Program PWSCF v.5.1.1 starts on 3Nov2015 at 20:47:20 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Si4P4Ru.save/ file Ru.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 32 9 2514 1089 170 Max 58 33 10 2518 1117 175 Sum 2751 1577 463 120747 52785 8269 bravais-lattice index = 14 lattice parameter (alat) = 9.3283 a.u. unit-cell volume = 1012.5829 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 53.0000 Ry charge density cutoff = 368.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.328254 celldm(2)= 1.141361 celldm(3)= 1.248384 celldm(4)= 0.078285 celldm(5)= -0.370395 celldm(6)= -0.330679 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.377424 1.077152 0.000000 ) a(3) = ( -0.462396 -0.058464 1.158117 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.350391 0.416953 ) b(2) = ( 0.000000 0.928374 0.046866 ) b(3) = ( 0.000000 0.000000 0.863470 ) PseudoPot. # 1 for Ru read from file: /home/autes/Pseudo/Ru.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 0c52cdb75a9e7ce306835bb52173403e Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ru 16.00 101.07000 Ru( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4641872 -0.0234329), wk = 0.0036765 k( 2) = ( 0.0000000 -0.4487143 -0.0226518), wk = 0.0036765 k( 3) = ( 0.0000000 -0.4332414 -0.0218707), wk = 0.0036765 k( 4) = ( 0.0000000 -0.4177685 -0.0210896), wk = 0.0036765 k( 5) = ( 0.0000000 -0.4022956 -0.0203086), wk = 0.0036765 k( 6) = ( 0.0000000 -0.3868227 -0.0195275), wk = 0.0036765 k( 7) = ( 0.0000000 -0.3713497 -0.0187464), wk = 0.0036765 k( 8) = ( 0.0000000 -0.3558768 -0.0179653), wk = 0.0036765 k( 9) = ( 0.0000000 -0.3404039 -0.0171842), wk = 0.0036765 k( 10) = ( 0.0000000 -0.3249310 -0.0164031), wk = 0.0036765 k( 11) = ( 0.0000000 -0.3094581 -0.0156220), wk = 0.0036765 k( 12) = ( 0.0000000 -0.2939852 -0.0148409), wk = 0.0036765 k( 13) = ( 0.0000000 -0.2785123 -0.0140598), wk = 0.0036765 k( 14) = ( 0.0000000 -0.2630394 -0.0132787), wk = 0.0036765 k( 15) = ( 0.0000000 -0.2475665 -0.0124976), wk = 0.0036765 k( 16) = ( 0.0000000 -0.2320936 -0.0117165), wk = 0.0036765 k( 17) = ( 0.0000000 -0.2166207 -0.0109354), wk = 0.0036765 k( 18) = ( 0.0000000 -0.2011478 -0.0101543), wk = 0.0036765 k( 19) = ( 0.0000000 -0.1856749 -0.0093732), wk = 0.0036765 k( 20) = ( 0.0000000 -0.1702020 -0.0085921), wk = 0.0036765 k( 21) = ( 0.0000000 -0.1547291 -0.0078110), wk = 0.0036765 k( 22) = ( 0.0000000 -0.1392562 -0.0070299), wk = 0.0036765 k( 23) = ( 0.0000000 -0.1237832 -0.0062488), wk = 0.0036765 k( 24) = ( 0.0000000 -0.1083103 -0.0054677), wk = 0.0036765 k( 25) = ( 0.0000000 -0.0928374 -0.0046866), wk = 0.0036765 k( 26) = ( 0.0000000 -0.0773645 -0.0039055), wk = 0.0036765 k( 27) = ( 0.0000000 -0.0618916 -0.0031244), wk = 0.0036765 k( 28) = ( 0.0000000 -0.0464187 -0.0023433), wk = 0.0036765 k( 29) = ( 0.0000000 -0.0309458 -0.0015622), wk = 0.0036765 k( 30) = ( 0.0000000 -0.0154729 -0.0007811), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 33) = ( 0.0135135 0.0047350 0.0056345), wk = 0.0036765 k( 34) = ( 0.0270270 0.0094700 0.0112690), wk = 0.0036765 k( 35) = ( 0.0405405 0.0142050 0.0169035), wk = 0.0036765 k( 36) = ( 0.0540540 0.0189401 0.0225380), wk = 0.0036765 k( 37) = ( 0.0675676 0.0236751 0.0281725), wk = 0.0036765 k( 38) = ( 0.0810811 0.0284101 0.0338070), wk = 0.0036765 k( 39) = ( 0.0945946 0.0331451 0.0394415), wk = 0.0036765 k( 40) = ( 0.1081081 0.0378801 0.0450760), wk = 0.0036765 k( 41) = ( 0.1216216 0.0426151 0.0507105), wk = 0.0036765 k( 42) = ( 0.1351351 0.0473501 0.0563450), wk = 0.0036765 k( 43) = ( 0.1486486 0.0520851 0.0619796), wk = 0.0036765 k( 44) = ( 0.1621622 0.0568202 0.0676141), wk = 0.0036765 k( 45) = ( 0.1756757 0.0615552 0.0732486), wk = 0.0036765 k( 46) = ( 0.1891892 0.0662902 0.0788831), wk = 0.0036765 k( 47) = ( 0.2027027 0.0710252 0.0845176), wk = 0.0036765 k( 48) = ( 0.2162162 0.0757602 0.0901521), wk = 0.0036765 k( 49) = ( 0.2297297 0.0804952 0.0957866), wk = 0.0036765 k( 50) = ( 0.2432432 0.0852302 0.1014211), wk = 0.0036765 k( 51) = ( 0.2567568 0.0899652 0.1070556), wk = 0.0036765 k( 52) = ( 0.2702703 0.0947003 0.1126901), wk = 0.0036765 k( 53) = ( 0.2837838 0.0994353 0.1183246), wk = 0.0036765 k( 54) = ( 0.2972973 0.1041703 0.1239591), wk = 0.0036765 k( 55) = ( 0.3108108 0.1089053 0.1295936), wk = 0.0036765 k( 56) = ( 0.3243243 0.1136403 0.1352281), wk = 0.0036765 k( 57) = ( 0.3378378 0.1183753 0.1408626), wk = 0.0036765 k( 58) = ( 0.3513514 0.1231103 0.1464971), wk = 0.0036765 k( 59) = ( 0.3648649 0.1278454 0.1521316), wk = 0.0036765 k( 60) = ( 0.3783784 0.1325804 0.1577661), wk = 0.0036765 k( 61) = ( 0.3918919 0.1373154 0.1634006), wk = 0.0036765 k( 62) = ( 0.4054054 0.1420504 0.1690351), wk = 0.0036765 k( 63) = ( 0.4189189 0.1467854 0.1746696), wk = 0.0036765 k( 64) = ( 0.4324324 0.1515204 0.1803041), wk = 0.0036765 k( 65) = ( 0.4459459 0.1562554 0.1859387), wk = 0.0036765 k( 66) = ( 0.4594595 0.1609904 0.1915732), wk = 0.0036765 k( 67) = ( 0.4729730 0.1657255 0.1972077), wk = 0.0036765 k( 68) = ( 0.4864865 0.1704605 0.2028422), wk = 0.0036765 k( 69) = ( 0.5000000 0.1751955 0.2084767), wk = 0.0036765 k( 70) = ( 0.5000000 -0.2889917 0.1850437), wk = 0.0036765 k( 71) = ( 0.4871795 -0.2815817 0.1802990), wk = 0.0036765 k( 72) = ( 0.4743590 -0.2741716 0.1755543), wk = 0.0036765 k( 73) = ( 0.4615385 -0.2667616 0.1708096), wk = 0.0036765 k( 74) = ( 0.4487179 -0.2593515 0.1660649), wk = 0.0036765 k( 75) = ( 0.4358974 -0.2519415 0.1613202), wk = 0.0036765 k( 76) = ( 0.4230769 -0.2445314 0.1565755), wk = 0.0036765 k( 77) = ( 0.4102564 -0.2371214 0.1518308), wk = 