3413 5.3413 5.5883 5.5883 6.1079 6.1079 7.3703 7.3703 7.7801 7.7801 8.2983 8.2983 8.8828 8.8828 k = 0.5000-1.2507-1.5723 ( 3998 PWs) bands (ev): -5.1870 -5.1870 -5.1615 -5.1615 -4.4217 -4.4217 -4.3720 -4.3720 -3.8804 -3.8804 -3.8544 -3.8544 -1.5275 -1.5275 0.9909 0.9909 1.5647 1.5647 1.9201 1.9201 2.1798 2.1798 2.4237 2.4237 2.8547 2.8547 2.9785 2.9785 4.0017 4.0017 4.2869 4.2869 5.3194 5.3194 5.5141 5.5141 6.0798 6.0798 7.3903 7.3903 7.9412 7.9412 8.3933 8.3933 8.8769 8.8769 k = 0.5000-1.2292-1.6090 ( 4006 PWs) bands (ev): -5.1459 -5.1459 -5.1216 -5.1216 -4.4315 -4.4315 -4.3811 -4.3811 -3.9042 -3.9042 -3.8642 -3.8642 -1.5452 -1.5452 1.0003 1.0003 1.5177 1.5177 1.9171 1.9171 2.1378 2.1378 2.4520 2.4520 2.7759 2.7759 2.9842 2.9842 4.0216 4.0216 4.2860 4.2860 5.2992 5.2992 5.4431 5.4431 6.0641 6.0641 7.4108 7.4108 8.1039 8.1039 8.4909 8.4909 8.8420 8.8420 k = 0.5000-1.2077-1.6457 ( 4008 PWs) bands (ev): -5.1029 -5.1029 -5.0798 -5.0798 -4.4452 -4.4452 -4.3966 -4.3966 -3.9240 -3.9240 -3.8735 -3.8735 -1.5621 -1.5621 1.0100 1.0100 1.4694 1.4694 1.9203 1.9203 2.1056 2.1056 2.4844 2.4844 2.6768 2.6768 3.0150 3.0150 4.0351 4.0351 4.2695 4.2695 5.2845 5.2845 5.3788 5.3788 6.0594 6.0594 7.4317 7.4317 8.2662 8.2662 8.5900 8.5900 8.7829 8.7829 k = 0.5000-1.1861-1.6825 ( 4014 PWs) bands (ev): -5.0580 -5.0580 -5.0363 -5.0363 -4.4632 -4.4632 -4.4191 -4.4191 -3.9389 -3.9389 -3.8822 -3.8822 -1.5778 -1.5778 1.0204 1.0204 1.4209 1.4209 1.9288 1.9288 2.0832 2.0832 2.5198 2.5198 2.5768 2.5768 3.0528 3.0528 4.0402 4.0402 4.2365 4.2365 5.2754 5.2754 5.3270 5.3270 6.0640 6.0640 7.4530 7.4530 8.4262 8.4262 8.6863 8.6863 8.7099 8.7099 k = 0.5000-1.1646-1.7192 ( 4012 PWs) bands (ev): -5.0115 -5.0115 -4.9913 -4.9913 -4.4856 -4.4856 -4.4489 -4.4489 -3.9485 -3.9485 -3.8904 -3.8904 -1.5921 -1.5921 1.0314 1.0314 1.3737 1.3737 1.9415 1.9415 2.0702 2.0702 2.4790 2.4790 2.5594 2.5594 3.0940 3.0940 4.0348 4.0348 4.1881 4.1881 5.2573 5.2573 5.3057 5.3057 6.0761 6.0761 7.4745 7.4745 8.5793 8.5793 8.6207 8.6207 8.7898 8.7898 k = 0.5000-1.1431-1.7560 ( 4014 PWs) bands (ev): -4.9638 -4.9638 -4.9451 -4.9451 -4.5127 -4.5127 -4.4851 -4.4851 -3.9530 -3.9530 -3.8982 -3.8982 -1.6045 -1.6045 1.0432 1.0432 1.3294 1.3294 1.9563 1.9563 2.0657 2.0657 2.3890 2.3890 2.6004 2.6004 3.1376 3.1376 4.0176 4.0176 4.1269 4.1269 5.2297 5.2297 5.3170 5.3170 6.0940 6.0940 7.4959 7.4959 8.5222 8.5222 8.7304 8.7304 8.8603 8.8603 k = 0.5000-1.1215-1.7927 ( 4014 PWs) bands (ev): -4.9154 -4.9154 -4.8983 -4.8983 -4.5448 -4.5448 -4.5255 -4.5255 -3.9530 -3.9530 -3.9058 -3.9058 -1.6148 -1.6148 1.0553 1.0553 1.2898 1.2898 1.9695 1.9695 2.0689 2.0689 2.3097 2.3097 2.6438 2.6438 3.1829 3.1829 3.9874 3.9874 4.0568 4.0568 5.2106 5.2106 5.3421 5.3421 6.1167 6.1167 7.5169 7.5169 8.4249 8.4249 8.7603 8.7603 8.8971 8.8971 k = 0.5000-1.1000-1.8294 ( 4004 PWs) bands (ev): -4.8679 -4.8679 -4.8525 -4.8525 -4.5838 -4.5838 -4.5647 -4.5647 -3.9494 -3.9494 -3.9135 -3.9135 -1.6226 -1.6226 1.0671 1.0671 1.2569 1.2569 1.9735 1.9735 2.0788 2.0788 2.2489 2.2489 2.6892 2.6892 3.2295 3.2295 3.9411 3.9411 3.9845 3.9845 5.2037 5.2037 5.3755 5.3755 6.1431 6.1431 7.5374 7.5374 8.3260 8.3260 8.6661 8.6661 9.0264 9.0264 k = 0.5000-1.0785-1.8662 ( 3998 PWs) bands (ev): -4.8250 -4.8250 -4.8116 -4.8116 -4.6261 -4.6261 -4.5972 -4.5972 -3.9429 -3.9429 -3.9216 -3.9216 -1.6277 -1.6277 1.0767 1.0767 1.2334 1.2334 1.9570 1.9570 2.0948 2.0948 2.2179 2.2179 2.7362 2.7362 3.2768 3.2768 3.8733 3.8733 3.9202 3.9202 5.2087 5.2087 5.4146 5.4146 6.1724 6.1724 7.5570 7.5570 8.2276 8.2276 8.5629 8.5629 9.1459 9.1459 k = 0.5000-1.0569-1.9029 ( 4000 PWs) bands (ev): -4.7978 -4.7978 -4.7893 -4.7893 -4.6534 -4.6534 -4.6160 -4.6160 -3.9344 -3.9344 -3.9304 -3.9304 -1.6298 -1.6298 1.0820 1.0820 1.2223 1.2223 1.9170 1.9170 2.1163 2.1163 2.2197 2.2197 2.7845 2.7845 3.3238 3.3238 3.7922 3.7922 3.8608 3.8608 5.2239 5.2239 5.4576 5.4576 6.2040 6.2040 7.5755 7.5755 8.1309 8.1309 8.4575 8.4575 9.2504 9.2504 k = 0.5000-1.0354-1.9397 ( 3998 PWs) bands (ev): -4.8152 -4.8152 -4.7963 -4.7963 -4.6395 -4.6395 -4.6070 -4.6070 -3.9405 -3.9405 -3.9241 -3.9241 -1.6285 -1.6285 1.0820 1.0820 1.2249 1.2249 1.8635 1.8635 2.1429 2.1429 2.2441 2.2441 2.8335 2.8335 3.3683 3.3683 3.7088 3.7088 3.8018 3.8018 5.2476 5.2476 5.5031 5.5031 6.2373 6.2373 7.5925 7.5925 8.0371 8.0371 8.3521 8.3521 9.3445 9.3445 k = 0.8282-0.9858-1.8511 ( 3998 PWs) bands (ev): -4.8152 -4.8152 -4.7963 -4.7963 -4.6395 -4.6395 -4.6070 -4.6070 -3.9405 -3.9405 -3.9241 -3.9241 -1.6285 -1.6285 1.0820 1.0820 1.2249 1.2249 1.8635 1.8635 2.1429 2.1429 2.2441 2.2441 2.8335 2.8335 3.3683 3.3683 3.7088 3.7088 3.8018 3.8018 5.2476 5.2476 5.5031 5.5031 6.2373 6.2373 7.5925 7.5925 8.0371 8.0371 8.3521 8.3521 9.3445 9.3445 k = 0.8218-0.9650-1.8139 ( 4006 PWs) bands (ev): -4.8680 -4.8680 -4.8284 -4.8284 -4.5967 -4.5967 -4.5709 -4.5709 -3.9518 -3.9518 -3.9128 -3.9128 -1.6236 -1.6236 1.0790 1.0790 1.2392 1.2392 1.8061 1.8061 2.1741 2.1741 2.2816 2.2816 2.8830 2.8830 3.4061 3.4061 3.6282 3.6282 3.7456 3.7456 5.2782 5.2782 5.5506 5.5506 6.2722 6.2722 7.6077 7.6077 7.9464 7.9464 8.2468 8.2468 9.4322 9.4322 k = 0.8153-0.9442-1.7768 ( 4008 PWs) bands (ev): -4.9323 -4.9323 -4.8760 -4.8760 -4.5445 -4.5445 -4.5217 -4.5217 -3.9643 -3.9643 -3.9006 -3.9006 -1.6149 -1.6149 1.0766 1.0766 1.2611 1.2611 1.7511 1.7511 2.2089 2.2089 2.3266 2.3266 2.9309 2.9309 3.4242 3.4242 3.5581 3.5581 3.7029 3.7029 5.3136 5.3136 5.5986 5.5986 6.3077 6.3077 7.6202 7.6202 7.8615 7.8615 8.1441 8.1441 9.5124 9.5124 k = 0.8089-0.9234-1.7396 ( 4008 PWs) bands (ev): -5.0017 -5.0017 -4.9314 -4.9314 -4.4891 -4.4891 -4.4672 -4.4672 -3.9778 -3.9778 -3.8877 -3.8877 -1.6022 -1.6022 1.0777 1.0777 1.2875 1.2875 1.7019 1.7019 2.2463 2.2463 2.3763 2.3763 2.9746 2.9746 3.4066 3.4066 3.5041 3.5041 3.6902 3.6902 5.3519 5.3519 5.6462 5.6462 6.3430 6.3430 7.6281 7.6281 7.7846 7.7846 8.0456 8.0456 9.5776 9.5776 k = 0.8025-0.9026-1.7024 ( 4012 PWs) bands (ev): -5.0740 -5.0740 -4.9917 -4.9917 -4.4328 -4.4328 -4.4117 -4.4117 -3.9911 -3.9911 -3.8740 -3.8740 -1.5854 -1.5854 1.0835 1.0835 1.3153 1.3153 1.6613 1.6613 2.2852 2.2852 2.4289 2.4289 3.0089 3.0089 3.3669 3.3669 3.4557 3.4557 3.7122 3.7122 5.3917 5.3917 5.6927 5.6927 6.3775 6.3775 7.6262 7.6262 7.7214 7.7214 7.9530 7.9530 9.5817 9.5817 k = 0.7960-0.8818-1.6653 ( 4012 PWs) bands (ev): -5.1482 -5.1482 -5.0552 -5.0552 -4.3771 -4.3771 -4.3583 -4.3583 -4.0023 -4.0023 -3.8593 -3.8593 -1.5644 -1.5644 1.0948 1.0948 1.3412 1.3412 1.6325 1.6325 2.3242 2.3242 2.4830 2.4830 3.0260 3.0260 3.3340 3.3340 3.4090 3.4090 3.7552 3.7552 5.4312 5.4312 5.7375 5.7375 6.4103 6.4103 7.6020 7.6020 7.6838 7.6838 7.8691 7.8691 9.5440 9.5440 k = 0.7896-0.8609-1.6281 ( 4014 PWs) bands (ev): -5.2237 -5.2237 -5.1212 -5.1212 -4.3233 -4.3233 -4.3115 -4.3115 -4.0073 -4.0073 -3.8428 -3.8428 -1.5393 -1.5393 1.1116 1.1116 1.3616 1.3616 1.6192 1.6192 2.3611 2.3611 2.5373 2.5373 3.0201 3.0201 3.3111 3.3111 3.3815 3.3815 3.8083 3.8083 5.4689 5.4689 5.7800 5.7800 6.4404 6.4404 7.5590 7.5590 7.6654 7.6654 7.7993 7.7993 9.4949 9.4949 k = 0.7832-0.8401-1.5909 ( 4012 PWs) bands (ev): -5.3002 -5.3002 -5.1891 -5.1891 -4.2818 -4.2818 -4.2695 -4.2695 -3.9996 -3.9996 -3.8239 -3.8239 -1.5101 -1.5101 1.1339 1.1339 1.3736 1.3736 1.6245 1.6245 2.3931 2.3931 2.5897 2.5897 2.9976 2.9976 3.2803 3.2803 3.3946 3.3946 3.8667 3.8667 5.5032 5.5032 5.8196 5.8196 6.4668 6.4668 7.5149 7.5149 7.6420 7.6420 7.7525 7.7525 9.4409 9.4409 k = 0.7767-0.8193-1.5538 ( 4012 PWs) bands (ev): -5.3772 -5.3772 -5.2583 -5.2583 -4.2688 -4.2688 -4.2235 -4.2235 -3.9731 -3.9731 -3.8013 -3.8013 -1.4769 -1.4769 1.1610 1.1610 1.3782 1.3782 1.6477 1.6477 2.4167 2.4167 2.6373 2.6373 2.9724 2.9724 3.2503 3.2503 3.4347 3.4347 3.9281 3.9281 5.5326 5.5326 5.8558 5.8558 6.4886 6.4886 7.4750 7.4750 7.6098 7.6098 7.7300 7.7300 9.3841 9.3841 k = 0.7703-0.7985-1.5166 ( 4018 PWs) bands (ev): -5.4545 -5.4545 -5.3287 -5.3287 -4.2765 -4.2765 -4.1829 -4.1829 -3.9282 -3.9282 -3.7735 -3.7735 -1.4399 -1.4399 1.1921 1.1921 1.3801 1.3801 1.6845 1.6845 2.4284 2.4284 2.6757 2.6757 2.9574 2.9574 3.2323 3.2323 3.4873 3.4873 3.9916 3.9916 5.5557 5.5557 5.8879 5.8879 6.5053 6.5053 7.4384 7.4384 7.5837 7.5837 7.7197 7.7197 9.3257 9.3257 k = 0.7639-0.7777-1.4794 ( 4022 PWs) bands (ev): -5.5318 -5.5318 -5.3997 -5.3997 -4.2987 -4.2987 -4.1499 -4.1499 -3.8703 -3.8703 -3.7395 -3.7395 -1.3993 -1.3993 1.2251 1.2251 1.3853 1.3853 1.7304 1.7304 2.4263 2.4263 2.6991 2.6991 2.9618 2.9618 3.2318 3.2318 3.5464 3.5464 4.0564 4.0564 5.5713 5.5713 5.9155 5.9155 6.5169 6.5169 7.4046 7.4046 7.5743 7.5743 7.7132 7.7132 9.2663 9.2663 k = 0.7574-0.7569-1.4423 ( 4020 PWs) bands (ev): -5.6089 -5.6089 -5.4712 -5.4712 -4.3303 -4.3303 -4.1253 -4.1253 -3.8047 -3.8047 -3.6985 -3.6985 -1.3555 -1.3555 1.2569 1.2569 1.3993 1.3993 1.7822 1.7822 2.4112 2.4112 2.7053 2.7053 2.9886 2.9886 3.2505 3.2505 3.6092 3.6092 4.1224 4.1224 5.5786 5.5786 5.9377 5.9377 6.5239 6.5239 7.3759 7.3759 7.5833 7.5833 7.7074 7.7074 9.2065 9.2065 k = 0.7510-0.7361-1.4051 ( 4020 PWs) bands (ev): -5.6857 -5.6857 -5.5429 -5.5429 -4.3681 -4.3681 -4.1091 -4.1091 -3.7342 -3.7342 -3.6509 -3.6509 -1.3085 -1.3085 1.2841 1.2841 1.4268 1.4268 1.8377 1.8377 2.3866 2.3866 2.6987 2.6987 3.0338 3.0338 3.2868 3.2868 3.6745 3.6745 4.1890 4.1890 5.5774 5.5774 5.9539 5.9539 6.5270 6.5270 7.3552 7.3552 7.6083 7.6083 7.7015 7.7015 9.1465 9.1465 k = 0.7446-0.7153-1.3680 ( 4022 PWs) bands (ev): -5.7619 -5.7619 -5.6145 -5.6145 -4.4101 -4.4101 -4.1005 -4.1005 -3.6609 -3.6609 -3.5974 -3.5974 -1.2589 -1.2589 1.3062 1.3062 1.4688 1.4688 1.8952 1.8952 2.3569 2.3569 2.6862 2.6862 3.0911 3.0911 3.3375 3.3375 3.7411 3.7411 4.2560 4.2560 5.5678 5.5678 5.9635 5.9635 6.5274 6.5274 7.3444 7.3444 7.6458 7.6458 7.6965 7.6965 9.0867 9.0867 k = 0.7381-0.6945-1.3308 ( 4022 PWs) bands (ev): -5.8375 -5.8375 -5.6859 -5.6859 -4.4553 -4.4553 -4.0986 -4.0986 -3.5857 -3.5857 -3.5394 -3.5394 -1.2068 -1.2068 1.3257 1.3257 1.5227 1.5227 1.9531 1.9531 2.3261 2.3261 2.6734 2.6734 3.1564 3.1564 3.3991 3.3991 3.8086 3.8086 4.3233 4.3233 5.5507 5.5507 5.9666 5.9666 6.5263 6.5263 7.3438 7.3438 7.6797 7.6797 7.7064 7.7064 9.0275 9.0275 k = 0.7317-0.6736-1.2936 ( 4020 PWs) bands (ev): -5.9122 -5.9122 -5.7568 -5.7568 -4.5029 -4.5029 -4.1023 -4.1023 -3.5095 -3.5095 -3.4780 -3.4780 -1.1527 -1.1527 1.3456 1.3456 1.5854 1.5854 2.0097 2.0097 2.2976 2.2976 2.6643 2.6643 3.2270 3.2270 3.4685 3.4685 3.8764 3.8764 4.3907 4.3907 5.5272 5.5272 5.9632 5.9632 6.5246 6.5246 7.3519 7.3519 7.6814 7.6814 7.7589 7.7589 8.9690 8.9690 k = 0.7252-0.6528-1.2565 ( 