0.0036765 k( 78) = ( 0.3974359 -0.2297113 0.1470860), wk = 0.0036765 k( 79) = ( 0.3846154 -0.2223013 0.1423413), wk = 0.0036765 k( 80) = ( 0.3717949 -0.2148913 0.1375966), wk = 0.0036765 k( 81) = ( 0.3589744 -0.2074812 0.1328519), wk = 0.0036765 k( 82) = ( 0.3461538 -0.2000712 0.1281072), wk = 0.0036765 k( 83) = ( 0.3333333 -0.1926611 0.1233625), wk = 0.0036765 k( 84) = ( 0.3205128 -0.1852511 0.1186178), wk = 0.0036765 k( 85) = ( 0.3076923 -0.1778410 0.1138731), wk = 0.0036765 k( 86) = ( 0.2948718 -0.1704310 0.1091284), wk = 0.0036765 k( 87) = ( 0.2820513 -0.1630210 0.1043836), wk = 0.0036765 k( 88) = ( 0.2692308 -0.1556109 0.0996389), wk = 0.0036765 k( 89) = ( 0.2564103 -0.1482009 0.0948942), wk = 0.0036765 k( 90) = ( 0.2435897 -0.1407908 0.0901495), wk = 0.0036765 k( 91) = ( 0.2307692 -0.1333808 0.0854048), wk = 0.0036765 k( 92) = ( 0.2179487 -0.1259707 0.0806601), wk = 0.0036765 k( 93) = ( 0.2051282 -0.1185607 0.0759154), wk = 0.0036765 k( 94) = ( 0.1923077 -0.1111507 0.0711707), wk = 0.0036765 k( 95) = ( 0.1794872 -0.1037406 0.0664260), wk = 0.0036765 k( 96) = ( 0.1666667 -0.0963306 0.0616812), wk = 0.0036765 k( 97) = ( 0.1538461 -0.0889205 0.0569365), wk = 0.0036765 k( 98) = ( 0.1410256 -0.0815105 0.0521918), wk = 0.0036765 k( 99) = ( 0.1282051 -0.0741004 0.0474471), wk = 0.0036765 k( 100) = ( 0.1153846 -0.0666904 0.0427024), wk = 0.0036765 k( 101) = ( 0.1025641 -0.0592803 0.0379577), wk = 0.0036765 k( 102) = ( 0.0897436 -0.0518703 0.0332130), wk = 0.0036765 k( 103) = ( 0.0769231 -0.0444603 0.0284683), wk = 0.0036765 k( 104) = ( 0.0641026 -0.0370502 0.0237236), wk = 0.0036765 k( 105) = ( 0.0512821 -0.0296402 0.0189788), wk = 0.0036765 k( 106) = ( 0.0384615 -0.0222301 0.0142341), wk = 0.0036765 k( 107) = ( 0.0256410 -0.0148201 0.0094894), wk = 0.0036765 k( 108) = ( 0.0128205 -0.0074100 0.0047447), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( -0.0135135 -0.0047350 0.0060340), wk = 0.0036765 k( 112) = ( -0.0270270 -0.0094700 0.0120680), wk = 0.0036765 k( 113) = ( -0.0405405 -0.0142050 0.0181020), wk = 0.0036765 k( 114) = ( -0.0540540 -0.0189401 0.0241361), wk = 0.0036765 k( 115) = ( -0.0675676 -0.0236751 0.0301701), wk = 0.0036765 k( 116) = ( -0.0810811 -0.0284101 0.0362041), wk = 0.0036765 k( 117) = ( -0.0945946 -0.0331451 0.0422381), wk = 0.0036765 k( 118) = ( -0.1081081 -0.0378801 0.0482721), wk = 0.0036765 k( 119) = ( -0.1216216 -0.0426151 0.0543061), wk = 0.0036765 k( 120) = ( -0.1351351 -0.0473501 0.0603401), wk = 0.0036765 k( 121) = ( -0.1486486 -0.0520851 0.0663742), wk = 0.0036765 k( 122) = ( -0.1621622 -0.0568202 0.0724082), wk = 0.0036765 k( 123) = ( -0.1756757 -0.0615552 0.0784422), wk = 0.0036765 k( 124) = ( -0.1891892 -0.0662902 0.0844762), wk = 0.0036765 k( 125) = ( -0.2027027 -0.0710252 0.0905102), wk = 0.0036765 k( 126) = ( -0.2162162 -0.0757602 0.0965442), wk = 0.0036765 k( 127) = ( -0.2297297 -0.0804952 0.1025782), wk = 0.0036765 k( 128) = ( -0.2432432 -0.0852302 0.1086122), wk = 0.0036765 k( 129) = ( -0.2567568 -0.0899652 0.1146463), wk = 0.0036765 k( 130) = ( -0.2702703 -0.0947003 0.1206803), wk = 0.0036765 k( 131) = ( -0.2837838 -0.0994353 0.1267143), wk = 0.0036765 k( 132) = ( -0.2972973 -0.1041703 0.1327483), wk = 0.0036765 k( 133) = ( -0.3108108 -0.1089053 0.1387823), wk = 0.0036765 k( 134) = ( -0.3243243 -0.1136403 0.1448163), wk = 0.0036765 k( 135) = ( -0.3378378 -0.1183753 0.1508503), wk = 0.0036765 k( 136) = ( -0.3513514 -0.1231103 0.1568844), wk = 0.0036765 k( 137) = ( -0.3648649 -0.1278454 0.1629184), wk = 0.0036765 k( 138) = ( -0.3783784 -0.1325804 0.1689524), wk = 0.0036765 k( 139) = ( -0.3918919 -0.1373154 0.1749864), wk = 0.0036765 k( 140) = ( -0.4054054 -0.1420504 0.1810204), wk = 0.0036765 k( 141) = ( -0.4189189 -0.1467854 0.1870544), wk = 0.0036765 k( 142) = ( -0.4324324 -0.1515204 0.1930884), wk = 0.0036765 k( 143) = ( -0.4459459 -0.1562554 0.1991225), wk = 0.0036765 k( 144) = ( -0.4594595 -0.1609904 0.2051565), wk = 0.0036765 k( 145) = ( -0.4729730 -0.1657255 0.2111905), wk = 0.0036765 k( 146) = ( -0.4864865 -0.1704605 0.2172245), wk = 0.0036765 k( 147) = ( -0.5000000 -0.1751955 0.2232585), wk = 0.0036765 k( 148) = ( -0.5000000 -0.6393827 0.1998256), wk = 0.0036765 k( 149) = ( -0.4907407 -0.6275422 0.1961251), wk = 0.0036765 k( 150) = ( -0.4814815 -0.6157018 0.1924246), wk = 0.0036765 k( 151) = ( -0.4722222 -0.6038614 0.1887241), wk = 0.0036765 k( 152) = ( -0.4629630 -0.5920210 0.1850237), wk = 0.0036765 k( 153) = ( -0.4537037 -0.5801806 0.1813232), wk = 0.0036765 k( 154) = ( -0.4444444 -0.5683401 0.1776227), wk = 0.0036765 k( 155) = ( -0.4351852 -0.5564997 0.1739222), wk = 0.0036765 k( 156) = ( -0.4259259 -0.5446593 0.1702218), wk = 0.0036765 k( 157) = ( -0.4166667 -0.5328189 0.1665213), wk = 0.0036765 k( 158) = ( -0.4074074 -0.5209785 0.1628208), wk = 0.0036765 k( 159) = ( -0.3981481 -0.5091380 0.1591204), wk = 0.0036765 k( 160) = ( -0.3888889 -0.4972976 0.1554199), wk = 0.0036765 k( 161) = ( -0.3796296 -0.4854572 0.1517194), wk = 0.0036765 k( 162) = ( -0.3703704 -0.4736168 0.1480189), wk = 0.0036765 k( 163) = ( -0.3611111 -0.4617764 0.1443185), wk = 0.0036765 k( 164) = ( -0.3518519 -0.4499359 0.1406180), wk = 0.0036765 k( 165) = ( -0.3425926 -0.4380955 0.1369175), wk = 0.0036765 k( 166) = ( -0.3333333 -0.4262551 0.1332170), wk = 0.0036765 k( 167) = ( -0.3240741 -0.4144147 0.1295166), wk = 0.0036765 k( 168) = ( -0.3148148 -0.4025743 0.1258161), wk = 0.0036765 k( 169) = ( -0.3055556 -0.3907339 0.1221156), wk = 0.0036765 k( 170) = ( -0.2962963 -0.3788934 0.1184151), wk = 0.0036765 k( 171) = ( -0.2870370 -0.3670530 0.1147147), wk = 0.0036765 k( 172) = ( -0.2777778 -0.3552126 0.1110142), wk = 0.0036765 k( 173) = ( -0.2685185 -0.3433722 0.1073137), wk = 0.0036765 k( 174) = ( -0.2592593 -0.3315318 0.1036133), wk = 0.0036765 k( 175) = ( -0.2500000 -0.3196913 0.0999128), wk = 0.0036765 k( 176) = ( -0.2407407 -0.3078509 0.0962123), wk = 0.0036765 k( 177) = ( -0.2314815 -0.2960105 0.0925118), wk = 0.0036765 k( 178) = ( -0.2222222 -0.2841701 0.0888114), wk = 0.0036765 k( 179) = ( -0.2129630 -0.2723296 0.0851109), wk = 0.0036765 k( 180) = ( -0.2037037 -0.2604892 0.0814104), wk = 0.0036765 k( 181) = ( -0.1944444 -0.2486488 0.0777099), wk = 0.0036765 k( 182) = ( -0.1851852 -0.2368084 0.0740095), wk = 0.0036765 k( 183) = ( -0.1759259 -0.2249680 0.0703090), wk = 0.0036765 k( 184) = ( -0.1666667 -0.2131276 0.0666085), wk = 0.0036765 k( 185) = ( -0.1574074 -0.2012871 0.0629080), wk = 0.0036765 k( 186) = ( -0.1481482 -0.1894467 0.0592076), wk = 0.0036765 k( 187) = ( -0.1388889 -0.1776063 0.0555071), wk = 0.0036765 k( 188) = ( -0.1296296 -0.1657659 0.0518066), wk = 0.0036765 k( 189) = ( -0.1203704 -0.1539255 0.0481062), wk = 0.0036765 k( 190) = ( -0.1111111 -0.1420850 0.0444057), wk = 0.0036765 k( 191) = ( -0.1018518 -0.1302446 0.0407052), wk = 0.0036765 k( 192) = ( -0.0925926 -0.1184042 0.0370047), wk = 0.0036765 k( 193) = ( -0.0833333 -0.1065638 0.0333043), wk = 0.0036765 k( 194) = ( -0.0740741 -0.0947234 0.0296038), wk = 0.0036765 k( 195) = ( -0.0648148 -0.0828829 0.0259033), wk = 0.0036765 k( 196) = ( -0.0555556 -0.0710425 0.0222028), wk = 0.0036765 k( 197) = ( -0.0462963 -0.0592021 0.0185024), wk = 0.0036765 k( 198) = ( -0.0370370 -0.0473617 0.0148019), wk = 0.0036765 k( 199) = ( -0.0277778 -0.0355213 0.0111014), wk = 0.0036765 k( 200) = ( -0.0185185 -0.0236808 0.0074009), wk = 0.0036765 k( 201) = ( -0.0092593 -0.0118404 0.0037005), wk = 0.0036765 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 204) = ( 0.0000000 0.0000000 0.0154191), wk = 0.0036765 k( 205) = ( 0.0000000 0.0000000 0.0308382), wk = 0.0036765 k( 206) = ( 0.0000000 0.0000000 0.0462573), wk = 0.0036765 k( 207) = ( 0.0000000 0.0000000 0.0616765), wk = 0.0036765 k( 208) = ( 0.0000000 0.0000000 0.0770956), wk = 0.0036765 k( 209) = ( 0.0000000 0.0000000 0.0925147), wk = 0.0036765 k( 210) = ( 0.0000000 0.0000000 0.1079338), wk = 0.0036765 k( 211) = ( 0.0000000 0.0000000 0.1233529), wk = 0.0036765 k( 212) = ( 0.0000000 0.0000000 0.1387720), wk = 0.0036765 k( 213) = ( 0.0000000 0.0000000 0.1541911), wk = 0.0036765 k( 214) = ( 0.0000000 0.0000000 0.1696102), wk = 0.0036765 k( 215) = ( 0.0000000 0.0000000 0.1850294), wk = 0.0036765 k( 216) = ( 0.0000000 0.0000000 0.2004485), wk = 0.0036765 k( 217) = ( 0.0000000 0.0000000 0.2158676), wk = 0.0036765 k( 218) = ( 0.0000000 0.0000000 0.2312867), wk = 0.0036765 k( 219) = ( 0.0000000 0.0000000 0.2467058), wk = 0.0036765 k( 220) = ( 0.0000000 0.0000000 0.2621249), wk = 0.0036765 k( 221) = ( 0.0000000 0.0000000 0.2775440), wk = 0.0036765 k( 222) = ( 0.0000000 0.0000000 0.2929632), wk = 0.0036765 k( 223) = ( 0.0000000 0.0000000 0.3083823), wk = 0.0036765 k( 224) = ( 0.0000000 0.0000000 0.3238014), wk = 0.0036765 k( 225) = ( 0.0000000 0.0000000 0.3392205), wk = 0.0036765 k( 226) = ( 0.0000000 0.0000000 0.3546396), wk = 0.0036765 k( 227) = ( 0.0000000 0.0000000 0.3700587), wk = 0.0036765 k( 228) = ( 0.0000000 0.0000000 0.3854778), wk = 0.0036765 k( 229) = ( 0.0000000 0.0000000 0.4008969), wk = 0.0036765 k( 230) = ( 0.0000000 0.0000000 0.4163161), wk = 0.0036765 k( 231) = ( 0.0000000 0.0000000 0.4317352), wk = 0.0036765 k( 232) = ( 0.0000000 -0.4641872 0.4083022), wk = 0.0036765 k( 233) = ( 0.0000000 -0.4525825 0.3980947), wk = 0.0036765 k( 234) = ( 0.0000000 -0.4409778 0.3878871), wk = 0.0036765 k( 235) = ( 0.0000000 -0.4293731 0.3776796), wk = 0.0036765 k( 236) = ( 0.0000000 -0.4177685 0.3674720), wk = 0.0036765 k( 237) = ( 0.0000000 -0.4061638 0.3572645), wk = 0.0036765 k( 238) = ( 0.0000000 -0.3945591 0.3470569), wk = 0.0036765 k( 239) = ( 0.0000000 -0.3829544 0.3368493), wk = 0.0036765 k( 240) = ( 0.0000000 -0.3713497 0.3266418), wk = 0.0036765 k( 241) = ( 0.0000000 -0.3597451 0.3164342), wk = 0.0036765 k( 242) = ( 0.0000000 -0.3481404 0.3062267), wk = 0.0036765 k( 243) = ( 0.0000000 -0.3365357 0.2960191), wk = 0.0036765 k( 244) = ( 0.0000000 -0.3249310 0.2858116), wk = 0.0036765 k( 245) = ( 0.0000000 -0.3133263 0.2756040), wk = 0.0036765 k( 246) = ( 0.0000000 -0.3017217 0.2653965), wk = 0.0036765 k( 247) = ( 0.0000000 -0.2901170 0.2551889), wk = 0.0036765 k( 248) = ( 0.0000000 -0.2785123 0.2449813), wk = 0.0036765 k( 249) = ( 0.0000000 -0.2669076 0.2347738), wk = 0.0036765 k( 250) = ( 0.0000000 -0.2553029 0.2245662), wk = 0.0036765 k( 251) = ( 0.0000000 -0.2436983 0.2143587), wk = 0.0036765 k( 252) = ( 0.0000000 -0.2320936 0.2041511), wk = 0.0036765 k( 253) = ( 0.0000000 -0.2204889 0.1939436), wk = 0.0036765 k( 254) = ( 0.0000000 -0.2088842 0.1837360), wk = 0.0036765 k( 255) = ( 0.0000000 -0.1972796 0.1735284), wk = 0.0036765 k( 256) = ( 0.0000000 -0.1856749 0.1633209), wk = 0.0036765 k( 257) = ( 0.0000000 -0.1740702 0.1531133), wk = 0.0036765 k( 258) = ( 0.0000000 -0.1624655 0.1429058), wk = 0.0036765 k( 259) = ( 0.0000000 -0.1508608 0.1326982), wk = 0.0036765 k( 260) = ( 0.0000000 -0.1392562 0.1224907), wk = 0.0036765 k( 261) = ( 0.0000000 -0.1276515 0.1122831), wk = 0.0036765 k( 262) = ( 0.0000000 -0.1160468 0.1020756), wk = 0.0036765 k( 263) = ( 0.0000000 -0.1044421 0.0918680), wk = 0.0036765 k( 264) = ( 0.0000000 -0.0928374 0.0816604), wk = 0.0036765 k( 265) = ( 0.0000000 -0.0812328 