4020 PWs) bands (ev): -5.9859 -5.9859 -5.8271 -5.8271 -4.5522 -4.5522 -4.1105 -4.1105 -3.4331 -3.4331 -3.4139 -3.4139 -1.0969 -1.0969 1.3674 1.3674 1.6546 1.6546 2.0624 2.0624 2.2748 2.2748 2.6621 2.6621 3.3013 3.3013 3.5437 3.5437 3.9441 3.9441 4.4579 4.4579 5.4986 5.4986 5.9544 5.9544 6.5228 6.5228 7.3657 7.3657 7.6823 7.6823 7.8230 7.8230 8.9117 8.9117 k = 0.7188-0.6320-1.2193 ( 4026 PWs) bands (ev): -6.0585 -6.0585 -5.8967 -5.8967 -4.6027 -4.6027 -4.1225 -4.1225 -3.3583 -3.3583 -3.3466 -3.3466 -1.0398 -1.0398 1.3917 1.3917 1.7291 1.7291 2.1068 2.1068 2.2627 2.2627 2.6690 2.6690 3.3783 3.3783 3.6229 3.6229 4.0110 4.0110 4.5247 4.5247 5.4663 5.4663 5.9414 5.9414 6.5215 6.5215 7.3808 7.3808 7.6900 7.6900 7.8925 7.8925 8.8560 8.8560 k = 0.7124-0.6112-1.1821 ( 4016 PWs) bands (ev): -6.1299 -6.1299 -5.9653 -5.9653 -4.6542 -4.6542 -4.1377 -4.1377 -3.2885 -3.2885 -3.2739 -3.2739 -0.9816 -0.9816 1.4189 1.4189 1.8080 1.8080 2.1362 2.1362 2.2685 2.2685 2.6867 2.6867 3.4572 3.4572 3.7050 3.7050 4.0767 4.0767 4.5911 4.5911 5.4318 5.4318 5.9259 5.9259 6.5206 6.5206 7.3919 7.3919 7.7085 7.7085 7.9652 7.9652 8.8025 8.8025 k = 0.7059-0.5904-1.1450 ( 4016 PWs) bands (ev): -6.2000 -6.2000 -6.0329 -6.0329 -4.7063 -4.7063 -4.1557 -4.1557 -3.2221 -3.2221 -3.1984 -3.1984 -0.9227 -0.9227 1.4487 1.4487 1.8902 1.8902 2.1496 2.1496 2.2946 2.2946 2.7159 2.7159 3.5374 3.5374 3.7890 3.7890 4.1407 4.1407 4.6566 4.6566 5.3967 5.3967 5.9096 5.9096 6.5200 6.5200 7.3955 7.3955 7.7402 7.7402 8.0393 8.0393 8.7520 8.7520 k = 0.6995-0.5696-1.1078 ( 4016 PWs) bands (ev): -6.2686 -6.2686 -6.0993 -6.0993 -4.7587 -4.7587 -4.1759 -4.1759 -3.1568 -3.1568 -3.1231 -3.1231 -0.8634 -0.8634 1.4811 1.4811 1.9744 1.9744 2.1566 2.1566 2.3334 2.3334 2.7562 2.7562 3.6183 3.6183 3.8739 3.8739 4.2022 4.2022 4.7211 4.7211 5.3626 5.3626 5.8946 5.8946 6.5195 6.5195 7.3902 7.3902 7.7848 7.7848 8.1123 8.1123 8.7059 8.7059 k = 0.6931-0.5488-1.0706 ( 4014 PWs) bands (ev): -6.3358 -6.3358 -6.1644 -6.1644 -4.8110 -4.8110 -4.1980 -4.1980 -3.0928 -3.0928 -3.0487 -3.0487 -0.8039 -0.8039 1.5160 1.5160 2.0575 2.0575 2.1680 2.1680 2.3791 2.3791 2.8062 2.8062 3.6994 3.6994 3.9589 3.9589 4.2606 4.2606 4.7843 4.7843 5.3310 5.3310 5.8825 5.8825 6.5190 6.5190 7.3773 7.3773 7.8397 7.8397 8.1813 8.1813 8.6665 8.6665 k = 0.6866-0.5280-1.0335 ( 4016 PWs) bands (ev): -6.4013 -6.4013 -6.2281 -6.2281 -4.8632 -4.8632 -4.2216 -4.2216 -3.0302 -3.0302 -2.9759 -2.9759 -0.7445 -0.7445 1.5532 1.5532 2.1263 2.1263 2.2002 2.2002 2.4302 2.4302 2.8642 2.8642 3.7803 3.7803 4.0431 4.0431 4.3152 4.3152 4.8457 4.8457 5.3040 5.3040 5.8748 5.8748 6.5184 6.5184 7.3585 7.3585 7.9014 7.9014 8.2415 8.2415 8.6378 8.6378 k = 0.6802-0.5072-0.9963 ( 4016 PWs) bands (ev): -6.4652 -6.4652 -6.2903 -6.2903 -4.9149 -4.9149 -4.2466 -4.2466 -2.9693 -2.9693 -2.9048 -2.9048 -0.6853 -0.6853 1.5927 1.5927 2.1642 2.1642 2.2708 2.2708 2.4875 2.4875 2.9281 2.9281 3.8606 3.8606 4.1254 4.1254 4.3652 4.3652 4.9043 4.9043 5.2839 5.2839 5.8729 5.8729 6.5176 6.5176 7.3355 7.3355 7.9665 7.9665 8.2862 8.2862 8.6259 8.6259 k = 0.6738-0.4863-0.9592 ( 4004 PWs) bands (ev): -6.5274 -6.5274 -6.3509 -6.3509 -4.9660 -4.9660 -4.2725 -4.2725 -2.9104 -2.9104 -2.8360 -2.8360 -0.6265 -0.6265 1.6349 1.6349 2.1930 2.1930 2.3578 2.3578 2.5520 2.5520 2.9961 2.9961 3.9399 3.9399 4.2045 4.2045 4.4101 4.4101 4.9589 4.9589 5.2738 5.2738 5.8780 5.8780 6.5166 6.5166 7.3093 7.3093 8.0308 8.0308 8.3108 8.3108 8.6355 8.6355 k = 0.6673-0.4655-0.9220 ( 4012 PWs) bands (ev): -6.5877 -6.5877 -6.4098 -6.4098 -5.0163 -5.0163 -4.2993 -4.2993 -2.8539 -2.8539 -2.7697 -2.7697 -0.5681 -0.5681 1.6798 1.6798 2.2256 2.2256 2.4484 2.4484 2.6245 2.6245 3.0667 3.0667 4.0176 4.0176 4.2789 4.2789 4.4498 4.4498 5.0076 5.0076 5.2773 5.2773 5.8908 5.8908 6.5156 6.5156 7.2808 7.2808 8.0879 8.0879 8.3201 8.3201 8.6597 8.6597 k = 0.6609-0.4447-0.8848 ( 4018 PWs) bands (ev): -6.6462 -6.6462 -6.4671 -6.4671 -5.0657 -5.0657 -4.3266 -4.3266 -2.7998 -2.7998 -2.7063 -2.7063 -0.5101 -0.5101 1.7278 1.7278 2.2645 2.2645 2.5396 2.5396 2.7051 2.7051 3.1387 3.1387 4.0934 4.0934 4.3466 4.3466 4.4850 4.4850 5.0488 5.0488 5.2976 5.2976 5.9115 5.9115 6.5150 6.5150 7.2505 7.2505 8.1269 8.1269 8.3302 8.3302 8.6435 8.6435 k = 0.6545-0.4239-0.8477 ( 4008 PWs) bands (ev): -6.7028 -6.7028 -6.5225 -6.5225 -5.1140 -5.1140 -4.3542 -4.3542 -2.7484 -2.7484 -2.6460 -2.6460 -0.4526 -0.4526 1.7794 1.7794 2.3106 2.3106 2.6310 2.6310 2.7929 2.7929 3.2110 3.2110 4.1667 4.1667 4.4044 4.4044 4.5184 4.5184 5.0832 5.0832 5.3355 5.3355 5.9401 5.9401 6.5151 6.5151 7.2189 7.2189 8.1374 8.1374 8.3551 8.3551 8.5732 8.5732 k = 0.6480-0.4031-0.8105 ( 4004 PWs) bands (ev): -6.7573 -6.7573 -6.5760 -6.5760 -5.1610 -5.1610 -4.3820 -4.3820 -2.7000 -2.7000 -2.5890 -2.5890 -0.3954 -0.3954 1.8350 1.8350 2.3639 2.3639 2.7230 2.7230 2.8863 2.8863 3.2827 3.2827 4.2369 4.2369 4.4481 4.4481 4.5548 4.5548 5.1139 5.1139 5.3885 5.3885 5.9757 5.9757 6.5166 6.5166 7.1861 7.1861 8.1233 8.1233 8.3822 8.3822 8.5095 8.5095 k = 0.6416-0.3823-0.7733 ( 4000 PWs) bands (ev): -6.8099 -6.8099 -6.6276 -6.6276 -5.2068 -5.2068 -4.4097 -4.4097 -2.6545 -2.6545 -2.5356 -2.5356 -0.3386 -0.3386 1.8948 1.8948 2.4244 2.4244 2.8161 2.8161 2.9836 2.9836 3.3530 3.3530 4.3033 4.3033 4.4762 4.4762 4.5978 4.5978 5.1442 5.1442 5.4529 5.4529 6.0171 6.0171 6.5204 6.5204 7.1524 7.1524 8.0959 8.0959 8.3570 8.3570 8.4975 8.4975 k = 0.6351-0.3615-0.7362 ( 3996 PWs) bands (ev): -6.8604 -6.8604 -6.6772 -6.6772 -5.2510 -5.2510 -4.4373 -4.4373 -2.6120 -2.6120 -2.4859 -2.4859 -0.2820 -0.2820 1.9592 1.9592 2.4918 2.4918 2.9106 2.9106 3.0829 3.0829 3.4214 3.4214 4.3651 4.3651 4.4929 4.4929 4.6465 4.6465 5.1755 5.1755 5.5259 5.5259 6.0623 6.0623 6.5276 6.5276 7.1177 7.1177 8.0622 8.0622 8.2832 8.2832 8.4497 8.4497 k = 0.6287-0.3407-0.6990 ( 3996 PWs) bands (ev): -6.9088 -6.9088 -6.7248 -6.7248 -5.2938 -5.2938 -4.4644 -4.4644 -2.5727 -2.5727 -2.4400 -2.4400 -0.2257 -0.2257 2.0285 2.0285 2.5657 2.5657 3.0064 3.0064 3.1826 3.1826 3.4874 3.4874 4.4212 4.4212 4.5042 4.5042 4.6994 4.6994 5.2079 5.2079 5.6053 5.6053 6.1087 6.1087 6.5398 6.5398 7.0823 7.0823 8.0254 8.0254 8.1975 8.1975 8.3475 8.3475 k = 0.6223-0.3199-0.6618 ( 3996 PWs) bands (ev): -6.9550 -6.9550 -6.7704 -6.7704 -5.3349 -5.3349 -4.4911 -4.4911 -2.5365 -2.5365 -2.3980 -2.3980 -0.1698 -0.1698 2.1027 2.1027 2.6457 2.6457 3.1030 3.1030 3.2809 3.2809 3.5506 3.5506 4.4697 4.4697 4.5163 4.5163 4.7562 4.7562 5.2407 5.2407 5.6894 5.6894 6.1535 6.1535 6.5588 6.5588 7.0461 7.0461 7.9859 7.9859 8.1083 8.1083 8.2439 8.2439 k = 0.6158-0.2990-0.6247 ( 3988 PWs) bands (ev): -6.9990 -6.9990 -6.8138 -6.8138 -5.3743 -5.3743 -4.5171 -4.5171 -2.5034 -2.5034 -2.3598 -2.3598 -0.1141 -0.1141 2.1821 2.1821 2.7311 2.7311 3.1995 3.1995 3.3763 3.3763 3.6113 3.6113 4.5038 4.5038 4.5392 4.5392 4.8175 4.8175 5.2728 5.2728 5.7763 5.7763 6.1937 6.1937 6.5861 6.5861 7.0095 7.0095 7.9407 7.9407 8.0217 8.0217 8.1424 8.1424 k = 0.6094-0.2782-0.5875 ( 3986 PWs) bands (ev): -7.0408 -7.0408 -6.8550 -6.8550 -5.4119 -5.4119 -4.5423 -4.5423 -2.4733 -2.4733 -2.3253 -2.3253 -0.0589 -0.0589 2.2665 2.2665 2.8214 2.8214 3.2948 3.2948 3.4668 3.4668 3.6701 3.6701 4.5241 4.5241 4.5761 4.5761 4.8836 4.8836 5.3034 5.3034 5.8635 5.8635 6.2277 6.2277 6.6216 6.6216 6.9731 6.9731 7.8780 7.8780 7.9521 7.9521 8.0437 8.0437 k = 0.6030-0.2574-0.5503 ( 3984 PWs) bands (ev): -7.0804 -7.0804 -6.8941 -6.8941 -5.4476 -5.4476 -4.5666 -4.5666 -2.4460 -2.4460 -2.2946 -2.2946 -0.0044 -0.0044 2.3560 2.3560 2.9157 2.9157 3.3870 3.3870 3.5508 3.5508 3.7281 3.7281 4.5443 4.5443 4.6165 4.6165 4.9543 4.9543 5.3320 5.3320 5.9475 5.9475 6.2556 6.2556 6.6631 6.6631 6.9386 6.9386 7.7945 7.7945 7.9043 7.9043 7.9489 7.9489 k = 0.5965-0.2366-0.5132 ( 3982 PWs) bands (ev): -7.1177 -7.1177 -6.9309 -6.9309 -5.4815 -5.4815 -4.5900 -4.5900 -2.4216 -2.4216 -2.2672 -2.2672 0.0493 0.0493 2.4502 2.4502 3.0131 3.0131 3.4736 3.4736 3.6275 3.6275 3.7867 3.7867 4.5698 4.5698 4.6584 4.6584 5.0292 5.0292 5.3581 5.3581 6.0237 6.0237 6.2789 6.2789 6.7053 6.7053 6.9099 6.9099 7.7060 7.7060 7.8477 7.8477 7.8766 7.8766 k = 0.5901-0.2158-0.4760 ( 3982 PWs) bands (ev): -7.1528 -7.1528 -6.9655 -6.9655 -5.5134 -5.5134 -4.6122 -4.6122 -2.3998 -2.3998 -2.2432 -2.2432 0.1018 0.1018 2.5488 2.5488 3.1124 3.1124 3.5512 3.5512 3.6984 3.6984 3.8460 3.8460 4.6015 4.6015 4.7032 4.7032 5.1078 5.1078 5.3818 5.3818 6.0859 6.0859 6.2996 6.2996 6.7401 6.7401 6.8942 6.8942 7.6210 7.6210 7.7611 7.7611 7.8430 7.8430 k = 0.5837-0.1950-0.4389 ( 3980 PWs) bands (ev): -7.1854 -7.1854 -6.9978 -6.9978 -5.5433 -5.5433 -4.6333 -4.6333 -2.3804 -2.3804 -2.2222 -2.2222 0.1528 0.1528 2.6516 2.6516 3.2122 3.2122 3.6164 3.6164 3.7674 3.7674 3.9050 3.9050 4.6387 4.6387 4.7532 4.7532 5.1885 5.1885 5.4034 5.4034 6.1279 6.1279 6.3169 6.3169 6.7615 6.7615 6.8978 6.8978 7.5446 7.5446 7.6762 7.6762 7.8172 7.8172 k = 0.5772-0.1742-0.4017 ( 3978 PWs) bands (ev): -7.2158 -7.2158 -7.0278 -7.0278 -5.5711 -5.5711 -4.6531 -4.6531 -2.3634 -2.3634 -2.2040 -2.2040 0.2020 0.2020 2.7577 2.7577 3.3102 3.3102 3.6692 3.6692 3.8374 3.8374 3.9615 3.9615 4.6797 4.6797 4.8111 4.8111 5.2682 5.2682 5.4251 5.4251 6.1467 6.1467 6.3268 6.3268 6.7760 6.7760 6.9135 6.9135 7.4816 7.4816 7.5975 7.5975 7.7972 7.7972 k = 0.5708-0.1534-0.3645 ( 3970 PWs) bands (ev): -7.2438 -7.2438 -7.0554 -7.0554 -5.5968 -5.5968 -4.6715 -4.6715 -2.3485 -2.3485 -2.1883 -2.1883 0.2490 0.2490 2.8666 2.8666 3.4036 3.4036 3.7138 3.7138 3.9081 3.9081 4.0139 4.0139 4.7222 4.7222 4.8784 4.8784 5.3370 5.3370 5.4553 5.4553 6.1414 6.1414 6.3285 6.3285 6.7878 6.7878 6.9301 6.9301 7.4361 7.4361 7.5286 7.5286 7.7837 7.7837 k = 0.5644-0.1326-0.3274 ( 3960 PWs) bands (ev): -7.2694 -7.2694 -7.0808 -7.0808 -5.6204 -5.6204 -4.6886 -4.6886 -2.3355 -2.3355 -2.1750 -2.1750 0.2934 0.2934 2.9770 2.9770 3.4883 3.4883 3.7572 3.7572 3.9774 3.9774 4.0619 4.0619 4.7650 4.7650 4.9549 4.9549 5.3761 5.3761 5.5104 5.5104 6.1125 6.1125 6.3286 6.3286 6.7810 6.7810 6.9507 6.9507 7.4060 7.4060 7.4772 7.4772 7.7775 7.7775 k = 0.5579-0.1118-0.2902 ( 3966 PWs) bands (ev): -7.2926 -7.2926 -7.1037 -7.1037 -5.6419 -5.6419 -4.7042 -4.7042 -2.3244 -2.3244 -2.1637 -2.1637 0.3348 0.3348 3.0871 3.0871 3.5601 3.5601 3.8058 3.8058 4.0433 4.0433 4.1061 4.1061 4.8079 4.8079 5.0382 5.0382 5.3861 5.3861 5.5868 5.5868 6.0658 6.0658 6.3335 6.3335 6.7393 6.7393 6.9811 6.9811 7.3736 7.3736 7.4615 7.4615 7.7786 7.7786 k = 0.5515-0.0909-0.2530 ( 3968 PWs) bands (ev): -7.3134 -7.3134 -7.1243 -7.1243 -5.6611 -5.6611 -4.7183 -4.7183 -2.3149 -2.3149 -2.1543 -2.1543 0.3730 0.3730 3.1943 