0.0714529), wk = 0.0036765 k( 266) = ( 0.0000000 -0.0696281 0.0612453), wk = 0.0036765 k( 267) = ( 0.0000000 -0.0580234 0.0510378), wk = 0.0036765 k( 268) = ( 0.0000000 -0.0464187 0.0408302), wk = 0.0036765 k( 269) = ( 0.0000000 -0.0348140 0.0306227), wk = 0.0036765 k( 270) = ( 0.0000000 -0.0232094 0.0204151), wk = 0.0036765 k( 271) = ( 0.0000000 -0.0116047 0.0102076), wk = 0.0036765 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 -0.4833333 0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 -0.4666667 0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 -0.4500000 0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 -0.4333333 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 -0.4166667 0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 -0.4000000 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 -0.3833333 0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 -0.3666667 0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 -0.3500000 0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 -0.3333333 0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 -0.3166667 0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 -0.3000000 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 -0.2833333 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 -0.2666667 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 -0.2500000 0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 -0.2333333 0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 -0.2166667 0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 -0.2000000 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 -0.1833333 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 -0.1666667 0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 -0.1500000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 -0.1333333 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 -0.1166667 0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 -0.1000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 -0.0833333 0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 -0.0666667 0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 -0.0500000 -0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 -0.0333333 0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 -0.0166667 0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 33) = ( 0.0135135 -0.0000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0036765 k( 35) = ( 0.0405405 -0.0000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0540540 0.0000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0675676 0.0000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.0810811 -0.0000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.0945946 0.0000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.1081081 -0.0000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.1351351 0.0000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.1486486 0.0000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.1621622 -0.0000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.1756757 0.0000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.1891892 -0.0000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.2027027 0.0000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.2162162 -0.0000000 -0.0000000), wk = 0.0036765 k( 49) = ( 0.2297297 0.0000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.2567568 0.0000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.2702703 0.0000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.2837838 0.0000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.2972973 0.0000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3108108 0.0000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.3243243 -0.0000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.3378378 0.0000000 -0.0000000), wk = 0.0036765 k( 58) = ( 0.3513514 0.0000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0036765 k( 60) = ( 0.3783784 -0.0000000 -0.0000000), wk = 0.0036765 k( 61) = ( 0.3918919 0.0000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.4054054 -0.0000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0036765 k( 64) = ( 0.4324324 0.0000000 -0.0000000), wk = 0.0036765 k( 65) = ( 0.4459459 -0.0000000 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4594595 0.0000000 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4729730 0.0000000 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4864865 0.0000000 -0.0000000), wk = 0.0036765 k( 69) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036765 k( 70) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4871795 -0.4871795 -0.0000000), wk = 0.0036765 k( 72) = ( 0.4743590 -0.4743590 -0.0000000), wk = 0.0036765 k( 73) = ( 0.4615385 -0.4615385 -0.0000000), wk = 0.0036765 k( 74) = ( 0.4487179 -0.4487179 -0.0000000), wk = 0.0036765 k( 75) = ( 0.4358974 -0.4358974 -0.0000000), wk = 0.0036765 k( 76) = ( 0.4230769 -0.4230769 0.0000000), wk = 0.0036765 k( 77) = ( 0.4102564 -0.4102564 -0.0000000), wk = 0.0036765 k( 78) = ( 0.3974359 -0.3974359 -0.0000000), wk = 0.0036765 k( 79) = ( 0.3846154 -0.3846154 -0.0000000), wk = 0.0036765 k( 80) = ( 0.3717949 -0.3717949 -0.0000000), wk = 0.0036765 k( 81) = ( 0.3589744 -0.3589744 -0.0000000), wk = 0.0036765 k( 82) = ( 0.3461538 -0.3461538 0.0000000), wk = 0.0036765 k( 83) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0036765 k( 84) = ( 0.3205128 -0.3205128 -0.0000000), wk = 0.0036765 k( 85) = ( 0.3076923 -0.3076923 -0.0000000), wk = 0.0036765 k( 86) = ( 0.2948718 -0.2948718 -0.0000000), wk = 0.0036765 k( 87) = ( 0.2820513 -0.2820513 -0.0000000), wk = 0.0036765 k( 88) = ( 0.2692308 -0.2692308 -0.0000000), wk = 0.0036765 k( 89) = ( 0.2564103 -0.2564103 -0.0000000), wk = 0.0036765 k( 90) = ( 0.2435897 -0.2435897 -0.0000000), wk = 0.0036765 k( 91) = ( 0.2307692 -0.2307692 -0.0000000), wk = 0.0036765 k( 92) = ( 0.2179487 -0.2179487 -0.0000000), wk = 0.0036765 k( 93) = ( 0.2051282 -0.2051282 -0.0000000), wk = 0.0036765 k( 94) = ( 0.1923077 -0.1923077 -0.0000000), wk = 0.0036765 k( 95) = ( 0.1794872 -0.1794872 -0.0000000), wk = 0.0036765 k( 96) = ( 0.1666667 -0.1666667 -0.0000000), wk = 0.0036765 k( 97) = ( 0.1538461 -0.1538461 0.0000000), wk = 0.0036765 k( 98) = ( 0.1410256 -0.1410256 -0.0000000), wk = 0.0036765 k( 99) = ( 0.1282051 -0.1282051 -0.0000000), wk = 0.0036765 k( 100) = ( 0.1153846 -0.1153846 -0.0000000), wk = 0.0036765 k( 101) = ( 0.1025641 -0.1025641 0.0000000), wk = 0.0036765 k( 102) = ( 0.0897436 -0.0897436 -0.0000000), wk = 0.0036765 k( 103) = ( 0.0769231 -0.0769231 -0.0000000), wk = 0.0036765 k( 104) = ( 0.0641026 -0.0641026 -0.0000000), wk = 0.0036765 k( 105) = ( 0.0512821 -0.0512820 0.0000000), wk = 0.0036765 k( 106) = ( 0.0384615 -0.0384615 -0.0000000), wk = 0.0036765 k( 107) = ( 0.0256410 -0.0256410 -0.0000000), wk = 0.0036765 k( 108) = ( 0.0128205 -0.0128205 -0.0000000), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( -0.0135135 0.0000000 0.0135135), wk = 0.0036765 k( 112) = ( -0.0270270 0.0000000 0.0270270), wk = 0.0036765 k( 113) = ( -0.0405405 0.0000000 0.0405405), wk = 0.0036765 k( 114) = ( -0.0540540 0.0000000 0.0540540), wk = 0.0036765 k( 115) = ( -0.0675676 0.0000000 0.0675676), wk = 0.0036765 k( 116) = ( -0.0810811 0.0000000 0.0810811), wk = 0.0036765 k( 117) = ( -0.0945946 0.0000000 0.0945946), wk = 0.0036765 k( 118) = ( -0.1081081 0.0000000 0.1081081), wk = 0.0036765 k( 119) = ( -0.1216216 0.0000000 0.1216216), wk = 0.0036765 k( 120) = ( -0.1351351 0.0000000 0.1351351), wk = 0.0036765 k( 121) = ( -0.1486486 0.0000000 0.1486486), wk = 0.0036765 k( 122) = ( -0.1621622 0.0000000 0.1621622), wk = 0.0036765 k( 123) = ( -0.1756757 0.0000000 0.1756757), wk = 0.0036765 k( 124) = ( -0.1891892 0.0000000 0.1891892), wk = 0.0036765 k( 125) = ( -0.2027027 0.0000000 0.2027027), wk = 0.0036765 k( 126) = ( -0.2162162 0.0000000 0.2162162), wk = 0.0036765 k( 127) = ( -0.2297297 -0.0000000 0.2297297), wk = 0.0036765 k( 128) = ( -0.2432432 0.0000000 0.2432432), wk = 0.0036765 k( 129) = ( -0.2567568 0.0000000 0.2567568), wk = 0.0036765 k( 130) = ( -0.2702703 0.0000000 0.2702703), wk = 0.0036765 k( 131) = ( -0.2837838 0.0000000 0.2837838), wk = 0.0036765 k( 132) = ( -0.2972973 0.0000000 0.2972973), wk = 0.0036765 k( 133) = ( -0.3108108 0.0000000 0.3108108), wk = 0.0036765 k( 134) = ( -0.3243243 0.0000000 0.3243243), wk = 0.0036765 k( 135) = ( -0.3378378 0.0000000 0.3378378), wk = 0.0036765 k( 136) = ( -0.3513514 0.0000000 0.3513514), wk = 0.0036765 k( 137) = ( -0.3648649 0.0000000 0.3648649), wk = 0.0036765 k( 138) = ( -0.3783784 0.0000000 0.3783784), wk = 0.0036765 k( 139) = ( -0.3918919 0.0000000 0.3918919), wk = 0.0036765 k( 140) = ( -0.4054054 0.0000000 0.4054054), wk = 0.0036765 k( 141) = ( -0.4189189 0.0000000 0.4189189), wk = 0.0036765 k( 142) = ( -0.4324324 -0.0000000 0.4324324), wk = 0.0036765 k( 143) = ( -0.4459459 0.0000000 0.4459459), wk = 0.0036765 k( 144) = ( -0.4594595 -0.0000000 0.4594595), wk = 0.0036765 k( 145) = ( -0.4729730 0.0000000 0.4729730), wk = 0.0036765 k( 146) = ( -0.4864865 0.0000000 0.4864865), wk = 0.0036765 k( 147) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 148) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0036765 k( 149) = ( -0.4907407 -0.4907407 0.4907407), wk = 0.0036765 k( 150) = ( -0.4814815 -0.4814815 0.4814815), wk = 0.0036765 k( 151) = ( -0.4722222 -0.4722222 0.4722222), wk = 0.0036765 k( 152) = ( -0.4629630 -0.4629630 0.4629630), wk = 0.0036765 k( 153) = ( -0.4537037 -0.4537037 0.4537037), wk = 0.0036765 k( 154) = ( -0.4444444 -0.4444444 0.4444444), wk = 0.0036765 k( 155) = ( -0.4351852 -0.4351852 0.4351852), wk = 0.0036765 k( 156) = ( -0.4259259 -0.4259259 0.4259259), wk = 0.0036765 k( 157) = ( -0.4166667 -0.4166667 0.4166667), wk = 0.0036765 k( 158) = ( -0.4074074 -0.4074074 0.4074074), wk = 0.0036765 k( 159) = ( -0.3981481 -0.3981481 0.3981481), wk = 0.0036765 k( 160) = ( -0.3888889 -0.3888889 0.3888889), wk = 0.0036765 k( 161) = ( -0.3796296 -0.3796296 0.3796296), wk = 0.0036765 k( 162) = ( -0.3703704 -0.3703704 0.3703704), wk = 0.0036765 k( 163) = ( -0.3611111 -0.3611111 0.3611111), wk = 0.0036765 k( 164) = ( -0.3518519 -0.3518518 0.3518518), wk = 0.0036765 k( 165) = ( -0.3425926 -0.3425926 0.3425926), wk = 0.0036765 k( 166) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0036765 k( 167) = ( -0.3240741 -0.3240741 0.3240741), wk = 0.0036765 k( 168) = ( -0.3148148 -0.3148148 0.3148148), wk = 0.0036765 k( 169) = ( -0.3055556 -0.3055556 0.3055556), wk = 0.0036765 k( 170) = ( -0.2962963 -0.2962963 0.2962963), wk = 0.0036765 k( 171) = ( -0.2870370 -0.2870370 0.2870370), wk = 0.0036765 k( 172) = ( -0.2777778 -0.2777778 0.2777778), wk = 0.0036765 k( 173) = ( -0.2685185 -0.2685185 0.2685185), wk = 0.0036765 k( 174) = ( -0.2592593 -0.2592593 0.2592593), wk = 0.0036765 k( 175) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0036765 k( 176) = ( -0.2407407 -0.2407407 0.2407407), wk = 0.0036765 k( 177) = ( -0.2314815 -0.2314815 0.2314815), wk = 0.0036765 k( 178) = ( -0.2222222 -0.2222222 0.2222222), wk = 0.0036765 k( 179) = ( -0.2129630 -0.2129630 0.2129630), wk = 0.0036765 k( 180) = ( -0.2037037 -0.2037037 