3.1943 3.6179 3.6179 3.8623 3.8623 4.1039 4.1039 4.1485 4.1485 4.8510 4.8510 5.1236 5.1236 5.3802 5.3802 5.6672 5.6672 6.0136 6.0136 6.3449 6.3449 6.6676 6.6676 7.0128 7.0128 7.3350 7.3350 7.4792 7.4792 7.7861 7.7861 k = 0.5450-0.0701-0.2159 ( 3970 PWs) bands (ev): -7.3318 -7.3318 -7.1425 -7.1425 -5.6782 -5.6782 -4.7309 -4.7309 -2.3069 -2.3069 -2.1465 -2.1465 0.4075 0.4075 3.2941 3.2941 3.6673 3.6673 3.9236 3.9236 4.1559 4.1559 4.1934 4.1934 4.8937 4.8937 5.2016 5.2016 5.3687 5.3687 5.7362 5.7362 5.9742 5.9742 6.3617 6.3617 6.5781 6.5781 7.0357 7.0357 7.3011 7.3011 7.5111 7.5111 7.7957 7.7957 k = 0.5386-0.0493-0.1787 ( 3968 PWs) bands (ev): -7.3477 -7.3477 -7.1583 -7.1583 -5.6930 -5.6930 -4.7418 -4.7418 -2.3002 -2.3002 -2.1401 -2.1401 0.4381 0.4381 3.3801 3.3801 3.7181 3.7181 3.9833 3.9833 4.1983 4.1983 4.2425 4.2425 4.9326 4.9326 5.2454 5.2454 5.3782 5.3782 5.7705 5.7705 5.9758 5.9758 6.3767 6.3767 6.4856 6.4856 7.0446 7.0446 7.2766 7.2766 7.5425 7.5425 7.7852 7.7852 k = 0.5322-0.0285-0.1415 ( 3964 PWs) bands (ev): -7.3612 -7.3612 -7.1717 -7.1717 -5.7055 -5.7055 -4.7512 -4.7512 -2.2948 -2.2948 -2.1350 -2.1350 0.4644 0.4644 3.4460 3.4460 3.7782 3.7782 4.0359 4.0359 4.2370 4.2370 4.2915 4.2915 4.9567 4.9567 5.2423 5.2423 5.4292 5.4292 5.7647 5.7647 6.0264 6.0264 6.3377 6.3377 6.4478 6.4478 7.0382 7.0382 7.2635 7.2635 7.5596 7.5596 7.7178 7.7178 k = 0.5257-0.0077-0.1044 ( 3964 PWs) bands (ev): -7.3723 -7.3723 -7.1827 -7.1827 -5.7158 -5.7158 -4.7588 -4.7588 -2.2905 -2.2905 -2.1311 -2.1311 0.4862 0.4862 3.4900 3.4900 3.8479 3.8479 4.0784 4.0784 4.2783 4.2783 4.3357 4.3357 4.9451 4.9451 5.2451 5.2451 5.4877 5.4877 5.7474 5.7474 6.0960 6.0960 6.2424 6.2424 6.4720 6.4720 7.0181 7.0181 7.2612 7.2612 7.5443 7.5443 7.6434 7.6434 k = 0.5193 0.0131-0.0672 ( 3962 PWs) bands (ev): -7.3809 -7.3809 -7.1912 -7.1912 -5.7239 -5.7239 -4.7648 -4.7648 -2.2872 -2.2872 -2.1281 -2.1281 0.5035 0.5035 3.5168 3.5168 3.9184 3.9184 4.1098 4.1098 4.3270 4.3270 4.3725 4.3725 4.8894 4.8894 5.2814 5.2814 5.5305 5.5305 5.7373 5.7373 6.1166 6.1166 6.1945 6.1945 6.5060 6.5060 6.9875 6.9875 7.2666 7.2666 7.4846 7.4846 7.6072 7.6072 k = 0.5129 0.0339-0.0300 ( 3956 PWs) bands (ev): -7.3871 -7.3871 -7.1973 -7.1973 -5.7296 -5.7296 -4.7691 -4.7691 -2.2849 -2.2849 -2.1260 -2.1260 0.5159 0.5159 3.5321 3.5321 3.9775 3.9775 4.1306 4.1306 4.3865 4.3865 4.3998 4.3998 4.8079 4.8079 5.3403 5.3403 5.5438 5.5438 5.7447 5.7447 6.0322 6.0322 6.2519 6.2519 6.5395 6.5395 6.9511 6.9511 7.2758 7.2758 7.4204 7.4204 7.5874 7.5874 k = 0.5064 0.0547 0.0071 ( 3956 PWs) bands (ev): -7.3908 -7.3908 -7.2010 -7.2010 -5.7330 -5.7330 -4.7717 -4.7717 -2.2836 -2.2836 -2.1248 -2.1248 0.5233 0.5233 3.5399 3.5399 4.0158 4.0158 4.1422 4.1422 4.4165 4.4165 4.4525 4.4525 4.7237 4.7237 5.4052 5.4052 5.5249 5.5249 5.7682 5.7682 5.9579 5.9579 6.2990 6.2990 6.5663 6.5663 6.9180 6.9180 7.2839 7.2839 7.3779 7.3779 7.5731 7.5731 k = 0.5000 0.0755 0.0443 ( 3964 PWs) bands (ev): -7.3920 -7.3920 -7.2022 -7.2022 -5.7342 -5.7342 -4.7725 -4.7725 -2.2832 -2.2832 -2.1244 -2.1244 0.5258 0.5258 3.5423 3.5423 4.0289 4.0289 4.1458 4.1458 4.4221 4.4221 4.4910 4.4910 4.6785 4.6785 5.4486 5.4486 5.4970 5.4970 5.7847 5.7847 5.9245 5.9245 6.3165 6.3165 6.5772 6.5772 6.9037 6.9037 7.2870 7.2870 7.3636 7.3636 7.5675 7.5675 k = 0.5000 0.0755 0.0443 ( 3964 PWs) bands (ev): -7.3920 -7.3920 -7.2022 -7.2022 -5.7342 -5.7342 -4.7725 -4.7725 -2.2832 -2.2832 -2.1244 -2.1244 0.5258 0.5258 3.5423 3.5423 4.0289 4.0289 4.1458 4.1458 4.4221 4.4221 4.4910 4.4910 4.6785 4.6785 5.4486 5.4486 5.4970 5.4970 5.7847 5.7847 5.9245 5.9245 6.3165 6.3165 6.5772 6.5772 6.9037 6.9037 7.2870 7.2870 7.3636 7.3636 7.5675 7.5675 k = 0.4583 0.0693 0.0406 ( 3958 PWs) bands (ev): -7.3926 -7.3926 -7.2013 -7.2013 -5.7359 -5.7359 -4.7697 -4.7697 -2.3172 -2.3172 -2.0896 -2.0896 0.5222 0.5222 3.5455 3.5455 4.0283 4.0283 4.1472 4.1472 4.4221 4.4221 4.4911 4.4911 4.6758 4.6758 5.4474 5.4474 5.4972 5.4972 5.7858 5.7858 5.9250 5.9250 6.3150 6.3150 6.5759 6.5759 6.9067 6.9067 7.2906 7.2906 7.3633 7.3633 7.5660 7.5660 k = 0.4167 0.0630 0.0369 ( 3961 PWs) bands (ev): -7.3943 -7.3943 -7.1987 -7.1987 -5.7409 -5.7409 -4.7614 -4.7614 -2.3828 -2.3828 -2.0216 -2.0216 0.5116 0.5116 3.5549 3.5549 4.0268 4.0268 4.1512 4.1512 4.4219 4.4219 4.4913 4.4913 4.6676 4.6676 5.4441 5.4441 5.4975 5.4975 5.7890 5.7890 5.9266 5.9266 6.3105 6.3105 6.5722 6.5722 6.9156 6.9156 7.3011 7.3011 7.3625 7.3625 7.5617 7.5617 k = 0.3750 0.0567 0.0332 ( 3964 PWs) bands (ev): -7.3969 -7.3969 -7.1946 -7.1946 -5.7487 -5.7487 -4.7482 -4.7482 -2.4539 -2.4539 -1.9466 -1.9466 0.4946 0.4946 3.5700 3.5700 4.0243 4.0243 4.1580 4.1580 4.4217 4.4217 4.4916 4.4916 4.6542 4.6542 5.4396 5.4396 5.4974 5.4974 5.7941 5.7941 5.9290 5.9290 6.3034 6.3034 6.5664 6.5664 6.9299 6.9299 7.3184 7.3184 7.3606 7.3606 7.5551 7.5551 k = 0.3333 0.0504 0.0295 ( 3958 PWs) bands (ev): -7.4002 -7.4002 -7.1894 -7.1894 -5.7586 -5.7586 -4.7310 -4.7310 -2.5240 -2.5240 -1.8713 -1.8713 0.4722 0.4722 3.5899 3.5899 4.0211 4.0211 4.1675 4.1675 4.4214 4.4214 4.4920 4.4920 4.6358 4.6358 5.4346 5.4346 5.4964 5.4964 5.8007 5.8007 5.9324 5.9324 6.2942 6.2942 6.5592 6.5592 6.9489 6.9489 7.3419 7.3419 7.3570 7.3570 7.5468 7.5468 k = 0.2917 0.0441 0.0258 ( 3958 PWs) bands (ev): -7.4039 -7.4039 -7.1835 -7.1835 -5.7699 -5.7699 -4.7110 -4.7110 -2.5906 -2.5906 -1.7985 -1.7985 0.4458 0.4458 3.6132 3.6132 4.0173 4.0173 4.1798 4.1798 4.4210 4.4210 4.4924 4.4924 4.6126 4.6126 5.4299 5.4299 5.4943 5.4943 5.8082 5.8082 5.9364 5.9364 6.2835 6.2835 6.5511 6.5511 6.9720 6.9720 7.3508 7.3508 7.3710 7.3710 7.5379 7.5379 k = 0.2500 0.0378 0.0221 ( 3955 PWs) bands (ev): -7.4076 -7.4076 -7.1773 -7.1773 -5.7818 -5.7818 -4.6896 -4.6896 -2.6519 -2.6519 -1.7301 -1.7301 0.4169 0.4169 3.6386 3.6386 4.0132 4.0132 4.1950 4.1950 4.4206 4.4206 4.4929 4.4929 4.5853 4.5853 5.4259 5.4259 5.4913 5.4913 5.8163 5.8163 5.9410 5.9410 6.2720 6.2720 6.5429 6.5429 6.9985 6.9985 7.3409 7.3409 7.4051 7.4051 7.5295 7.5295 k = 0.2083 0.0315 0.0185 ( 3967 PWs) bands (ev): -7.4112 -7.4112 -7.1713 -7.1713 -5.7934 -5.7934 -4.6682 -4.6682 -2.7067 -2.7067 -1.6678 -1.6678 0.3875 0.3875 3.6644 3.6644 4.0090 4.0090 4.2133 4.2133 4.4202 4.4202 4.4934 4.4934 4.5544 4.5544 5.4229 5.4229 5.4876 5.4876 5.8242 5.8242 5.9457 5.9457 6.2604 6.2604 6.5349 6.5349 7.0278 7.0278 7.3266 7.3266 7.4435 7.4435 7.5224 7.5224 k = 0.1667 0.0252 0.0148 ( 3967 PWs) bands (ev): -7.4144 -7.4144 -7.1659 -7.1659 -5.8040 -5.8040 -4.6481 -4.6481 -2.7538 -2.7538 -1.6135 -1.6135 0.3595 0.3595 3.6888 3.6888 4.0048 4.0048 4.2349 4.2349 4.4198 4.4198 4.4938 4.4938 4.5208 4.5208 5.4209 5.4209 5.4834 5.4834 5.8316 5.8316 5.9505 5.9505 6.2495 6.2495 6.5278 6.5278 7.0592 7.0592 7.3075 7.3075 7.4855 7.4855 7.5171 7.5171 k = 0.1250 0.0189 0.0111 ( 3949 PWs) bands (ev): -7.4170 -7.4170 -7.1612 -7.1612 -5.8129 -5.8129 -4.6308 -4.6308 -2.7918 -2.7918 -1.5688 -1.5688 0.3350 0.3350 3.7101 3.7101 4.0010 4.0010 4.2594 4.2594 4.4195 4.4195 4.4857 4.4857 4.4942 4.4942 5.4198 5.4198 5.4794 5.4794 5.8379 5.8379 5.9548 5.9548 6.2401 6.2401 6.5218 6.5218 7.0921 7.0921 7.2839 7.2839 7.5137 7.5137 7.5304 7.5304 k = 0.0833 0.0126 0.0074 ( 3945 PWs) bands (ev): -7.4190 -7.4190 -7.1577 -7.1577 -5.8197 -5.8197 -4.6174 -4.6174 -2.8199 -2.8199 -1.5355 -1.5355 0.3158 0.3158 3.7267 3.7267 3.9978 3.9978 4.2861 4.2861 4.4193 4.4193 4.4508 4.4508 4.4945 4.4945 5.4193 5.4193 5.4760 5.4760 5.8426 5.8426 5.9582 5.9582 6.2327 6.2327 6.5173 6.5173 7.1259 7.1259 7.2564 7.2564 7.5118 7.5118 7.5777 7.5777 k = 0.0417 0.0063 0.0037 ( 3939 PWs) bands (ev): -7.4202 -7.4202 -7.1556 -7.1556 -5.8239 -5.8239 -4.6090 -4.6090 -2.8371 -2.8371 -1.5148 -1.5148 0.3036 0.3036 3.7372 3.7372 3.9958 3.9958 4.3118 4.3118 4.4191 4.4191 4.4198 4.4198 4.4947 4.4947 5.4193 5.4193 5.4737 5.4737 5.8456 5.8456 5.9605 5.9605 6.2281 6.2281 6.5145 6.5145 7.1599 7.1599 7.2261 7.2261 7.5109 7.5109 7.6266 7.6266 k = 0.0000 0.0000 0.0000 ( 3939 PWs) bands (ev): -7.4206 -7.4206 -7.1548 -7.1548 -5.8253 -5.8253 -4.6061 -4.6061 -2.8429 -2.8429 -1.5079 -1.5079 0.2994 0.2994 3.7409 3.7409 3.9951 3.9951 4.3251 4.3251 4.4047 4.4047 4.4191 4.4191 4.4947 4.4947 5.4193 5.4193 5.4729 5.4729 5.8466 5.8466 5.9612 5.9612 6.2265 6.2265 6.5135 6.5135 7.1910 7.1910 7.1962 7.1962 7.5106 7.5106 7.6696 7.6696 k = 0.0000 0.0000 0.0000 ( 3939 PWs) bands (ev): -7.4206 -7.4206 -7.1548 -7.1548 -5.8253 -5.8253 -4.6061 -4.6061 -2.8429 -2.8429 -1.5079 -1.5079 0.2994 0.2994 3.7409 3.7409 3.9951 3.9951 4.3251 4.3251 4.4047 4.4047 4.4191 4.4191 4.4947 4.4947 5.4193 5.4193 5.4729 5.4729 5.8466 5.8466 5.9612 5.9612 6.2265 6.2265 6.5135 6.5135 7.1910 7.1910 7.1962 7.1962 7.5106 7.5106 7.6696 7.6696 k = 0.0065-0.0209-0.0373 ( 3943 PWs) bands (ev): -7.4193 -7.4193 -7.1536 -7.1536 -5.8241 -5.8241 -4.6053 -4.6053 -2.8428 -2.8428 -1.5094 -1.5094 0.2982 0.2982 3.7281 3.7281 3.9843 3.9843 4.3095 4.3095 4.3580 4.3580 4.4710 4.4710 4.5082 4.5082 5.3854 5.3854 5.4896 5.4896 5.8260 5.8260 6.0009 6.0009 6.2125 6.2125 6.5189 6.5189 7.1669 7.1669 7.2158 7.2158 7.5058 7.5058 7.6617 7.6617 k = 0.0129-0.0418-0.0746 ( 3935 PWs) bands (ev): -7.4156 -7.4156 -7.1500 -7.1500 -5.8206 -5.8206 -4.6028 -4.6028 -2.8424 -2.8424 -1.5140 -1.5140 0.2946 0.2946 3.6913 3.6913 3.9528 3.9528 4.2705 4.2705 4.3172 4.3172 4.5142 4.5142 4.5501 4.5501 5.3300 5.3300 5.4977 5.4977 5.7988 5.7988 6.0797 6.0797 6.1792 6.1792 6.5298 6.5298 7.1260 7.1260 7.2416 7.2416 7.4960 7.4960 7.6472 7.6472 k = 0.0194-0.0627-0.1119 ( 3931 PWs) bands (ev): -7.4093 -7.4093 -7.1439 -7.1439 -5.8147 -5.8147 -4.5987 -4.5987 -2.8418 -2.8418 -1.5216 -1.5216 0.2886 0.2886 3.6342 3.6342 3.9032 3.9032 4.2239 4.2239 4.2828 4.2828 4.5329 4.5329 4.6084 4.6084 5.2802 5.2802 5.4814 5.4814 5.7839 5.7839 6.1131 6.1131 6.1936 6.1936 6.5378 6.5378 7.0712 7.0712 7.2649 7.2649 7.4959 7.4959 7.6382 7.6382 k = 0.0258-0.0836-0.1492 ( 3937 PWs) bands (ev): -7.4006 -7.4006 -7.1354 -7.1354 -5.8065 -5.8065 -4.5930 -4.5930 -2.8410 -2.8410 -1.5324 -1.5324 0.2800 0.2800 3.5614 3.5614 3.8398 3.8398 4.1765 4.1765 4.2489 4.2489 4.5304 4.5304 4.6640 4.6640 5.2480 5.2480 5.4452 5.4452 5.7800 5.7800 6.0664 6.0664 6.2823 6.2823 6.5400 6.5400 7.0118 7.0118 7.2726 7.2726 7.5225 7.5225 7.6397 7.6397 k = 0.0323-0.1044-0.1865 ( 3937 PWs) bands (ev): -7.3894 -7.3894 -7.1245 -7.1245 -5.7960 -5.7960 -4.5858 -4.5858 -2.8402 -2.8402 -1.5463 -1.5463 0.2689 0.2689 3.4773 3.4773 3.7670 3.7670 4.1279 4.1279 4.2123 4.2123 4.5041 4.5041 4.7116 4.7116 5.2360 5.2360 5.4003 5.4003 5.7821 5.7821 6.0137 6.0137 6.3516 6.3516 6.5423 6.5423 6.9643 6.9643 