0.2037037), wk = 0.0036765 k( 181) = ( -0.1944444 -0.1944444 0.1944444), wk = 0.0036765 k( 182) = ( -0.1851852 -0.1851852 0.1851852), wk = 0.0036765 k( 183) = ( -0.1759259 -0.1759259 0.1759259), wk = 0.0036765 k( 184) = ( -0.1666667 -0.1666667 0.1666667), wk = 0.0036765 k( 185) = ( -0.1574074 -0.1574074 0.1574074), wk = 0.0036765 k( 186) = ( -0.1481482 -0.1481481 0.1481482), wk = 0.0036765 k( 187) = ( -0.1388889 -0.1388889 0.1388889), wk = 0.0036765 k( 188) = ( -0.1296296 -0.1296296 0.1296296), wk = 0.0036765 k( 189) = ( -0.1203704 -0.1203704 0.1203704), wk = 0.0036765 k( 190) = ( -0.1111111 -0.1111111 0.1111111), wk = 0.0036765 k( 191) = ( -0.1018518 -0.1018518 0.1018518), wk = 0.0036765 k( 192) = ( -0.0925926 -0.0925926 0.0925926), wk = 0.0036765 k( 193) = ( -0.0833333 -0.0833333 0.0833333), wk = 0.0036765 k( 194) = ( -0.0740741 -0.0740741 0.0740741), wk = 0.0036765 k( 195) = ( -0.0648148 -0.0648148 0.0648148), wk = 0.0036765 k( 196) = ( -0.0555556 -0.0555556 0.0555556), wk = 0.0036765 k( 197) = ( -0.0462963 -0.0462963 0.0462963), wk = 0.0036765 k( 198) = ( -0.0370370 -0.0370370 0.0370370), wk = 0.0036765 k( 199) = ( -0.0277778 -0.0277778 0.0277778), wk = 0.0036765 k( 200) = ( -0.0185185 -0.0185185 0.0185185), wk = 0.0036765 k( 201) = ( -0.0092593 -0.0092593 0.0092593), wk = 0.0036765 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 204) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0036765 k( 205) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0036765 k( 206) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0036765 k( 207) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0036765 k( 208) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0036765 k( 209) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0036765 k( 210) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 211) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0036765 k( 212) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0036765 k( 213) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0036765 k( 214) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0036765 k( 215) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0036765 k( 216) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0036765 k( 217) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 218) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0036765 k( 219) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0036765 k( 220) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0036765 k( 221) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0036765 k( 222) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0036765 k( 223) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0036765 k( 224) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 225) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0036765 k( 226) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0036765 k( 227) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0036765 k( 228) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0036765 k( 229) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0036765 k( 230) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0036765 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 232) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0036765 k( 233) = ( 0.0000000 -0.4875000 0.4875000), wk = 0.0036765 k( 234) = ( 0.0000000 -0.4750000 0.4750000), wk = 0.0036765 k( 235) = ( 0.0000000 -0.4625000 0.4625000), wk = 0.0036765 k( 236) = ( 0.0000000 -0.4500000 0.4500000), wk = 0.0036765 k( 237) = ( 0.0000000 -0.4375000 0.4375000), wk = 0.0036765 k( 238) = ( 0.0000000 -0.4250000 0.4250000), wk = 0.0036765 k( 239) = ( 0.0000000 -0.4125000 0.4125000), wk = 0.0036765 k( 240) = ( 0.0000000 -0.4000000 0.4000000), wk = 0.0036765 k( 241) = ( 0.0000000 -0.3875000 0.3875000), wk = 0.0036765 k( 242) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0036765 k( 243) = ( 0.0000000 -0.3625000 0.3625000), wk = 0.0036765 k( 244) = ( 0.0000000 -0.3500000 0.3500000), wk = 0.0036765 k( 245) = ( 0.0000000 -0.3375000 0.3375000), wk = 0.0036765 k( 246) = ( 0.0000000 -0.3250000 0.3250000), wk = 0.0036765 k( 247) = ( 0.0000000 -0.3125000 0.3125000), wk = 0.0036765 k( 248) = ( 0.0000000 -0.3000000 0.3000000), wk = 0.0036765 k( 249) = ( 0.0000000 -0.2875000 0.2875000), wk = 0.0036765 k( 250) = ( 0.0000000 -0.2750000 0.2750000), wk = 0.0036765 k( 251) = ( 0.0000000 -0.2625000 0.2625000), wk = 0.0036765 k( 252) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0036765 k( 253) = ( 0.0000000 -0.2375000 0.2375000), wk = 0.0036765 k( 254) = ( 0.0000000 -0.2250000 0.2250000), wk = 0.0036765 k( 255) = ( 0.0000000 -0.2125000 0.2125000), wk = 0.0036765 k( 256) = ( 0.0000000 -0.2000000 0.2000000), wk = 0.0036765 k( 257) = ( 0.0000000 -0.1875000 0.1875000), wk = 0.0036765 k( 258) = ( 0.0000000 -0.1750000 0.1750000), wk = 0.0036765 k( 259) = ( 0.0000000 -0.1625000 0.1625000), wk = 0.0036765 k( 260) = ( 0.0000000 -0.1500000 0.1500000), wk = 0.0036765 k( 261) = ( 0.0000000 -0.1375000 0.1375000), wk = 0.0036765 k( 262) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0036765 k( 263) = ( 0.0000000 -0.1125000 0.1125000), wk = 0.0036765 k( 264) = ( 0.0000000 -0.1000000 0.1000000), wk = 0.0036765 k( 265) = ( 0.0000000 -0.0875000 0.0875000), wk = 0.0036765 k( 266) = ( 0.0000000 -0.0750000 0.0750000), wk = 0.0036765 k( 267) = ( 0.0000000 -0.0625000 0.0625000), wk = 0.0036765 k( 268) = ( 0.0000000 -0.0500000 0.0500000), wk = 0.0036765 k( 269) = ( 0.0000000 -0.0375000 0.0375000), wk = 0.0036765 k( 270) = ( 0.0000000 -0.0250000 0.0250000), wk = 0.0036765 k( 271) = ( 0.0000000 -0.0125000 0.0125000), wk = 0.0036765 k( 272) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 Dense grid: 120747 G-vectors FFT dimensions: ( 60, 72, 72) Smooth grid: 52785 G-vectors FFT dimensions: ( 45, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 302, 62) NL pseudopotentials 0.71 Mb ( 151, 306) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 2516) G-vector shells 0.02 Mb ( 2449) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.14 Mb ( 302, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.58 Mb ( 306, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Si4P4Ru.