7.2663 7.2663 7.5702 7.5702 7.6567 7.6567 k = 0.0388-0.1253-0.2238 ( 3943 PWs) bands (ev): -7.3757 -7.3757 -7.1111 -7.1111 -5.7832 -5.7832 -4.5769 -4.5769 -2.8393 -2.8393 -1.5634 -1.5634 0.2551 0.2551 3.3854 3.3854 3.6885 3.6885 4.0764 4.0764 4.1704 4.1704 4.4571 4.4571 4.7471 4.7471 5.2315 5.2315 5.3646 5.3646 5.7863 5.7863 5.9597 5.9597 6.3708 6.3708 6.5503 6.5503 6.9529 6.9529 7.2574 7.2574 7.6108 7.6108 7.7030 7.7030 k = 0.0452-0.1462-0.2611 ( 3949 PWs) bands (ev): -7.3595 -7.3595 -7.0954 -7.0954 -5.7680 -5.7680 -4.5665 -4.5665 -2.8385 -2.8385 -1.5838 -1.5838 0.2386 0.2386 3.2884 3.2884 3.6069 3.6069 4.0207 4.0207 4.1211 4.1211 4.3973 4.3973 4.7665 4.7665 5.2111 5.2111 5.3609 5.3609 5.7904 5.7904 5.9046 5.9046 6.3437 6.3437 6.5476 6.5476 6.9949 6.9949 7.2532 7.2532 7.6373 7.6373 7.7738 7.7738 k = 0.0517-0.1671-0.2984 ( 3959 PWs) bands (ev): -7.3409 -7.3409 -7.0773 -7.0773 -5.7506 -5.7506 -4.5547 -4.5547 -2.8379 -2.8379 -1.6076 -1.6076 0.2192 0.2192 3.1882 3.1882 3.5242 3.5242 3.9603 3.9603 4.0629 4.0629 4.3319 4.3319 4.7655 4.7655 5.1770 5.1770 5.3837 5.3837 5.7900 5.7900 5.8515 5.8515 6.2918 6.2918 6.5292 6.5292 7.0762 7.0762 7.2574 7.2574 7.6629 7.6629 7.8477 7.8477 k = 0.0581-0.1880-0.3357 ( 3963 PWs) bands (ev): -7.3198 -7.3198 -7.0568 -7.0568 -5.7309 -5.7309 -4.5413 -4.5413 -2.8376 -2.8376 -1.6348 -1.6348 0.1967 0.1967 3.0862 3.0862 3.4417 3.4417 3.8952 3.8952 3.9956 3.9956 4.2655 4.2655 4.7420 4.7420 5.1456 5.1456 5.4090 5.4090 5.7673 5.7673 5.8216 5.8216 6.2289 6.2289 6.5089 6.5089 7.1653 7.1653 7.2760 7.2760 7.6951 7.6951 7.9130 7.9130 k = 0.0646-0.2089-0.3730 ( 3963 PWs) bands (ev): -7.2963 -7.2963 -7.0340 -7.0340 -5.7089 -5.7089 -4.5266 -4.5266 -2.8378 -2.8378 -1.6655 -1.6655 0.1713 0.1713 2.9832 2.9832 3.3603 3.3603 3.8259 3.8259 3.9202 3.9202 4.1998 4.1998 4.6986 4.6986 5.1203 5.1203 5.4163 5.4163 5.7283 5.7283 5.8187 5.8187 6.1633 6.1633 6.4963 6.4963 7.2251 7.2251 7.3256 7.3256 7.7388 7.7388 7.9653 7.9653 k = 0.0711-0.2298-0.4103 ( 3967 PWs) bands (ev): -7.2703 -7.2703 -7.0088 -7.0088 -5.6847 -5.6847 -4.5105 -4.5105 -2.8388 -2.8388 -1.6997 -1.6997 0.1427 0.1427 2.8801 2.8801 3.2807 3.2807 3.7531 3.7531 3.8392 3.8392 4.1344 4.1344 4.6412 4.6412 5.0971 5.0971 5.3880 5.3880 5.7087 5.7087 5.8201 5.8201 6.1011 6.1011 6.4948 6.4948 7.2527 7.2527 7.3943 7.3943 7.7963 7.7963 8.0063 8.0064 k = 0.0775-0.2507-0.4476 ( 3975 PWs) bands (ev): -7.2419 -7.2419 -6.9812 -6.9812 -5.6584 -5.6584 -4.4931 -4.4931 -2.8406 -2.8406 -1.7375 -1.7375 0.1110 0.1110 2.7772 2.7772 3.2034 3.2034 3.6765 3.6765 3.7559 3.7559 4.0685 4.0685 4.5756 4.5756 5.0702 5.0702 5.3236 5.3236 5.7130 5.7130 5.8195 5.8195 6.0480 6.0480 6.5049 6.5049 7.2709 7.2709 7.4508 7.4508 7.8602 7.8602 8.0456 8.0456 k = 0.0840-0.2715-0.4849 ( 3977 PWs) bands (ev): -7.2111 -7.2111 -6.9514 -6.9514 -5.6298 -5.6298 -4.4746 -4.4746 -2.8435 -2.8435 -1.7789 -1.7789 0.0762 0.0762 2.6752 2.6752 3.1287 3.1287 3.5948 3.5948 3.6751 3.6751 4.0010 4.0010 4.5054 4.5054 5.0351 5.0351 5.2372 5.2372 5.7287 5.7287 5.8132 5.8132 6.0093 6.0093 6.5257 6.5257 7.2855 7.2855 7.4887 7.4887 7.9077 7.9077 8.0966 8.0966 k = 0.0904-0.2924-0.5222 ( 3989 PWs) bands (ev): -7.1780 -7.1780 -6.9193 -6.9193 -5.5992 -5.5992 -4.4549 -4.4549 -2.8477 -2.8477 -1.8239 -1.8239 0.0384 0.0384 2.5742 2.5742 3.0566 3.0566 3.5064 3.5064 3.6007 3.6007 3.9314 3.9314 4.4329 4.4329 4.9892 4.9892 5.1410 5.1410 5.7437 5.7437 5.8004 5.8004 5.9883 5.9883 6.5552 6.5552 7.2961 7.2961 7.5116 7.5116 7.9269 7.9269 8.1342 8.1342 k = 0.0969-0.3133-0.5595 ( 3985 PWs) bands (ev): -7.1425 -7.1425 -6.8849 -6.8849 -5.5665 -5.5665 -4.4341 -4.4341 -2.8535 -2.8535 -1.8725 -1.8725 -0.0023 -0.0023 2.4748 2.4748 2.9871 2.9871 3.4124 3.4124 3.5341 3.5341 3.8597 3.8597 4.3590 4.3590 4.9303 4.9303 5.0431 5.0431 5.7433 5.7433 5.7931 5.7931 5.9829 5.9829 6.5911 6.5911 7.3004 7.3004 7.5250 7.5250 7.9307 7.9307 8.1182 8.1182 k = 0.1034-0.3342-0.5968 ( 3995 PWs) bands (ev): -7.1046 -7.1046 -6.8483 -6.8483 -5.5317 -5.5317 -4.4124 -4.4124 -2.8612 -2.8612 -1.9247 -1.9247 -0.0457 -0.0457 2.3772 2.3772 2.9197 2.9197 3.3155 3.3155 3.4740 3.4740 3.7862 3.7862 4.2845 4.2845 4.8566 4.8566 4.9495 4.9495 5.7208 5.7208 5.8007 5.8007 5.9870 5.9870 6.6305 6.6305 7.2960 7.2960 7.5344 7.5344 7.9315 7.9315 8.0794 8.0794 k = 0.1098-0.3551-0.6341 ( 3991 PWs) bands (ev): -7.0645 -7.0645 -6.8095 -6.8095 -5.4950 -5.4950 -4.3898 -4.3898 -2.8709 -2.8709 -1.9803 -1.9803 -0.0916 -0.0916 2.2819 2.2819 2.8539 2.8539 3.2182 3.2182 3.4187 3.4187 3.7120 3.7120 4.2098 4.2098 4.7692 4.7692 4.8627 4.8627 5.6903 5.6903 5.8119 5.8119 5.9952 5.9952 6.6695 6.6695 7.2829 7.2829 7.5446 7.5446 7.9341 7.9341 8.0352 8.0352 k = 0.1163-0.3760-0.6714 ( 3999 PWs) bands (ev): -7.0220 -7.0220 -6.7686 -6.7686 -5.4563 -5.4563 -4.3665 -4.3665 -2.8830 -2.8830 -2.0392 -2.0392 -0.1398 -0.1398 2.1894 2.1894 2.7886 2.7886 3.1229 3.1229 3.3661 3.3661 3.6388 3.6388 4.1353 4.1353 4.6735 4.6735 4.7800 4.7800 5.6577 5.6577 5.8216 5.8216 6.0043 6.0043 6.7030 6.7030 7.2649 7.2649 7.5581 7.5581 7.9344 7.9344 7.9969 7.9969 k = 0.1227-0.3969-0.7087 ( 3995 PWs) bands (ev): -6.9773 -6.9773 -6.7255 -6.7255 -5.4158 -5.4158 -4.3426 -4.3426 -2.8977 -2.8977 -2.1014 -2.1014 -0.1900 -0.1900 2.1001 2.1001 2.7227 2.7227 3.0313 3.0313 3.3129 3.3129 3.5698 3.5698 4.0619 4.0619 4.5753 4.5753 4.6980 4.6980 5.6243 5.6243 5.8280 5.8280 6.0124 6.0124 6.7244 6.7244 7.2506 7.2506 7.5745 7.5745 7.9133 7.9133 7.9871 7.9871 k = 0.1292-0.4178-0.7460 ( 3999 PWs) bands (ev): -6.9304 -6.9304 -6.6803 -6.6803 -5.3735 -5.3735 -4.3182 -4.3182 -2.9152 -2.9152 -2.1666 -2.1666 -0.2419 -0.2419 2.0146 2.0146 2.6546 2.6546 2.9452 2.9452 3.2549 3.2549 3.5089 3.5089 3.9905 3.9905 4.4775 4.4775 4.6155 4.6155 5.5902 5.5902 5.8303 5.8303 6.0184 6.0184 6.7269 6.7269 7.2493 7.2493 7.5917 7.5917 7.8778 7.8778 8.0019 8.0019 k = 0.1356-0.4386-0.7833 ( 4001 PWs) bands (ev): -6.8813 -6.8813 -6.6331 -6.6331 -5.3294 -5.3294 -4.2935 -4.2935 -2.9359 -2.9359 -2.2347 -2.2347 -0.2953 -0.2953 1.9334 1.9334 2.5834 2.5834 2.8656 2.8656 3.1885 3.1885 3.4596 3.4596 3.9221 3.9221 4.3815 4.3815 4.5324 4.5324 5.5551 5.5551 5.8273 5.8273 6.0214 6.0214 6.7069 6.7069 7.2670 7.2670 7.6067 7.6067 7.8475 7.8475 8.0253 8.0253 k = 0.1421-0.4595-0.8206 ( 4009 PWs) bands (ev): -6.8301 -6.8301 -6.5839 -6.5839 -5.2837 -5.2837 -4.2685 -4.2685 -2.9597 -2.9597 -2.3054 -2.3054 -0.3499 -0.3499 1.8571 1.8571 2.5088 2.5088 2.7926 2.7926 3.1125 3.1125 3.4229 3.4229 3.8581 3.8581 4.2879 4.2879 4.4489 4.4489 5.5189 5.5189 5.8181 5.8181 6.0212 6.0212 6.6666 6.6666 7.3035 7.3035 7.6160 7.6160 7.8307 7.8307 8.0533 8.0534 k = 0.1486-0.4804-0.8579 ( 4009 PWs) bands (ev): -6.7767 -6.7767 -6.5327 -6.5327 -5.2365 -5.2365 -4.2436 -4.2436 -2.9870 -2.9870 -2.3786 -2.3786 -0.4056 -0.4056 1.7863 1.7863 2.4313 2.4313 2.7251 2.7251 3.0283 3.0283 3.3966 3.3966 3.7998 3.7998 4.1974 4.1974 4.3655 4.3655 5.4812 5.4812 5.8016 5.8016 6.0174 6.0174 6.6116 6.6116 7.3546 7.3546 7.6187 7.6187 7.8309 7.8309 8.0846 8.0846 k = 0.1550-0.5013-0.8952 ( 4015 PWs) bands (ev): -6.7213 -6.7213 -6.4797 -6.4797 -5.1879 -5.1879 -4.2188 -4.2188 -3.0178 -3.0178 -2.4539 -2.4539 -0.4621 -0.4621 1.7215 1.7215 2.3522 2.3522 2.6614 2.6614 2.9383 2.9383 3.3777 3.3777 3.7488 3.7488 4.1102 4.1102 4.2826 4.2826 5.4419 5.4419 5.7770 5.7770 6.0102 6.0102 6.5474 6.5474 7.4157 7.4157 7.6179 7.6179 7.8461 7.8461 8.1183 8.1183 k = 0.1615-0.5222-0.9325 ( 4011 PWs) bands (ev): -6.6638 -6.6638 -6.4248 -6.4248 -5.1379 -5.1379 -4.1943 -4.1943 -3.0522 -3.0522 -2.5311 -2.5311 -0.5194 -0.5194 1.6632 1.6632 2.2731 2.2731 2.5996 2.5996 2.8447 2.8447 3.3629 3.3629 3.7060 3.7060 4.0269 4.0269 4.2009 4.2009 5.4008 5.4008 5.7439 5.7439 5.9993 5.9993 6.4780 6.4780 7.4833 7.4833 7.6192 7.6192 7.8719 7.8719 8.1541 8.1541 k = 0.1679-0.5431-0.9698 ( 4015 PWs) bands (ev): -6.6044 -6.6044 -6.3682 -6.3682 -5.0867 -5.0867 -4.1703 -4.1703 -3.0901 -3.0901 -2.6100 -2.6100 -0.5773 -0.5773 1.6118 1.6118 2.1953 2.1953 2.5381 2.5381 2.7491 2.7491 3.3494 3.3494 3.6720 3.6720 3.9483 3.9483 4.1215 4.1215 5.3578 5.3578 5.7024 5.7024 5.9844 5.9844 6.4067 6.4067 7.5549 7.5549 7.6272 7.6272 7.9043 7.9043 8.1917 8.1917 k = 0.1744-0.5640-1.0071 ( 4013 PWs) bands (ev): -6.5431 -6.5431 -6.3099 -6.3099 -5.0345 -5.0345 -4.1471 -4.1471 -3.1315 -3.1315 -2.6903 -2.6903 -0.6357 -0.6357 1.5677 1.5677 2.1198 2.1198 2.4759 2.4759 2.6527 2.6527 3.3342 3.3342 3.6465 3.6465 3.8752 3.8752 4.0458 4.0458 5.3128 5.3128 5.6536 5.6536 5.9645 5.9645 6.3361 6.3361 7.6234 7.6234 7.6495 7.6495 7.9410 7.9410 8.2311 8.2311 k = 0.1809-0.5849-1.0444 ( 4015 PWs) bands (ev): -6.4799 -6.4799 -6.2500 -6.2500 -4.9814 -4.9814 -4.1247 -4.1247 -3.1763 -3.1763 -2.7716 -2.7716 -0.6944 -0.6944 1.5311 1.5311 2.0475 2.0475 2.4122 2.4122 2.5564 2.5564 3.3149 3.3149 3.6277 3.6277 3.8081 3.8081 3.9768 3.9768 5.2659 5.2659 5.5985 5.5985 5.9382 5.9382 6.2686 6.2686 7.6609 7.6609 7.7138 7.7138 7.9806 7.9806 8.2719 8.2719 k = 0.1873-0.6057-1.0817 ( 4021 PWs) bands (ev): -6.4150 -6.4150 -6.1885 -6.1885 -4.9275 -4.9275 -4.1036 -4.1036 -3.2244 -3.2244 -2.8537 -2.8537 -0.7535 -0.7535 1.5022 1.5022 1.9790 1.9790 2.3472 2.3472 2.4609 2.4609 3.2886 3.2886 3.6126 3.6126 3.7468 3.7468 3.9194 3.9194 5.2169 5.2169 5.5389 5.5389 5.9039 5.9039 6.2070 6.2070 7.6955 7.6955 7.7913 7.7913 8.0221 8.0221 8.3143 8.3143 k = 0.1938-0.6266-1.1190 ( 4023 PWs) bands (ev): -6.3484 -6.3484 -6.1256 -6.1256 -4.8731 -4.8731 -4.0839 -4.0839 -3.2754 -3.2754 -2.9363 -2.9363 -0.8127 -0.8127 1.4810 1.4810 1.9149 1.9149 2.2811 2.2811 2.3670 2.3670 3.2534 3.2534 3.5958 3.5958 3.6920 3.6920 3.8790 3.8790 5.1659 5.1659 5.4764 5.4764 5.8603 5.8603 6.1531 6.1531 7.7374 7.7374 7.8702 7.8702 8.0651 8.0651 8.3583 8.3583 k = 0.2002-0.6475-1.1563 ( 4021 PWs) bands (ev): -6.2801 -6.2801 -6.0614 -6.0614 -4.8184 -4.8184 -4.0658 -4.0658 -3.3292 -3.3292 -3.0190 -3.0190 -0.8720 -0.8720 1.4672 1.4672 1.8554 1.8554 2.2145 2.2145 2.2753 2.2753 3.2083 3.2083 3.5635 3.5635 3.6543 3.6543 3.8582 3.8582 5.1127 5.1127 5.4126 5.4126 5.8078 5.8078 6.1074 6.1074 7.7867 7.7867 7.9490 7.9490 8.1089 8.1089 8.4041 8.4041 k = 0.2067-0.6684-1.1936 ( 4019 PWs) bands (ev): -6.2103 -6.2103 -5.9960 -5.9960 -4.7636 -4.7636 -4.0497 -4.0497 -3.3854 -3.3854 -3.1015 -3.1015 -0.9310 -0.9310 1.4604 1.4604 1.8009 1.8009 2.1480 2.1480 2.1867 2.1867 3.1542 3.1542 3.5060 3.5060 3.6436 3.6436 3.8540 3.8540 5.0575 5.0575 5.3493 5.3493 5.7485 5.7485 6.0687 6.0687 7.8429 7.8429 8.0267 8.0267 8.1534 8.1534 8.4520 8.4520 k = 0.2132-0.6893-1.2309 ( 4021 PWs) bands (ev): -6.1390 -6.1390 -5.9294 -5.9294 -4.7090 -4.7090 -4.0360 -4.0360 -3.4437 -3.4437 -3.1834 -3.1834 -0.9897 -0.9897 1.4598 1.4598 1.7517 1.7517 2.0813 2.0813 2.1032 2.1032 3.0930 3.0930 3.4352 3.4352 3.6495 3.6495 3.8610 3.8610 5.0004 5.0004 5.2879 5.2879 5.6855 5.6855 6.0348 6.0348 7.9051 7.9051 8.1019 8.1019 8.1982 8.1982 8.5025 8.5025 k = 0.2196-0.7102-1.2682 ( 4027 PWs) bands (ev): -6.0664 -6.0664 -5.8619 -5.8619 -4.6550 -4.6550 -4.0249 -4.0249 -3.5038 -3.5038 -3.2643 -3.2643 -1.0477 -1.0477 1.4638 1.4638 1.7083 1.7083 2.0088 2.0088 2.0323 2.0323 3.0270 3.0270 3.3594 3.3594 3.6646 3.6646 3.8741 3.8741 4.9414 4.9414 5.2300 5.2300 5.6217 5.6217 6.0041 6.0041 7.9726 7.9726 8.1732 8.1732 8.2433 8.2433 8.5561 8.5561 k = 0.2261-0.7311-1.3055 ( 4029 PWs) bands (ev): -5.9925 -5.9925 -5.7935 -5.7935 -4.6018 -4.6018 -4.0169 -4.0169 -3.5652 -3.5652 -3.3436 -3.3436 -1.1047 -1.1047 1.4697 1.4697 1.6720 1.6720 1.9323 1.9323 1.9748 1.9748 2.9578 2.9578 3.2814 3.2814 3.6857 3.6857 3.8892 3.8892 4.8809 4.8809 5.1769 5.1769 5.5598 5.5598 5.9751 5.9751 8.0444 8.0444 8.2388 8.2388 8.2887 8.2887 8.6133 8.6133 k = 0.2325-0.7520-1.3428 ( 4031 PWs) bands (ev): -5.9175 -5.9175 -5.7243 -5.7243 -4.5500 -4.5500 -4.0127 -4.0127 -3.6274 -3.6274 -3.4206 -3.4206 -1.1604 -1.1604 1.4726 1.4726 1.6453 1.6453 1.8587 1.8587 1.9268 1.9268 2.8871 2.8871 3.2026 3.2026 3.7105 3.7105 3.9032 3.9032 4.8194 4.8194 5.1299 5.1299 5.5020 5.5020 5.9471 5.9471 8.1196 8.1196 8.2966 8.2966 8.3348 8.3348 8.6740 8.6740 k = 0.2390-0.7728-1.3801 ( 4021 PWs) bands (ev): -5.8415 -5.8415 -5.6547 -5.6547 -4.5000 -4.5000 -4.0131 -4.0131 -3.6899 -3.6899 -3.4945 -3.4945 -1.2144 -1.2144 1.4655 1.4655 1.6311 1.6311 1.7912 1.7912 1.8895 1.8895 2.8158 2.8158 3.1237 3.1237 3.7371 3.7371 3.9134 3.9134 4.7573 4.7573 5.0900 5.0900 5.4503 5.4503 5.9200 5.9200 8.1964 8.1964 8.3458 8.3458 8.3811 8.3811 8.7358 8.7358 k = 0.2455-0.7937-1.4174 ( 4027 PWs) bands (ev): -5.7646 -5.7646 -5.5846 -5.5846 -4.4527 -4.4527 -4.0192 -4.0192 -3.7520 -3.7520 -3.5640 -3.5640 -1.2665 -1.2665 1.4449 1.4449 1.6244 1.6244 1.7361 1.7361 1.8657 1.8657 2.7449 2.7449 3.0452 3.0452 3.7635 3.7635 3.9178 3.9178 4.6952 4.6952 5.0582 5.0582 5.4062 5.4062 5.8939 5.8939 8.2715 8.2715 8.3884 8.3884 8.4258 8.4258 8.7857 8.7857 k = 0.2519-0.8146-1.4547 ( 4027 PWs) bands (ev): -5.6871 -5.6871 -5.5144 -5.5144 -4.4089 -4.4089 -4.0323 -4.0323 -3.8127 -3.8127 -3.6275 -3.6275 -1.3161 -1.3161 1.4136 1.4136 1.6036 1.6036 1.7094 1.7094 1.8585 1.8585 2.6750 2.6750 2.9673 2.9673 3.7875 3.7875 3.9150 3.9150 4.6337 4.6337 5.0352 5.0352 5.3712 5.3712 5.8692 5.8692 8.3360 8.3360 8.4276 8.4276 8.4699 8.4699 8.7867 8.7867 k = 0.2584-0.8355-1.4920 ( 4023 PWs) bands (ev): -5.6089 -5.6089 -5.4441 -5.4441 -4.3701 -4.3701 -4.0541 -4.0541 -3.8706 -3.8706 -3.6836 -3.6836 -1.3630 -1.3630 1.3763 1.3763 1.5601 1.5601 1.7128 1.7128 1.8698 1.8698 2.6069 2.6069 2.8903 2.8903 3.8068 3.8068 3.9046 3.9046 4.5730 4.5730 5.0215 5.0215 5.3459 5.3459 5.8467 5.8467 8.3735 8.3735 8.4623 8.4623 8.5236 8.5236 8.7572 8.7572 k = 0.2648-0.8564-1.5293 ( 4027 PWs) bands (ev): -5.5305 -5.5305 -5.3741 -5.3741 -4.3386 -4.3386 -4.0855 -4.0855 -3.9235 -3.9235 -3.7307 -3.7307 -1.4069 -1.4069 1.3363 1.3363 1.5099 1.5099 1.7277 1.7277 1.8988 1.8988 2.5414 2.5414 2.8144 2.8144 3.8182 3.8182 3.8877 3.8877 4.5135 4.5135 5.0178 5.0178 5.3302 5.3302 5.8278 5.8278 8.3762 8.3762 8.4836 8.4836 8.5938 8.5938 8.7338 8.7338 k = 0.2713-0.8773-1.5666 ( 4021 PWs) bands (ev): -5.4518 -5.4518 -5.3046 -5.3046 -4.3180 -4.3180 -4.1266 -4.1266 -3.9679 -3.9679 -3.7688 -3.7688 -1.4474 -1.4474 1.2961 1.2961 1.4606 1.4606 1.7476 1.7476 1.9412 1.9412 2.4797 2.4797 2.7398 2.7398 3.8166 3.8166 3.8686 3.8686 4.4554 4.4554 5.0243 5.0243 5.3225 5.3225 5.8143 5.8143 8.3498 8.3498 8.4872 8.4872 8.6674 8.6674 8.7262 8.7262 k = 0.2778-0.8982-1.6039 ( 4017 PWs) bands (ev): -5.3733 -5.3733 -5.2359 -5.2359 -4.3130 -4.3130 -4.1760 -4.1760 -3.9993 -3.9993 -3.7989 -3.7989 -1.4841 -1.4841 1.2572 1.2572 1.4146 1.4146 1.7725 1.7725 1.9911 1.9911 2.4238 2.4238 2.6668 2.6668 3.7963 3.7963 3.8529 3.8529 4.3988 4.3988 5.0415 5.0415 5.3200 5.3200 5.8084 5.8084 8.3030 8.3030 8.4684 8.4684 8.7167 8.7167 8.7382 8.7382 k = 0.2842-0.9191-1.6412 ( 4017 PWs) bands (ev): -5.2950 -5.2950 -5.1682 -5.1682 -4.3270 -4.3270 -4.2312 -4.2312 -4.0142 -4.0142 -3.8230 -3.8230 -1.5170 -1.5170 1.2208 1.2208 1.3726 1.3726 1.8033 1.8033 2.0415 2.0415 2.3781 2.3781 2.5955 2.5955 3.7614 3.7614 3.8376 3.8376 4.3435 4.3435 5.0694 5.0694 5.3188 5.3188 5.8126 5.8126 8.2439 8.2439 8.4251 8.4251 8.7303 8.7303 8.7593 8.7593 k = 0.2907-0.9399-1.6785 ( 4015 PWs) bands (ev): -5.2174 -5.2174 -5.1020 -5.1020 -4.3583 -4.3583 -4.2902 -4.2902 -4.0144 -4.0144 -3.8430 -3.8430 -1.5458 -1.5458 1.1878 1.1878 1.3353 1.3353 1.8402 1.8402 2.0808 2.0808 2.3521 2.3521 2.5264 2.5264 3.7191 3.7191 3.8175 3.8175 4.2896 4.2896 5.1078 5.1078 5.3153 5.3153 5.8290 5.8290 8.1782 8.1782 8.3619 8.3619 8.7390 8.7390 8.7752 8.7752 k = 0.2971-0.9608-1.7158 ( 4011 PWs) bands (ev): -5.1408 -5.1408 -5.0377 -5.0377 -4.4015 -4.4015 -4.3508 -4.3508 -4.0051 -4.0051 -3.8603 -3.8603 -1.5702 -1.5702 1.1587 1.1587 1.3029 1.3029 1.8833 1.8833 2.0937 2.0937 2.3587 2.3587 2.4611 2.4611 3.6728 3.6728 3.7917 3.7917 4.2368 4.2368 5.1557 5.1557 5.3071 5.3071 5.8583 5.8583 8.1095 8.1095 8.2864 8.2864 8.7469 8.7469 8.7929 8.7929 k = 0.3036-0.9817-1.7531 ( 4011 PWs) bands (ev): -5.0656 -5.0656 -4.9759 -4.9759 -4.4513 -4.4513 -4.4117 -4.4117 -3.9915 -3.9915 -3.8758 -3.8758 -1.5904 -1.5904 1.1340 1.1340 1.2758 1.2758 1.9321 1.9321 2.0776 2.0776 2.3754 2.3754 2.4243 2.4243 3.6246 3.6246 3.7610 3.7610 4.1850 4.1850 5.2113 5.2113 5.2938 5.2938 5.8998 5.8998 8.0399 8.0399 8.2043 8.2043 8.7542 8.7542 8.8116 8.8116 k = 0.3101-1.0026-1.7904 ( 4015 PWs) bands (ev): -4.9924 -4.9924 -4.9175 -4.9175 -4.5041 -4.5041 -4.4712 -4.4712 -3.9766 -3.9766 -3.8901 -3.8901 -1.6063 -1.6063 1.1140 1.1140 1.2541 1.2541 1.9856 1.9856 2.0457 2.0457 2.3253 2.3253 2.4795 2.4795 3.5762 3.5762 3.7267 3.7267 4.1342 4.1342 5.2592 5.2592 5.2896 5.2896 5.9514 5.9514 7.9711 7.9711 8.1192 8.1192 8.7605 8.7605 8.8302 8.8302 k = 0.3165-1.0235-1.8277 ( 4009 PWs) bands (ev): -4.9225 -4.9225 -4.8643 -4.8643 -4.5572 -4.5572 -4.5274 -4.5274 -3.9624 -3.9624 -3.9033 -3.9033 -1.6180 -1.6180 1.0989 1.0989 1.2379 1.2379 2.0083 2.0083 2.0419 2.0419 2.2704 2.2704 2.5555 2.5555 3.5288 3.5288 3.6907 3.6907 4.0844 4.0844 5.2440 5.2440 5.3493 5.3493 6.0104 6.0104 7.9042 7.9042 8.0337 8.0337 8.7653 8.7653 8.8476 8.8476 k = 0.3230-1.0444-1.8651 ( 4011 PWs) bands (ev): -4.8584 -4.8584 -4.8198 -4.8198 -4.6073 -4.6073 -4.5767 -4.5767 -3.9495 -3.9495 -3.9155 -3.9155 -1.6256 -1.6256 1.0887 1.0887 1.2272 1.2272 1.9714 1.9714 2.0903 2.0903 2.2292 2.2292 2.6368 2.6368 3.4840 3.4840 3.6548 3.6548 4.0355 4.0355 5.2168 5.2168 5.4212 5.4212 6.0736 6.0736 7.8402 7.8402 7.9499 7.9499 8.7682 8.7682 8.8635 8.8635 k = 0.3294-1.0653-1.9024 ( 4005 PWs) bands (ev): -4.8085 -4.8085 -4.7927 -4.7927 -4.6459 -4.6459 -4.6102 -4.6102 -3.9384 -3.9384 -3.9264 -3.9264 -1.6293 -1.6293 1.0834 1.0834 1.2221 1.2221 1.9367 1.9367 2.0979 2.0979 2.2357 2.2357 2.7183 2.7183 3.4435 3.4435 3.6211 3.6211 3.9877 3.9877 5.1865 5.1865 5.4956 5.4956 6.1381 6.1381 7.7798 7.7798 7.8703 7.8703 8.7690 8.7690 8.8776 8.8776 k = 0.3359-1.0862-1.9397 ( 4003 PWs) bands (ev): -4.8007 -4.8007 -4.7914 -4.7914 -4.6500 -4.6500 -4.6147 -4.6147 -3.9359 -3.9359 -3.9288 -3.9288 -1.6294 -1.6294 1.0828 1.0828 1.2222 1.2222 1.9061 1.9061 2.0623 2.0623 2.2917 2.2917 2.7954 2.7954 3.4093 3.4093 3.5925 3.5925 3.9411 3.9411 5.1544 5.1544 5.5699 5.5699 6.2006 6.2006 7.7226 7.7226 7.7989 7.7989 8.7677 8.7677 8.8897 8.8897 k = 0.6641-1.0106-1.8954 ( 4003 PWs) bands (ev): -4.8007 -4.8007 -4.7914 -4.7914 -4.6500 -4.6500 -4.6147 -4.6147 -3.9359 -3.9359 -3.9288 -3.9288 -1.6294 -1.6294 1.0828 1.0828 1.2222 1.2222 1.9061 1.9061 2.0623 2.0623 2.2917 2.2917 2.7954 2.7954 3.4093 3.4093 3.5925 3.5925 3.9411 3.9411 5.1544 5.1544 5.5699 5.5699 6.2006 6.2006 7.7226 7.7226 7.7989 7.7989 8.7677 8.7677 8.8897 8.8897 k = 0.6578-0.9688-1.8954 ( 4009 PWs) bands (ev): -4.8322 -4.8322 -4.8190 -4.8190 -4.6169 -4.6169 -4.5934 -4.5934 -3.9432 -3.9432 -3.9207 -3.9207 -1.6264 -1.6264 1.0865 1.0865 1.2271 1.2271 1.8812 1.8812 2.0177 2.0177 2.3613 2.3613 2.8615 2.8615 3.3839 3.3839 3.5733 3.5733 3.8971 3.8971 5.1221 5.1221 5.6401 5.6401 6.2567 6.2567 7.6680 7.6680 7.7426 7.7426 8.7643 8.7643 8.8997 8.8997 k = 0.6515-0.9271-1.8954 ( 4015 PWs) bands (ev): -4.8763 -4.8763 -4.8608 -4.8608 -4.5777 -4.5777 -4.5569 -4.5569 -3.9483 -3.9483 -3.9135 -3.9135 -1.6205 -1.6205 1.0940 1.0940 1.2362 1.2362 1.8622 1.8622 1.9732 1.9732 2.4351 2.4351 2.9129 2.9129 3.3674 3.3674 3.5684 3.5684 3.8550 3.8550 5.0893 5.0893 5.7052 5.7052 6.3047 6.3047 7.6141 7.6141 7.7044 7.7044 8.7588 8.7588 8.9078 8.9078 k = 0.6452-0.8853-1.8954 ( 4017 PWs) bands (ev): -4.9240 -4.9240 -4.9063 -4.9063 -4.5460 -4.5460 -4.5118 -4.5118 -3.9507 -3.9507 -3.9065 -3.9065 -1.6121 -1.6121 1.1048 1.1048 1.2486 1.2486 1.8500 1.8500 1.9315 1.9315 2.5086 2.5086 2.9464 2.9464 3.3583 3.3583 3.5841 3.5841 3.8157 3.8157 5.0566 5.0566 5.7624 5.7624 6.3415 6.3415 7.5650 7.5650 7.6850 7.6850 8.7511 8.7511 8.9141 8.9141 k = 0.6389-0.8435-1.8954 ( 4015 PWs) bands (ev): -4.9722 -4.9722 -4.9523 -4.9523 -4.5199 -4.5199 -4.4672 -4.4672 -3.9502 -3.9502 -3.8990 -3.8990 -1.6016 -1.6016 1.1181 1.1181 1.2636 1.2636 1.8443 1.8443 1.8953 1.8953 2.5777 2.5777 2.9634 2.9634 3.3544 3.3544 3.6213 3.6213 3.7822 3.7822 5.0242 5.0242 5.8085 5.8085 6.3646 6.3646 7.5258 7.5258 7.6836 7.6836 8.7412 8.7412 8.9186 8.9186 k = 0.6326-0.8017-1.8954 ( 4019 PWs) bands (ev): -5.0196 -5.0196 -4.9977 -4.9977 -4.4987 -4.4987 -4.4267 -4.4267 -3.9466 -3.9466 -3.8903 -3.8903 -1.5891 -1.5891 1.1330 1.1330 1.2802 1.2802 1.8385 1.8385 1.8734 1.8734 2.6372 2.6372 2.9705 2.9705 3.3563 3.3563 3.6632 3.6632 3.7689 3.7689 4.9924 4.9924 5.8400 5.8400 6.3727 6.3727 7.5006 7.5006 7.6991 7.6991 8.7291 8.7291 8.9214 8.9214 k = 0.6262-0.7600-1.8954 ( 4017 PWs) bands (ev): -5.0657 -5.0657 -5.0419 -5.0419 -4.4826 -4.4826 -4.3916 -4.3916 -3.9398 -3.9398 -3.8799 -3.8799 -1.5750 -1.5750 1.1483 1.1483 1.2973 1.2973 1.8205 1.8205 1.8799 1.8799 2.6812 2.6812 2.9746 2.9746 3.3682 3.3682 3.6666 3.6666 3.8134 3.8134 4.9616 4.9616 5.8542 5.8542 6.3659 6.3659 7.4924 7.4924 7.7298 7.7298 8.7147 8.7147 8.9226 8.9226 k = 0.6199-0.7182-1.8954 ( 4017 PWs) bands (ev): -5.1101 -5.1101 -5.0845 -5.0845 -4.4713 -4.4713 -4.3625 -4.3625 -3.9302 -3.9302 -3.8672 -3.8672 -1.5596 -1.5596 1.1627 1.1627 1.3137 1.3137 1.8029 1.8029 1.9046 1.9046 2.7057 