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.6 secs Computing kpt #: 2 total cpu time spent up to now is 52.1 secs Computing kpt #: 3 total cpu time spent up to now is 56.3 secs Computing kpt #: 4 total cpu time spent up to now is 60.8 secs Computing kpt #: 5 total cpu time spent up to now is 65.0 secs Computing kpt #: 6 total cpu time spent up to now is 69.1 secs Computing kpt #: 7 total cpu time spent up to now is 73.1 secs Computing kpt #: 8 total cpu time spent up to now is 77.1 secs Computing kpt #: 9 total cpu time spent up to now is 83.5 secs Computing kpt #: 10 total cpu time spent up to now is 87.5 secs Computing kpt #: 11 total cpu time spent up to now is 91.5 secs Computing kpt #: 12 total cpu time spent up to now is 95.7 secs Computing kpt #: 13 total cpu time spent up to now is 99.8 secs Computing kpt #: 14 total cpu time spent up to now is 104.0 secs Computing kpt #: 15 total cpu time spent up to now is 108.4 secs Computing kpt #: 16 total cpu time spent up to now is 112.7 secs Computing kpt #: 17 total cpu time spent up to now is 117.1 secs Computing kpt #: 18 total cpu time spent up to now is 121.2 secs Computing kpt #: 19 total cpu time spent up to now is 125.2 secs Computing kpt #: 20 total cpu time spent up to now is 129.2 secs Computing kpt #: 21 total cpu time spent up to now is 133.5 secs Computing kpt #: 22 total cpu time spent up to now is 137.5 secs Computing kpt #: 23 total cpu time spent up to now is 142.0 secs Computing kpt #: 24 total cpu time spent up to now is 146.6 secs Computing kpt #: 25 total cpu time spent up to now is 151.1 secs Computing kpt #: 26 total cpu time spent up to now is 157.8 secs Computing kpt #: 27 total cpu time spent up to now is 162.9 secs Computing kpt #: 28 total cpu time spent up to now is 167.4 secs Computing kpt #: 29 total cpu time spent up to now is 172.2 secs Computing kpt #: 30 total cpu time spent up to now is 176.9 secs Computing kpt #: 31 total cpu time spent up to now is 181.0 secs Computing kpt #: 32 total cpu time spent up to now is 185.4 secs Computing kpt #: 33 total cpu time spent up to now is 189.9 secs Computing kpt #: 34 total cpu time spent up to now is 194.3 secs Computing kpt #: 35 total cpu time spent up to now is 199.0 secs Computing kpt #: 36 total cpu time spent up to now is 203.5 secs Computing kpt #: 37 total cpu time spent up to now is 208.2 secs Computing kpt #: 38 total cpu time spent up to now is 212.6 secs Computing kpt #: 39 total cpu time spent up to now is 216.9 secs Computing kpt #: 40 total cpu time spent up to now is 221.2 secs Computing kpt #: 41 total cpu time spent up to now is 225.1 secs Computing kpt #: 42 total cpu time spent up to now is 229.3 secs Computing kpt #: 43 total cpu time spent up to now is 233.3 secs Computing kpt #: 44 total cpu time spent up to now is 237.1 secs Computing kpt #: 45 total cpu time spent up to now is 241.0 secs Computing kpt #: 46 total cpu time spent up to now is 244.7 secs Computing kpt #: 47 total cpu time spent up to now is 248.3 secs Computing kpt #: 48 total cpu time spent up to now is 251.9 secs Computing kpt #: 49 total cpu time spent up to now is 255.6 secs Computing kpt #: 50 total cpu time spent up to now is 259.2 secs Computing kpt #: 51 total cpu time spent up to now is 262.9 secs Computing kpt #: 52 total cpu time spent up to now is 266.5 secs Computing kpt #: 53 total cpu time spent up to now is 270.4 secs Computing kpt #: 54 total cpu time spent up to now is 274.1 secs Computing kpt #: 55 total cpu time spent up to now is 277.8 secs Computing kpt #: 56 total cpu time spent up to now is 281.6 secs Computing kpt #: 57 total cpu time spent up to now is 285.3 secs Computing kpt #: 58 total cpu time spent up to now is 289.0 secs Computing kpt #: 59 total cpu time spent up to now is 293.0 secs Computing kpt #: 60 total cpu time spent up to now is 296.9 secs Computing kpt #: 61 total cpu time spent up to now is 301.0 secs Computing kpt #: 62 total cpu time spent up to now is 304.9 secs Computing kpt #: 63 total cpu time spent up to now is 308.7 secs Computing kpt #: 64 total cpu time spent up to now is 312.5 secs Computing kpt #: 65 total cpu time spent up to now is 316.3 secs Computing kpt #: 66 total cpu time spent up to now is 320.1 secs Computing kpt #: 67 total cpu time spent up to now is 323.9 secs Computing kpt #: 68 total cpu time spent up to now is 327.7 secs Computing kpt #: 69 total cpu time spent up to now is 331.3 secs Computing kpt #: 70 total cpu time spent up to now is 334.8 secs Computing kpt #: 71 total cpu time spent up to now is 338.6 secs Computing kpt #: 72 total cpu time spent up to now is 342.3 secs Computing kpt #: 73 total cpu time spent up to now is 346.1 secs Computing kpt #: 74 total cpu time spent up to now is 349.9 secs Computing kpt #: 75 total cpu time spent up to now is 353.9 secs Computing kpt #: 76 total cpu time spent up to now is 357.5 secs Computing kpt #: 77 total