2.7057 2.9796 2.9796 3.3944 3.3944 3.6444 3.6444 3.8978 3.8978 4.9320 4.9320 5.8492 5.8492 6.3453 6.3453 7.5028 7.5028 7.7727 7.7727 8.6982 8.6982 8.9222 8.9222 k = 0.6136-0.6764-1.8954 ( 4023 PWs) bands (ev): -5.1527 -5.1527 -5.1255 -5.1255 -4.4645 -4.4645 -4.3396 -4.3396 -3.9182 -3.9182 -3.8520 -3.8520 -1.5432 -1.5432 1.1755 1.1755 1.3279 1.3279 1.7938 1.7938 1.9412 1.9412 2.7119 2.7119 2.9848 2.9848 3.4348 3.4348 3.6223 3.6223 3.9953 3.9953 4.9040 4.9040 5.8249 5.8249 6.3129 6.3129 7.5317 7.5317 7.8235 7.8235 8.6798 8.6798 8.9202 8.9202 k = 0.6073-0.6346-1.8954 ( 4019 PWs) bands (ev): -5.1933 -5.1933 -5.1646 -5.1646 -4.4616 -4.4616 -4.3227 -4.3227 -3.9044 -3.9044 -3.8345 -3.8345 -1.5260 -1.5260 1.1859 1.1859 1.3381 1.3381 1.7965 1.7965 1.9879 1.9879 2.7050 2.7050 2.9875 2.9875 3.4775 3.4775 3.6165 3.6165 4.0979 4.0979 4.8779 4.8779 5.7826 5.7826 6.2710 6.2710 7.5775 7.5775 7.8770 7.8770 8.6606 8.6606 8.9162 8.9162 k = 0.6010-0.5929-1.8954 ( 4007 PWs) bands (ev): -5.2318 -5.2318 -5.2018 -5.2018 -4.4619 -4.4619 -4.3113 -4.3113 -3.8893 -3.8893 -3.8150 -3.8150 -1.5083 -1.5083 1.1939 1.1939 1.3429 1.3429 1.8130 1.8130 2.0432 2.0432 2.6906 2.6906 2.9873 2.9873 3.4931 3.4931 3.6538 3.6538 4.2018 4.2018 4.8544 4.8544 5.7250 5.7250 6.2219 6.2219 7.6367 7.6367 7.9271 7.9271 8.6427 8.6427 8.9090 8.9090 k = 0.5947-0.5511-1.8954 ( 4007 PWs) bands (ev): -5.2683 -5.2683 -5.2370 -5.2370 -4.4647 -4.4647 -4.3046 -4.3046 -3.8735 -3.8735 -3.7943 -3.7943 -1.4902 -1.4902 1.1997 1.1997 1.3419 1.3419 1.8439 1.8439 2.1055 2.1055 2.6730 2.6730 2.9852 2.9852 3.4810 3.4810 3.7306 3.7306 4.3036 4.3036 4.8342 4.8342 5.6552 5.6552 6.1678 6.1678 7.7046 7.7046 7.9677 7.9677 8.6293 8.6293 8.8950 8.8950 k = 0.5884-0.5093-1.8954 ( 4009 PWs) bands (ev): -5.3025 -5.3025 -5.2701 -5.2701 -4.4694 -4.4694 -4.3017 -4.3017 -3.8576 -3.8576 -3.7729 -3.7729 -1.4722 -1.4722 1.2039 1.2039 1.3356 1.3356 1.8884 1.8884 2.1726 2.1726 2.6549 2.6549 2.9831 2.9831 3.4600 3.4600 3.8240 3.8240 4.3996 4.3996 4.8190 4.8190 5.5770 5.5770 6.1110 6.1110 7.7741 7.7741 7.9945 7.9945 8.6241 8.6241 8.8612 8.8612 k = 0.5821-0.4675-1.8954 ( 4009 PWs) bands (ev): -5.3345 -5.3345 -5.3011 -5.3011 -4.4755 -4.4755 -4.3018 -4.3018 -3.8420 -3.8420 -3.7515 -3.7515 -1.4543 -1.4543 1.2067 1.2067 1.3255 1.3255 1.9447 1.9447 2.2417 2.2417 2.6388 2.6388 2.9831 2.9831 3.4374 3.4374 3.9230 3.9230 4.4844 4.4844 4.8116 4.8116 5.4943 5.4943 6.0540 6.0540 7.8319 7.8319 8.0108 8.0108 8.6275 8.6275 8.7857 8.7857 k = 0.5757-0.4258-1.8954 ( 4011 PWs) bands (ev): -5.3643 -5.3643 -5.3300 -5.3300 -4.4824 -4.4824 -4.3040 -4.3040 -3.8270 -3.8270 -3.7306 -3.7306 -1.4367 -1.4367 1.2087 1.2087 1.3131 1.3131 2.0108 2.0108 2.3088 2.3088 2.6277 2.6277 2.9869 2.9869 3.4153 3.4153 4.0214 4.0214 4.5501 4.5501 4.8162 4.8162 5.4119 5.4119 5.9998 5.9998 7.8573 7.8573 8.0287 8.0287 8.6291 8.6291 8.6973 8.6973 k = 0.5694-0.3840-1.8954 ( 4017 PWs) bands (ev): -5.3918 -5.3918 -5.3566 -5.3566 -4.4899 -4.4899 -4.3078 -4.3078 -3.8128 -3.8128 -3.7108 -3.7108 -1.4198 -1.4198 1.2098 1.2098 1.2997 1.2997 2.0846 2.0846 2.3680 2.3680 2.6252 2.6252 2.9969 2.9969 3.3947 3.3947 4.1140 4.1140 4.5889 4.5889 4.8352 4.8352 5.3364 5.3364 5.9519 5.9519 7.8429 7.8429 8.0423 8.0423 8.5864 8.5864 8.6729 8.6729 k = 0.5631-0.3422-1.8954 ( 4017 PWs) bands (ev): -5.4169 -5.4169 -5.3810 -5.3810 -4.4974 -4.4974 -4.3126 -4.3126 -3.7996 -3.7996 -3.6922 -3.6922 -1.4037 -1.4037 1.2101 1.2101 1.2865 1.2865 2.1641 2.1641 2.4123 2.4123 2.6360 2.6360 3.0157 3.0157 3.3761 3.3761 4.1949 4.1949 4.6007 4.6007 4.8606 4.8606 5.2776 5.2776 5.9142 5.9142 7.8053 7.8053 8.0172 8.0172 8.5556 8.5556 8.6803 8.6803 k = 0.5568-0.3004-1.8954 ( 4023 PWs) bands (ev): -5.4397 -5.4397 -5.4032 -5.4032 -4.5049 -4.5049 -4.3180 -4.3180 -3.7876 -3.7876 -3.6752 -3.6752 -1.3886 -1.3886 1.2095 1.2095 1.2747 1.2747 2.2465 2.2465 2.4391 2.4391 2.6602 2.6602 3.0458 3.0458 3.3604 3.3604 4.2577 4.2577 4.5912 4.5912 4.8760 4.8760 5.2483 5.2483 5.8909 5.8909 7.7590 7.7590 7.9393 7.9393 8.5641 8.5641 8.6928 8.6928 k = 0.5505-0.2587-1.8954 ( 4025 PWs) bands (ev): -5.4602 -5.4602 -5.4230 -5.4230 -4.5121 -4.5121 -4.3236 -4.3236 -3.7768 -3.7768 -3.6599 -3.6599 -1.3746 -1.3746 1.2074 1.2074 1.2650 1.2650 2.3252 2.3252 2.4578 2.4578 2.6903 2.6903 3.0886 3.0886 3.3488 3.3488 4.2961 4.2961 4.5651 4.5651 4.8715 4.8715 5.2565 5.2565 5.8850 5.8850 7.7103 7.7103 7.8285 7.8285 8.5665 8.5665 8.7283 8.7283 k = 0.5442-0.2169-1.8954 ( 4029 PWs) bands (ev): -5.4783 -5.4783 -5.4406 -5.4406 -4.5188 -4.5188 -4.3290 -4.3290 -3.7673 -3.7673 -3.6463 -3.6463 -1.3619 -1.3619 1.2036 1.2036 1.2580 1.2580 2.3810 2.3810 2.4933 2.4933 2.7180 2.7180 3.1407 3.1407 3.3448 3.3448 4.3049 4.3049 4.5279 4.5279 4.8502 4.8502 5.2982 5.2982 5.8969 5.8969 7.6487 7.6487 7.7197 7.7197 8.5313 8.5313 8.7889 8.7889 k = 0.5379-0.1751-1.8954 ( 4021 PWs) bands (ev): -5.4940 -5.4940 -5.4559 -5.4559 -4.5248 -4.5248 -4.3342 -4.3342 -3.7590 -3.7590 -3.6346 -3.6346 -1.3507 -1.3507 1.1985 1.1985 1.2538 1.2538 2.3992 2.3992 2.5634 2.5634 2.7399 2.7399 3.1908 3.1908 3.3571 3.3571 4.2806 4.2806 4.4889 4.4889 4.8187 4.8187 5.3629 5.3629 5.9244 5.9244 7.5346 7.5346 7.6665 7.6665 8.4679 8.4679 8.8039 8.8039 k = 0.5316-0.1333-1.8954 ( 4019 PWs) bands (ev): -5.5073 -5.5073 -5.4688 -5.4688 -4.5301 -4.5301 -4.3388 -4.3388 -3.7520 -3.7520 -3.6246 -3.6246 -1.3409 -1.3409 1.1927 1.1927 1.2517 1.2517 2.4007 2.4007 2.6476 2.6476 2.7564 2.7564 3.2210 3.2210 3.3991 3.3991 4.2267 4.2267 4.4540 4.4540 4.7820 4.7820 5.4406 5.4406 5.9632 5.9632 7.4007 7.4007 7.6452 7.6452 8.3892 8.3892 8.7933 8.7933 k = 0.5252-0.0916-1.8954 ( 4016 PWs) bands (ev): -5.5182 -5.5182 -5.4794 -5.4794 -4.5345 -4.5345 -4.3428 -4.3428 -3.7464 -3.7464 -3.6166 -3.6166 -1.3329 -1.3329 1.1870 1.1870 1.2509 1.2509 2.3977 2.3977 2.7296 2.7296 2.7709 2.7709 3.2296 3.2296 3.4678 3.4678 4.1548 4.1548 4.4207 4.4207 4.7453 4.7453 5.5217 5.5217 6.0091 6.0091 7.2687 7.2687 7.6397 7.6397 8.3049 8.3049 8.7848 8.7848 k = 0.5189-0.0498-1.8954 ( 4010 PWs) bands (ev): -5.5266 -5.5266 -5.4877 -5.4877 -4.5380 -4.5380 -4.3460 -4.3460 -3.7420 -3.7420 -3.6103 -3.6103 -1.3265 -1.3265 1.1820 1.1820 1.2509 1.2509 2.3940 2.3940 2.7693 2.7693 2.8180 2.8180 3.2273 3.2273 3.5478 3.5478 4.0768 4.0768 4.3861 4.3861 4.7134 4.7134 5.5970 5.5970 6.0579 6.0579 7.1471 7.1471 7.6469 7.6469 8.2229 8.2229 8.7787 8.7787 k = 0.5126-0.0080-1.8954 ( 4010 PWs) bands (ev): -5.5327 -5.5327 -5.4936 -5.4936 -4.5406 -4.5406 -4.3483 -4.3483 -3.7388 -3.7388 -3.6058 -3.6058 -1.3219 -1.3219 1.1783 1.1783 1.2510 1.2510 2.3908 2.3908 2.7767 2.7767 2.8819 2.8819 3.2210 3.2210 3.6271 3.6271 4.0015 4.0015 4.3522 4.3522 4.6898 4.6898 5.6576 5.6576 6.1047 6.1047 7.0445 7.0445 7.6625 7.6625 8.1514 8.1514 8.7746 8.7746 k = 0.5063 0.0338-1.8954 ( 4012 PWs) bands (ev): -5.5363 -5.5363 -5.4972 -5.4972 -4.5421 -4.5421 -4.3497 -4.3497 -3.7370 -3.7370 -3.6032 -3.6032 -1.3192 -1.3192 1.1759 1.1759 1.2512 1.2512 2.3887 2.3887 2.7801 2.7801 2.9270 2.9270 3.2146 3.2146 3.6948 3.6948 3.9379 3.9379 4.3262 4.3262 4.6757 4.6757 5.6967 5.6967 6.1409 6.1409 6.9734 6.9734 7.6790 7.6790 8.1003 8.1003 8.7722 8.7722 k = 0.5000 0.0755-1.8954 ( 4020 PWs) bands (ev): -5.5376 -5.5376 -5.4983 -5.4983 -4.5426 -4.5426 -4.3502 -4.3502 -3.7364 -3.7364 -3.6023 -3.6023 -1.3183 -1.3183 1.1751 1.1751 1.2513 1.2513 2.3880 2.3880 2.7812 2.7812 2.9435 2.9435 3.2117 3.2117 3.7264 3.7264 3.9080 3.9080 4.3162 4.3162 4.6710 4.6710 5.7101 5.7101 6.1550 6.1550 6.9474 6.9474 7.6864 7.6864 8.0813 8.0813 8.7714 8.7714 k = 0.5000 0.0755-1.8954 ( 4020 PWs) bands (ev): -5.5376 -5.5376 -5.4983 -5.4983 -4.5426 -4.5426 -4.3502 -4.3502 -3.7364 -3.7364 -3.6023 -3.6023 -1.3183 -1.3183 1.1751 1.1751 1.2513 1.2513 2.3880 2.3880 2.7812 2.7812 2.9435 2.9435 3.2117 3.2117 3.7264 3.7264 3.9080 3.9080 4.3162 4.3162 4.6710 4.6710 5.7101 5.7101 6.1550 6.1550 6.9474 6.9474 7.6864 7.6864 8.0813 8.0813 8.7714 8.7714 k = 0.5410 0.0817-1.8843 ( 4018 PWs) bands (ev): -5.5379 -5.5379 -5.4984 -5.4984 -4.5420 -4.5420 -4.3510 -4.3510 -3.7358 -3.7358 -3.6024 -3.6024 -1.3183 -1.3183 1.1432 1.1432 1.2879 1.2879 2.3901 2.3901 2.7818 2.7818 2.9422 2.9422 3.1972 3.1972 3.7049 3.7049 3.9296 3.9296 4.3201 4.3201 4.6854 4.6854 5.7080 5.7080 6.1439 6.1439 6.9572 6.9572 7.6928 7.6928 8.0808 8.0808 8.6307 8.6307 k = 0.5821 0.0879-1.8732 ( 4014 PWs) bands (ev): -5.5389 -5.5389 -5.4985 -5.4985 -4.5400 -4.5400 -4.3534 -4.3534 -3.7341 -3.7341 -3.6026 -3.6026 -1.3182 -1.3182 1.0940 1.0940 1.3508 1.3508 2.3963 2.3963 2.7838 2.7838 2.9382 2.9382 3.1563 3.1563 3.6568 3.6568 3.9773 3.9773 4.3322 4.3322 4.7259 4.7259 5.7021 5.7021 6.1124 6.1124 6.9843 6.9843 7.7116 7.7116 8.0786 8.0786 8.4525 8.4525 k = 0.6231 0.0941-1.8622 ( 4008 PWs) bands (ev): -5.5406 -5.5406 -5.4987 -5.4987 -4.5366 -4.5366 -4.3573 -4.3573 -3.7315 -3.7315 -3.6029 -3.6029 -1.3181 -1.3181 1.0470 1.0470 1.4203 1.4203 2.4066 2.4066 2.7866 2.7866 2.9318 2.9318 3.0953 3.0953 3.5985 3.5985 4.0324 4.0324 4.3538 4.3538 4.7861 4.7861 5.6934 5.6934 6.0655 6.0655 7.0240 7.0240 7.7418 7.7418 8.0723 8.0723 8.2821 8.2821 k = 0.6641 0.1003-1.8511 ( 4002 PWs) bands (ev): -5.5428 -5.5428 -5.4990 -5.4990 -4.5320 -4.5320 -4.3626 -4.3626 -3.7285 -3.7285 -3.6029 -3.6029 -1.3180 -1.3180 1.0047 1.0047 1.4935 1.4935 2.4208 2.4208 2.7892 2.7892 2.9227 2.9227 3.0226 3.0226 3.5363 3.5363 4.0863 4.0863 4.3863 4.3863 4.8579 4.8579 5.6835 5.6835 6.0086 6.0086 7.0702 7.0702 7.7808 7.7808 8.0422 8.0422 8.1454 8.1454 k = 0.6641 0.1003-1.8511 ( 4002 PWs) bands (ev): -5.5428 -5.5428 -5.4990 -5.4990 -4.5320 -4.5320 -4.3626 -4.3626 -3.7285 -3.7285 -3.6029 -3.6029 -1.3180 -1.3180 1.0047 1.0047 1.4935 1.4935 2.4208 2.4208 2.7892 2.7892 2.9227 2.9227 3.0226 3.0226 3.5363 3.5363 4.0863 4.0863 4.3863 4.3863 4.8579 4.8579 5.6835 5.6835 6.0086 6.0086 7.0702 7.0702 7.7808 7.7808 8.0422 8.0422 8.1454 8.1454 k = 0.6604 0.0998-1.8080 ( 4001 PWs) bands (ev): -5.5652 -5.5652 -5.5052 -5.5052 -4.5321 -4.5321 -4.3509 -4.3509 -3.7157 -3.7157 -3.6055 -3.6055 -1.3092 -1.3092 0.9804 0.9804 1.5489 1.5489 2.4207 2.4207 2.7879 2.7879 2.9193 2.9193 2.9765 2.9765 3.5665 3.5665 4.0756 4.0756 4.3840 4.3840 4.9049 4.9049 5.7003 5.7003 6.0200 6.0200 7.0628 7.0628 7.7702 7.7702 7.9827 7.9827 8.1133 8.1133 k = 0.6567 0.0992-1.7649 ( 4009 PWs) bands (ev): -5.5998 -5.5998 -5.5216 -5.5216 -4.5319 -4.5319 -4.3290 -4.3290 -3.7172 -3.7172 -3.5869 -3.5869 -1.2943 -1.2943 0.9614 0.9614 1.6043 1.6043 2.4274 2.4274 2.7878 2.7878 2.8951 2.8951 2.9566 2.9566 3.6001 3.6001 4.0653 4.0653 4.3822 4.3822 4.9574 4.9574 5.7206 5.7206 6.0328 6.0328 7.0573 7.0573 7.7583 7.7583 7.9076 7.9076 8.1060 8.1060 k = 0.6529 0.0987-1.7219 ( 4015 PWs) bands (ev): -5.6437 -5.6437 -5.5486 -5.5486 -4.5325 -4.5325 -4.2994 -4.2994 -3.7258 -3.7258 -3.5529 -3.5529 -1.2733 -1.2733 0.9477 0.9477 1.6587 1.6587 2.4407 2.4407 2.7840 2.7840 2.8607 2.8607 2.9596 2.9596 3.6366 3.6366 4.0552 4.0552 4.3819 4.3819 5.0127 5.0127 5.7444 5.7444 6.0471 6.0471 7.0537 7.0537 7.7408 7.7408 7.8382 7.8382 8.1070 8.1070 k = 0.6492 0.0981-1.6788 ( 4021 PWs) bands (ev): -5.6947 -5.6947 -5.5849 -5.5849 -4.5356 -4.5356 -4.2656 -4.2656 -3.7327 -3.7327 -3.5108 -3.5108 -1.2468 -1.2468 0.9395 0.9395 1.7110 1.7110 2.4596 2.4596 2.7659 2.7659 2.8458 2.8458 2.9696 2.9696 3.6757 3.6757 4.0456 4.0456 4.3839 4.3839 5.0682 5.0682 5.7714 5.7714 6.0633 6.0633 7.0524 7.0524 7.7063 7.7063 7.7908 7.7908 8.1121 8.1121 k = 0.6455 0.0975-1.6357 ( 4027 PWs) bands (ev): -5.7510 -5.7510 -5.6290 -5.6290 -4.5423 -4.5423 -4.2317 -4.2317 -3.7322 -3.7322 -3.4636 -3.4636 -1.2152 -1.2152 0.9368 0.9368 1.7604 1.7604 2.4814 2.4814 2.7391 2.7391 2.8523 2.8523 2.9833 2.9833 3.7170 3.7170 4.0366 4.0366 4.3886 4.3886 5.1219 5.1219 5.8013 5.8013 6.0816 6.0816 7.0534 7.0534 7.6534 7.6534 7.7690 7.7690 8.1201 8.1201 k = 0.6417 0.0970-1.5926 ( 4032 PWs) bands (ev): -5.8113 -5.8113 -5.6792 -5.6792 -4.5539 -4.5539 -4.2018 -4.2018 -3.7206 -3.7206 -3.4125 -3.4125 -1.1790 -1.1790 0.9397 0.9397 1.8061 1.8061 2.5014 2.5014 2.7203 2.7203 2.8703 2.8703 3.0001 3.0001 3.7600 3.7600 4.0286 4.0286 4.3963 4.3963 5.1721 5.1721 5.8327 5.8327 6.1029 6.1029 7.0570 7.0570 7.5981 7.5981 7.7580 7.7580 8.1304 8.1304 k = 0.6380 0.0964-1.5496 ( 4015 PWs) bands (ev): -5.8744 -5.8744 -5.7341 -5.7341 -4.5712 -4.5712 -4.1790 -4.1790 -3.6958 -3.6958 -3.3582 -3.3582 -1.1387 -1.1387 0.9485 0.9485 1.8472 1.8472 2.5136 2.5136 2.7202 2.7202 2.8961 2.8961 3.0201 3.0201 3.8044 3.8044 4.0221 4.0221 4.4072 4.4072 5.2177 5.2177 5.8639 5.8639 6.1282 6.1282 7.0633 7.0633 7.5488 7.5488 7.7506 7.7506 8.1427 8.1427 k = 0.6343 0.0958-1.5065 ( 4015 PWs) bands (ev): -5.9394 -5.9394 -5.7923 -5.7923 -4.5944 -4.5944 -4.1649 -4.1649 -3.6574 -3.6574 -3.3012 -3.3012 -1.0949 -1.0949 0.9632 0.9632 1.8831 1.8831 2.5167 2.5167 2.7403 2.7403 2.9294 2.9294 3.0441 3.0441 3.8492 3.8492 4.0181 4.0181 4.4213 4.4213 5.2579 5.2579 5.8927 5.8927 6.1586 6.1586 7.0720 7.0720 7.5088 7.5088 7.7449 7.7449 8.1567 8.1567 k = 0.6305 0.0953-1.4634 ( 4013 PWs) bands (ev): -6.0056 -6.0056 -5.8529 -5.8529 -4.6232 -4.6232 -4.1591 -4.1591 -3.6071 -3.6071 -3.2420 -3.2420 -1.0482 -1.0482 0.9840 0.9840 1.9133 1.9133 2.5172 2.5172 2.7742 2.7742 2.9695 2.9695 3.0737 3.0737 3.8922 3.8922 4.0187 4.0187 4.4387 4.4387 5.2925 5.2925 5.9171 5.9171 6.1948 6.1948 7.0824 7.0824 7.4808 7.4808 7.7402 7.7402 8.1721 8.1721 k = 0.6268 0.0947-1.4203 ( 4024 PWs) bands (ev): -6.0723 -6.0723 -5.9149 -5.9149 -4.6570 -4.6570 -4.1604 -4.1604 -3.5474 -3.5474 -3.1809 -3.1809 -0.9992 -0.9992 1.0110 1.0110 1.9375 1.9375 2.5219 2.5219 2.8140 2.8140 3.0139 3.0139 3.1125 3.1125 3.9285 3.9285 4.0291 4.0291 4.4593 4.4593 5.3212 5.3212 5.9361 5.9361 6.2363 6.2363 7.0933 7.0933 7.4669 7.4669 7.7362 7.7362 8.1886 8.1886 k = 0.6231 0.0941-1.3772 ( 4020 PWs) bands (ev): -6.1392 -6.1392 -5.9778 -5.9778 -4.6950 -4.6950 -4.1674 -4.1674 -3.4810 -3.4810 -3.1185 -3.1185 -0.9484 -0.9484 1.0445 1.0445 1.9559 1.9559 2.5351 2.5351 2.8556 2.8556 3.0571 3.0571 3.1655 3.1655 3.9513 3.9513 4.0561 4.0561 4.4831 4.4831 5.3443 5.3443 5.9499 5.9499 6.2819 6.2819 7.1027 7.1027 7.4696 7.4696 7.7327 7.7327 8.2058 8.2058 k = 0.6194 0.0936-1.3342 ( 4014 PWs) bands (ev): -6.2057 -6.2057 -6.0410 -6.0410 -4.7365 -4.7365 -4.1789 -4.1789 -3.4100 -3.4100 -3.0554 -3.0554 -0.8962 -0.8962 1.0843 1.0843 1.9697 1.9697 2.5584 2.5584 2.8975 2.8975 3.0961 3.0961 3.2344 3.2344 3.9623 3.9623 4.0983 4.0983 4.5102 4.5102 5.3619 5.3619 5.9595 5.9595 6.3298 6.3298 7.1094 7.1094 7.4903 7.4903 7.7300 7.7300 8.2233 8.2233 k = 0.6156 0.0930-1.2911 ( 4014 PWs) bands (ev): -6.2717 -6.2717 -6.1041 -6.1041 -4.7806 -4.7806 -4.1939 -4.1939 -3.3364 -3.3364 -2.9921 -2.9921 -0.8430 -0.8430 1.1305 1.1305 1.9807 1.9807 2.5917 2.5917 2.9398 2.9398 3.1321 3.1321 3.3154 3.3154 3.9688 3.9688 4.1487 4.1487 4.5404 4.5404 5.3745 5.3745 5.9664 5.9664 6.3783 6.3783 7.1127 7.1127 7.5284 7.5284 7.7281 7.7281 8.2407 8.2407 k = 0.6119 0.0925-1.2480 ( 4014 PWs) bands (ev): -6.3368 -6.3368 -6.1667 -6.1667 -4.8266 -4.8266 -4.2118 -4.2118 -3.2615 -3.2615 -2.9292 -2.9292 -0.7892 -0.7892 1.1830 1.1830 1.9909 1.9909 2.6340 2.6340 2.9831 2.9831 3.1671 3.1671 3.4041 3.4041 3.9754 3.9754 4.2031 4.2031 4.5739 4.5739 5.3825 5.3825 5.9720 5.9720 6.4259 6.4259 7.1135 7.1135 7.5810 7.5810 7.7283 7.7283 8.2573 8.2573 k = 0.6082 0.0919-1.2049 ( 4002 PWs) bands (ev): -6.4009 -6.4009 -6.2286 -6.2286 -4.8738 -4.8738 -4.2321 -4.2321 -3.1864 -3.1864 -2.8673 -2.8673 -0.7350 -0.7350 1.2414 1.2414 2.0028 2.0028 2.6838 2.6838 3.0281 3.0281 3.2025 3.2025 3.4967 3.4967 3.9847 3.9847 4.2598 4.2598 4.6107 4.6107 5.3866 5.3866 5.9773 5.9773 6.4717 6.4717 7.1129 7.1129 7.6405 7.6405 7.7354 7.7354 8.2727 8.2727 k = 0.6044 0.0913-1.1619 ( 3998 PWs) bands (ev): -6.4637 -6.4637 -6.2894 -6.2894 -4.9219 -4.9219 -4.2543 -4.2543 -3.1120 -3.1120 -2.8068 -2.8068 -0.6805 -0.6805 1.3054 1.3054 2.0184 2.0184 2.7395 2.7395 3.0753 3.0753 3.2389 3.2389 3.5894 3.5894 3.9987 3.9987 4.3179 4.3179 4.6507 4.6507 5.3879 5.3879 5.9833 5.9833 6.5148 6.5148 7.1122 7.1122 7.6831 7.6831 7.7705 7.7705 8.2862 8.2862 k = 0.6007 0.0908-1.1188 ( 3992 PWs) bands (ev): -6.5251 -6.5251 -6.3491 -6.3491 -4.9702 -4.9702 -4.2780 -4.2780 -3.0391 -3.0391 -2.7481 -2.7481 -0.6258 -0.6258 1.3743 1.3743 2.0396 2.0396 2.7998 2.7998 3.1251 3.1251 3.2766 3.2766 3.6778 3.6778 4.0207 4.0207 4.3769 4.3769 4.6940 4.6940 5.3877 5.3877 5.9903 5.9903 6.5546 6.5546 7.1123 7.1123 7.6950 7.6950 7.8444 7.8444 8.2971 8.2971 k = 0.5970 0.0902-1.0757 ( 3994 PWs) bands (ev): -6.5849 -6.5849 -6.4074 -6.4074 -5.0185 -5.0185 -4.3030 -4.3030 -2.9683 -2.9683 -2.6917 -2.6917 -0.5709 -0.5709 1.4475 1.4475 2.0679 2.0679 2.8633 2.8633 3.1776 3.1776 3.3159 3.3159 3.7565 3.7565 4.0545 4.0545 4.4365 4.4365 4.7407 4.7407 5.3878 5.3878 5.9987 5.9987 6.5904 6.5904 7.1141 7.1141 7.6967 7.6967 7.9339 7.9339 8.3050 8.3050 k = 0.5932 0.0896-1.0326 ( 4004 PWs) bands (ev): -6.6430 -6.6430 -6.4642 -6.4642 -5.0663 -5.0663 -4.3289 -4.3289 -2.9001 -2.9001 -2.6379 -2.6379 -0.5157 -0.5157 1.5240 1.5240 2.1049 2.1049 2.9288 2.9288 3.2329 3.2329 3.3574 3.3574 3.8204 3.8204 4.1040 4.1040 4.4963 4.4963 4.7907 4.7907 5.3902 5.3902 6.0082 6.0082 6.6212 6.6212 7.1183 7.1183 7.6962 7.6962 8.0281 8.0281 8.3099 8.3099 k = 0.5895 0.0891-0.9896 ( 3999 PWs) bands (ev): -6.6994 -6.6994 -6.5194 -6.5194 -5.1135 -5.1135 -4.3555 -4.3555 -2.8351 -2.8351 -2.5868 -2.5868 -0.4603 -0.4603 1.6032 1.6032 2.1516 2.1516 2.9950 2.9950 3.2902 3.2902 3.4019 3.4019 3.8686 3.8686 4.1682 4.1682 4.5561 4.5561 4.8442 4.8442 5.3972 5.3972 6.0187 6.0187 6.6461 6.6461 7.1256 7.1256 7.6951 7.6951 8.1202 8.1202 8.3136 8.3136 k = 0.5858 0.0885-0.9465 ( 4000 PWs) bands (ev): -6.7539 -6.7539 -6.5728 -6.5728 -5.1599 -5.1599 -4.3824 -4.3824 -2.7736 -2.7736 -2.5386 -2.5386 -0.4046 -0.4046 1.6842 1.6842 2.2088 2.2088 3.0613 3.0613 3.3480 3.3480 3.4509 3.4509 3.9055 3.9055 4.2410 4.2410 4.6160 4.6160 4.9012 4.9012 5.4113 5.4113 6.0298 6.0298 6.6642 6.6642 7.1364 7.1364 7.6942 7.6942 8.1966 8.1966 8.3261 8.3261 k = 0.5821 0.0879-0.9034 ( 3999 PWs) bands (ev): -6.8065 -6.8065 -6.6244 -6.6244 -5.2051 -5.2051 -4.4096 -4.4096 -2.7159 -2.7159 -2.4935 -2.4935 -0.3486 -0.3486 1.7666 1.7666 2.2767 2.2767 3.1267 3.1267 3.4037 3.4037 3.5063 3.5063 3.9371 3.9371 4.3148 4.3148 4.6759 4.6759 4.9616 4.9616 5.4348 5.4348 6.0411 6.0411 6.6747 6.6747 7.1509 7.1509 7.6939 7.6939 8.2279 8.2279 8.3732 8.3732 k = 0.5783 0.0874-0.8603 ( 3995 PWs) bands (ev): -6.8571 -6.8571 -6.6741 -6.6741 -5.2491 -5.2491 -4.4367 -4.4367 -2.6624 -2.6624 -2.4515 -2.4515 -0.2923 -0.2923 1.8503 1.8503 2.3552 2.3552 3.1910 3.1910 3.4552 3.4552 3.5692 3.5692 3.9677 3.9677 4.3838 4.3838 4.7359 4.7359 5.0257 5.0257 5.4695 5.4695 6.0524 6.0524 6.6774 6.6774 7.1688 7.1688 7.6947 7.6947 8.2184 8.2184 8.4460 8.4460 k = 0.5746 0.0868-0.8173 ( 3996 PWs) bands (ev): -6.9057 -6.9057 -6.7218 -6.7218 -5.2917 -5.2917 -4.4635 -4.4635 -2.6132 -2.6132 -2.4125 -2.4125 -0.2359 -0.2359 1.9356 1.9356 2.4435 2.4435 3.2539 3.2539 3.5023 3.5023 3.6378 3.6378 4.0012 4.0012 4.4443 4.4443 4.7963 4.7963 5.0935 5.0935 5.5164 5.5164 6.0634 6.0634 6.6723 6.6723 7.1894 7.1894 7.6968 7.6968 8.1904 8.1904 8.5125 8.5125 k = 0.5709 0.0863-0.7742 ( 3996 PWs) bands (ev): -6.9521 -6.9521 -6.7675 -6.7675 -5.3327 -5.3327 -4.4900 -4.4900 -2.5684 -2.5684 -2.3766 -2.3766 -0.1793 -0.1793 2.0229 2.0229 2.5403 2.5403 3.3153 3.3153 3.5459 3.5459 3.7084 3.7084 4.0407 4.0407 4.4952 4.4952 4.8570 4.8570 5.1647 5.1647 5.5751 5.5751 6.0743 6.0743 6.6599 6.6599 7.2115 7.2115 7.7005 7.7005 8.1504 8.1504 8.4996 8.4996 k = 0.5671 0.0857-0.7311 ( 3991 PWs) bands (ev): -6.9963 -6.9963 -6.8111 -6.8111 -5.3722 -5.3722 -4.5159 -4.5159 -2.5279 -2.5279 -2.3436 -2.3436 -0.1229 -0.1229 2.1130 2.1130 2.6442 2.6442 3.3751 3.3751 3.5871 3.5871 3.7766 3.7766 4.0897 4.0897 4.5369 4.5369 4.9180 4.9180 5.2387 5.2387 5.6435 5.6435 6.0856 6.0856 6.6411 6.6411 7.2339 7.2339 7.7058 7.7058 8.0995 8.0995 8.3893 8.3893 k = 0.5634 0.0851-0.6880 ( 3989 PWs) bands (ev): -7.0384 -7.0384 -6.8526 -6.8526 -5.4099 -5.4099 -4.5411 -4.5411 -2.4917 -2.4917 -2.3135 -2.3135 -0.0668 -0.0668 2.2063 2.2063 2.7536 2.7536 3.4332 3.4332 3.6267 3.6267 3.8384 3.8384 4.1511 4.1511 4.5714 4.5714 4.9791 4.9791 5.3143 5.3143 5.7177 5.7177 6.0986 6.0986 6.6172 6.6172 7.2556 7.2556 7.7125 7.7125 8.0363 8.0363 8.2575 8.2575 k = 0.5597 0.0846-0.6449 ( 3982 PWs) bands (ev): -7.0782 -7.0782 -6.8919 -6.8919 -5.4458 -5.4458 -4.5655 -4.5655 -2.4596 -2.4596 -2.2862 -2.2862 -0.0112 -0.0112 2.3033 2.3033 2.8667 2.8667 3.4893 3.4893 3.6654 3.6654 3.8921 3.8921 4.2256 4.2256 4.6016 4.6016 5.0403 5.0403 5.3898 5.3898 5.7919 5.7919 6.1155 6.1155 6.5902 6.5902 7.2755 7.2755 7.7199 7.7199 7.9561 7.9561 8.1318 8.1318 k = 0.5559 0.0840-0.6019 ( 3988 PWs) bands (ev): -7.1158 -7.1158 -6.9289 -6.9289 -5.4798 -5.4798 -4.5888 -4.5888 -2.4313 -2.4313 -2.2615 -2.2615 0.0434 0.0434 2.4042 2.4042 2.9820 2.9820 3.5426 3.5426 3.7041 3.7041 3.9384 3.9384 4.3112 4.3112 4.6303 4.6303 5.1016 5.1016 5.4631 5.4631 5.8584 5.8584 6.1394 6.1394 6.5635 6.5635 7.2930 7.2930 7.7256 7.7256 7.8536 7.8536 8.0256 8.0256 k = 0.5522 0.0834-0.5588 ( 3978 PWs) bands (ev): -7.1510 -7.1510 -6.9637 -6.9637 -5.5118 -5.5118 -4.6112 -4.6112 -2.4066 -2.4066 -2.2395 -2.2395 0.0969 0.0969 2.5089 2.5089 3.0973 3.0973 3.5925 3.5925 3.7443 3.7443 3.9793 3.9793 4.4039 4.4039 4.6611 4.6611 5.1631 5.1631 5.5308 5.5308 5.9112 5.9112 6.1697 6.1697 6.5436 6.5436 7.3079 7.3079 7.7037 7.7037 7.7565 7.7565 7.9397 7.9397 k = 0.5485 0.0829-0.5157 ( 3983 PWs) bands (ev): -7.1839 -7.1839 -6.9963 -6.9963 -5.5419 -5.5419 -4.6323 -4.6323 -2.3851 -2.3851 -2.2199 -2.2199 0.1488 0.1488 2.6173 2.6173 3.2103 3.2103 3.6385 3.6385 3.7874 3.7874 4.0166 4.0166 4.4976 4.4976 4.6987 4.6987 5.2249 5.2249 5.5879 5.5879 5.9513 5.9513 6.1959 6.1959 6.5410 6.5410 7.3201 7.3201 7.5852 7.5852 7.7413 7.7413 7.8692 7.8692 k = 0.5448 0.0823-0.4726 ( 3979 PWs) bands (ev): -7.2145 -7.2145 -7.0265 -7.0265 -5.5699 -5.5699 -4.6522 -4.6522 -2.3665 -2.3665 -2.2027 -2.2027 0.1987 0.1987 2.7288 2.7288 3.3181 3.3181 3.6817 3.6817 3.8344 3.8344 4.0519 4.0519 4.5838 4.5838 4.7506 4.7506 5.2870 5.2870 5.6275 5.6275 5.9880 5.9880 6.2025 6.2025 6.5644 6.5644 7.3279 7.3279 7.4568 7.4568 7.7196 7.7196 7.8211 7.8211 k = 0.5410 0.0817-0.4296 ( 3979 PWs) bands (ev): -7.2427 -7.2427 -7.0543 -7.0543 -5.5958 -5.5958 -4.6708 -4.6708 -2.3505 -2.3505 -2.1877 -2.1877 0.2464 0.2464 2.8426 2.8426 3.4166 3.4166 3.7247 3.7247 3.8856 3.8856 4.0858 4.0858 4.6536 4.6536 4.8243 4.8243 5.3495 5.3495 5.6431 5.6431 6.0314 6.0314 6.1862 6.1862 6.6079 6.6079 7.2974 7.2974 7.3722 7.3722 7.6688 7.6688 7.8041 7.8041 k = 0.5373 0.0812-0.3865 ( 3975 PWs) bands (ev): -7.2684 -7.2684 -7.0799 -7.0799 -5.6196 -5.6196 -4.6880 -4.6880 -2.3368 -2.3368 -2.1747 -2.1747 0.2913 0.2913 2.9578 2.9578 3.5009 3.5009 3.7717 3.7717 3.9406 3.9406 4.1189 4.1189 4.7088 4.7088 4.9165 4.9165 5.4123 5.4123 5.6330 5.6330 6.0850 6.0850 6.1565 6.1565 6.6510 6.6510 7.1957 7.1957 7.3758 7.3758 7.6040 7.6040 7.8023 7.8023 k = 0.5336 0.0806-0.3434 ( 3969 PWs) bands (ev): -7.2918 -7.2918 -7.1030 -7.1030 -5.6412 -5.6412 -4.7037 -4.7037 -2.3252 -2.3252 -2.1637 -2.1637 0.3332 0.3332 3.0724 3.0724 3.5681 3.5681 3.8256 3.8256 3.9989 3.9989 4.1515 4.1515 4.7581 4.7581 5.0161 5.0161 5.4745 5.4745 5.6012 5.6012 6.1195 6.1195 6.1500 6.1500 6.6682 6.6682 7.1081 7.1081 7.3980 7.3980 7.5368 7.5368 7.8052 7.8052 k = 0.5298 0.0801-0.3003 ( 3970 PWs) bands (ev): -7.3128 -7.3128 -7.1237 -7.1237 -5.6606 -5.6606 -4.7179 -4.7179 -2.3154 -2.3154 -2.1544 -2.1544 0.3718 0.3718 3.1837 3.1837 3.6206 3.6206 3.8845 3.8845 4.0595 4.0595 4.1842 4.1842 4.8068 4.8068 5.1135 5.1135 5.5252 5.5252 5.5646 5.5646 6.0902 6.0902 6.2148 6.2148 6.6379 6.6379 7.0579 7.0579 7.4275 7.4275 7.4739 7.4739 7.8099 7.8099 k = 0.5261 0.0795-0.2573 ( 3967 PWs) bands (ev): -7.3313 -7.3313 -7.1421 -7.1421 -5.6777 -5.6777 -4.7306 -4.7306 -2.3072 -2.3072 -2.1466 -2.1466 0.4066 0.4066 3.2872 3.2872 3.6663 3.6663 3.9430 3.9430 4.1202 4.1202 4.2181 4.2181 4.8562 4.8562 5.1990 5.1990 5.4908 5.4908 5.6047 5.6047 6.0690 6.0690 6.2809 6.2809 6.5622 6.5622 7.0406 7.0406 7.4041 7.4041 7.4747 7.4747 7.8120 7.8120 k = 0.5224 0.0789-0.2142 ( 3968 PWs) bands (ev): -7.3474 -7.3474 -7.1580 -7.1580 -5.6927 -5.6927 -4.7416 -4.7416 -2.3004 -2.3004 -2.1402 -2.1402 0.4374 0.4374 3.3763 3.3763 3.7154 3.7154 3.9965 3.9965 4.1774 4.1774 4.2550 4.2550 4.9035 4.9035 5.2542 5.2542 5.4538 5.4538 5.6566 5.6566 6.0640 6.0640 6.3428 6.3428 6.4628 6.4628 7.0361 7.0361 7.3512 7.3512 7.5103 7.5103 7.7894 7.7894 k = 0.5186 0.0784-0.1711 ( 3970 PWs) bands (ev): -7.3610 -7.3610 -7.1715 -7.1715 -5.7053 -5.7053 -4.7510 -4.7510 -2.2949 -2.2949 -2.1351 -2.1351 0.4639 0.4639 3.4442 3.4442 3.7753 3.7753 4.0428 4.0428 4.2283 4.2283 4.2954 4.2954 4.9385 4.9385 5.2584 5.2584 5.4634 5.4634 5.6954 5.6954 6.0824 6.0824 6.3425 6.3425 6.4109 6.4109 7.0299 7.0299 7.3086 7.3086 7.5327 7.5327 7.7219 7.7219 k = 0.5149 0.0778-0.1280 ( 3966 PWs) bands (ev): -7.3721 -7.3721 -7.1825 -7.1825 -5.7157 -5.7157 -4.7587 -4.7587 -2.2905 -2.2905 -2.1311 -2.1311 0.4859 0.4859 3.4894 3.4894 3.8458 3.8458 4.0809 4.0809 4.2754 4.2754 4.3363 4.3363 4.9384 4.9384 5.2527 5.2527 5.5018 5.5018 5.7170 5.7170 6.1259 6.1259 6.2360 6.2360 6.4584 6.4584 7.0145 7.0145 7.2821 7.2821 7.5255 7.5255 7.6509 7.6509 k = 0.5112 0.0772-0.0849 ( 3956 PWs) bands (ev): -7.3808 -7.3808 -7.1911 -7.1911 -5.7238 -5.7238 -4.7648 -4.7648 -2.2872 -2.2872 -2.1281 -2.1281 0.5033 0.5033 3.5166 3.5166 3.9173 3.9173 4.1103 4.1103 4.3261 4.3261 4.3723 4.3723 4.8888 4.8888 5.2825 5.2825 5.5347 5.5347 5.7284 5.7284 6.1277 6.1277 6.1899 6.1899 6.5022 6.5022 6.9870 6.9870 7.2731 7.2731 7.4785 7.4785 7.6097 7.6097 k = 0.5075 0.0767-0.0419 ( 3958 PWs) bands (ev): -7.3870 -7.3870 -7.1973 -7.1973 -5.7296 -5.7296 -4.7691 -4.7691 -2.2850 -2.2850 -2.1261 -2.1261 0.5158 0.5158 3.5320 3.5320 3.9771 3.9771 4.1306 4.1306 4.3860 4.3860 4.3997 4.3997 4.8084 4.8084 5.3399 5.3399 5.5445 5.5445 5.7433 5.7433 6.0336 6.0336 6.2516 6.2516 6.5388 6.5388 6.9513 6.9513 7.2768 7.2768 7.4198 7.4198 7.5878 7.5878 k = 0.5037 0.0761 0.0012 ( 3952 PWs) bands (ev): -7.3908 -7.3908 -7.2009 -7.2009 -5.7330 -5.7330 -4.7717 -4.7717 -2.2836 -2.2836 -2.1248 -2.1248 0.5233 0.5233 3.5398 3.5398 4.0157 4.0157 4.1421 4.1421 4.4165 4.4165 4.4523 4.4523 4.7240 4.7240 5.4050 5.4050 5.5250 5.5250 5.7681 5.7681 5.9582 5.9582 6.2989 6.2989 6.5662 6.5662 6.9181 6.9181 7.2839 7.2839 7.3780 7.3780 7.5731 7.5731 k = 0.5000 0.0755 0.0443 ( 3964 PWs) bands (ev): -7.3920 -7.3920 -7.2022 -7.2022 -5.7342 -5.7342 -4.7725 -4.7725 -2.2832 -2.2832 -2.1244 -2.1244 0.5258 0.5258 3.5423 3.5423 4.0289 4.0289 4.1458 4.1458 4.4221 4.4221 4.4910 4.4910 4.6785 4.6785 5.4486 5.4486 5.4970 5.4970 5.7847 5.7847 5.9245 5.9245 6.3165 6.3165 6.5772 6.5772 6.9037 6.9037 7.2870 7.2870 7.3636 7.3636 7.5675 7.5675 k = 0.5000-1.6168-0.9477 ( 4024 PWs) bands (ev): -5.5355 -5.5355 -5.5019 -5.5019 -4.4581 -4.4581 -4.4450 -4.4450 -3.7569 -3.7569 -3.5649 -3.5649 -1.3264 -1.3264 0.8693 0.8693 1.8622 1.8622 2.5544 2.5544 2.5960 2.5960 2.7976 2.7976 2.9611 2.9611 3.0999 3.0999 4.2851 4.2851 4.8184 4.8184 5.0726 5.0726 5.5041 5.5041 5.8130 5.8130 7.1294 7.1294 7.6318 7.6318 8.0225 8.0225 8.4331 8.4331 k = 0.5410-1.6074-0.9422 ( 4026 PWs) bands (ev): -5.5356 -5.5356 -5.5018 -5.5018 -4.4657 -4.4657 -4.4372 -4.4372 -3.7562 -3.7562 -3.5659 -3.5659 -1.3262 -1.3262 0.8715 0.8715 1.8522 1.8522 2.5613 2.5613 2.5938 2.5938 2.8018 2.8018 2.9526 2.9526 3.1153 3.1153 4.2822 4.2822 4.8000 4.8000 5.0779 5.0779 5.5125 5.5125 5.8090 5.8090 7.1385 7.1385 7.6303 7.6303 8.0235 8.0235 8.3589 8.3589 k = 0.5821-1.5979-0.9366 ( 4022 PWs) bands (ev): -5.5362 -5.5362 -5.5015 -5.5015 -4.4771 -4.4771 -4.4254 -4.4254 -3.7540 -3.7540 -3.5687 -3.5687 -1.3256 -1.3256 0.8780 0.8780 1.8241 1.8241 2.5606 2.5606 2.6084 2.6084 2.8126 2.8126 2.9348 2.9348 3.1534 3.1534 4.2734 4.2734 4.7530 4.7530 5.0860 5.0860 5.5362 5.5362 5.7997 5.7997 7.1620 7.1620 7.6289 7.6289 8.0253 8.0253 8.2725 8.2725 k = 0.6231-1.5885-0.9311 ( 4019 PWs) bands (ev): -5.5369 -5.5369 -5.5010 -5.5010 -4.4885 -4.4885 -4.4133 -4.4133 -3.7505 -3.7505 -3.5731 -3.5731 -1.3247 -1.3247 0.8889 0.8889 1.7822 1.7822 2.5404 2.5404 2.6504 2.6504 2.8266 2.8266 2.9176 2.9176 3.2043 3.2043 4.2589 4.2589 4.6906 4.6906 5.0843 5.0843 5.5703 5.5703 5.7934 5.7934 7.1882 7.1882 7.6376 7.6376 8.0238 8.0238 8.1937 8.1937 k = 0.6641-1.5791-0.9255 ( 4007 PWs) bands (ev): -5.5379 -5.5379 -5.5004 -5.5004 -4.4993 -4.4993 -4.4016 -4.4016 -3.7460 -3.7460 -3.5788 -3.5788 -1.3236 -1.3236 0.9040 0.9040 1.7311 1.7311 2.5146 2.5146 2.7025 2.7025 2.8413 2.8413 2.9067 2.9067 3.2632 3.2632 4.2386 4.2386 4.6218 4.6218 5.0663 5.0663 5.6057 5.6057 5.8011 5.8011 7.2019 7.2019 7.6692 7.6692 8.0093 8.0093 8.1329 8.1329 k = 0.7051-1.5696-0.9200 ( 4008 PWs) bands (ev): -5.5391 -5.5391 -5.4998 -5.4998 -4.5093 -4.5093 -4.3905 -4.3905 -3.7409 -3.7409 -3.5855 -3.5855 -1.3222 -1.3222 0.9232 0.9232 1.6744 1.6744 2.4879 2.4879 2.7521 2.7521 2.8587 2.8587 2.9059 2.9059 3.3275 3.3275 4.2121 4.2121 4.5526 4.5526 5.0309 5.0309 5.6335 5.6335 5.8317 5.8317 7.1928 7.1928 7.7306 7.7306 7.9701 7.9701 8.1037 8.1037 k = 0.7462-1.5602-0.9145 ( 4006 PWs) bands (ev): -5.5403 -5.5403 -5.4994 -5.4994 -4.5181 -4.5181 -4.3802 -4.3802 -3.7357 -3.7357 -3.5923 -3.5923 -1.3208 -1.3208 0.9465 0.9465 1.6148 1.6148 2.4625 2.4625 2.7821 2.7821 2.8872 2.8872 2.9192 2.9192 3.3954 3.3954 4.1785 4.1785 4.4877 4.4877 4.9809 4.9809 5.6532 5.6532 5.8827 5.8827 7.1627 7.1627 7.8091 7.8091 7.9255 7.9255 8.0978 8.0978 k = 0.7872-1.5507-0.9089 ( 4003 PWs) bands (ev): -5.5416 -5.5416 -5.4991 -5.4991 -4.5257 -4.5257 -4.3708 -4.3708 -3.7312 -3.7312 -3.5985 -3.5985 -1.3193 -1.3193 0.9737 0.9737 1.5541 1.5541 2.4398 2.4398 2.7901 2.7901 2.9100 2.9100 2.9622 2.9622 3.4656 3.4656 4.1367 4.1367 4.4313 4.4313 4.9213 4.9213 5.6691 5.6691 5.9446 5.9446 7.1192 7.1192 7.8235 7.8235 7.9606 7.9606 8.1047 8.1047 k = 0.8282-1.5413-0.9034 ( 4002 PWs) bands (ev): -5.5428 -5.5428 -5.4990 -5.4990 -4.5320 -4.5320 -4.3626 -4.3626 -3.7285 -3.7285 -3.6029 -3.6029 -1.3180 -1.3180 1.0047 1.0047 1.4935 1.4935 2.4208 2.4208 2.7892 2.7892 2.9227 2.9227 3.0226 3.0226 3.5363 3.5363 4.0863 4.0863 4.3863 4.3863 4.8579 4.8579 5.6835 5.6835 6.0086 6.0086 7.0702 7.0702 7.7808 7.7808 8.0422 8.0422 8.1454 8.1454 Writing output data file GexTe2Asx2.save init_run : 0.42s CPU 0.60s WALL ( 1 calls) electrons : 498.77s CPU 502.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 498.76s CPU 502.28s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 278 calls) cegterg : 449.62s CPU 451.97s WALL ( 451 calls) Called by sum_band: Called by *egterg: h_psi : 427.88s CPU 429.86s WALL ( 7249 calls) s_psi : 5.37s CPU 5.41s WALL ( 7249 calls) g_psi : 0.23s CPU 0.20s WALL ( 6520 calls) cdiaghg : 41.12s CPU 41.89s WALL ( 6798 calls) cegterg:over : 5.16s CPU 4.98s WALL ( 6520 calls) cegterg:upda : 4.58s CPU 4.64s WALL ( 6520 calls) cegterg:last : 2.17s CPU 2.16s WALL ( 1233 calls) cdiaghg:chol : 2.31s CPU 2.48s WALL ( 6798 calls) cdiaghg:inve : 1.45s CPU 1.52s WALL ( 6798 calls) cdiaghg:para : 2.46s CPU 2.49s WALL ( 13596 calls) Called by h_psi: h_psi:vloc : 414.91s CPU 416.87s WALL ( 7249 calls) h_psi:vnl : 12.80s CPU 12.81s WALL ( 7249 calls) add_vuspsi : 6.52s CPU 6.56s WALL ( 7249 calls) General routines calbec : 6.26s CPU 6.22s WALL ( 7249 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 388.32s CPU 390.94s WALL ( 691776 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.94s WALL ( 556 calls) Parallel routines fft_scatter : 55.29s CPU 56.19s WALL ( 691799 calls) PWSCF : 8m31.42s CPU 8m55.95s WALL This run was terminated on: 20:50:47 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=