cpu time spent up to now is 361.4 secs Computing kpt #: 78 total cpu time spent up to now is 365.3 secs Computing kpt #: 79 total cpu time spent up to now is 369.1 secs Computing kpt #: 80 total cpu time spent up to now is 372.9 secs Computing kpt #: 81 total cpu time spent up to now is 376.7 secs Computing kpt #: 82 total cpu time spent up to now is 380.8 secs Computing kpt #: 83 total cpu time spent up to now is 384.7 secs Computing kpt #: 84 total cpu time spent up to now is 388.6 secs Computing kpt #: 85 total cpu time spent up to now is 392.6 secs Computing kpt #: 86 total cpu time spent up to now is 396.5 secs Computing kpt #: 87 total cpu time spent up to now is 400.7 secs Computing kpt #: 88 total cpu time spent up to now is 404.6 secs Computing kpt #: 89 total cpu time spent up to now is 408.8 secs Computing kpt #: 90 total cpu time spent up to now is 413.1 secs Computing kpt #: 91 total cpu time spent up to now is 419.5 secs Computing kpt #: 92 total cpu time spent up to now is 423.8 secs Computing kpt #: 93 total cpu time spent up to now is 428.4 secs Computing kpt #: 94 total cpu time spent up to now is 433.1 secs Computing kpt #: 95 total cpu time spent up to now is 437.8 secs Computing kpt #: 96 total cpu time spent up to now is 442.4 secs Computing kpt #: 97 total cpu time spent up to now is 447.0 secs Computing kpt #: 98 total cpu time spent up to now is 451.9 secs Computing kpt #: 99 total cpu time spent up to now is 457.2 secs Computing kpt #: 100 total cpu time spent up to now is 461.8 secs Computing kpt #: 101 total cpu time spent up to now is 466.0 secs Computing kpt #: 102 total cpu time spent up to now is 470.4 secs Computing kpt #: 103 total cpu time spent up to now is 474.5 secs Computing kpt #: 104 total cpu time spent up to now is 479.1 secs Computing kpt #: 105 total cpu time spent up to now is 484.1 secs Computing kpt #: 106 total cpu time spent up to now is 488.6 secs Computing kpt #: 107 total cpu time spent up to now is 493.1 secs Computing kpt #: 108 total cpu time spent up to now is 497.9 secs Computing kpt #: 109 total cpu time spent up to now is 502.3 secs Computing kpt #: 110 total cpu time spent up to now is 506.7 secs Computing kpt #: 111 total cpu time spent up to now is 511.2 secs Computing kpt #: 112 total cpu time spent up to now is 515.7 secs Computing kpt #: 113 total cpu time spent up to now is 520.1 secs Computing kpt #: 114 total cpu time spent up to now is 524.3 secs Computing kpt #: 115 total cpu time spent up to now is 528.7 secs Computing kpt #: 116 total cpu time spent up to now is 532.9 secs Computing kpt #: 117 total cpu time spent up to now is 537.4 secs Computing kpt #: 118 total cpu time spent up to now is 541.6 secs Computing kpt #: 119 total cpu time spent up to now is 545.6 secs Computing kpt #: 120 total cpu time spent up to now is 549.7 secs Computing kpt #: 121 total cpu time spent up to now is 553.8 secs Computing kpt #: 122 total cpu time spent up to now is 557.8 secs Computing kpt #: 123 total cpu time spent up to now is 562.4 secs Computing kpt #: 124 total cpu time spent up to now is 566.3 secs Computing kpt #: 125 total cpu time spent up to now is 570.1 secs Computing kpt #: 126 total cpu time spent up to now is 576.1 secs Computing kpt #: 127 total cpu time spent up to now is 580.0 secs Computing kpt #: 128 total cpu time spent up to now is 583.8 secs Computing kpt #: 129 total cpu time spent up to now is 587.6 secs Computing kpt #: 130 total cpu time spent up to now is 591.3 secs Computing kpt #: 131 total cpu time spent up to now is 595.2 secs Computing kpt #: 132 total cpu time spent up to now is 599.1 secs Computing kpt #: 133 total cpu time spent up to now is 602.9 secs Computing kpt #: 134 total cpu time spent up to now is 606.8 secs Computing kpt #: 135 total cpu time spent up to now is 610.8 secs Computing kpt #: 136 total cpu time spent up to now is 614.7 secs Computing kpt #: 137 total cpu time spent up to now is 618.8 secs Computing kpt #: 138 total cpu time spent up to now is 622.8 secs Computing kpt #: 139 total cpu time spent up to now is 626.8 secs Computing kpt #: 140 total cpu time spent up to now is 630.9 secs Computing kpt #: 141 total cpu time spent up to now is 634.9 secs Computing kpt #: 142 total cpu time spent up to now is 641.7 secs Computing kpt #: 143 total cpu time spent up to now is 646.2 secs Computing kpt #: 144 total cpu time spent up to now is 650.5 secs Computing kpt #: 145 total cpu time spent up to now is 655.5 secs Computing kpt #: 146 total cpu time spent up to now is 660.0 secs Computing kpt #: 147 total cpu time spent up to now is 664.5 secs Computing kpt #: 148 total cpu time spent up to now is 668.5 secs Computing kpt #: 149 total cpu time spent up to now is 672.9 secs Computing kpt #: 150 total cpu time spent up to now is 677.2 secs Computing kpt #: 151 total cpu time spent up to now is 681.4 secs Computing kpt #: 152 total cpu time spent up to now is 685.8 secs Computing kpt #: 153 total cpu time spent up to now is 690.3 secs Computing kpt #: 154 total cpu time spent up to now is 694.9 secs Computing kpt #: 155 total cpu time spent up to now is 700.4 secs Computing kpt #: 156 total cpu time spent up to now is 705.0 secs Computing kpt #: 157 total cpu time spent up to now is 709.8 secs Computing kpt #: 158 total cpu time spent up to now is 714.7 secs Computing kpt #: 159 total cpu time spent up to now is 719.4 secs Computing kpt #: 160 total cpu time spent up to now is 724.1 secs Computing kpt #: 161 total cpu time spent up to now is 728.8 secs Computing kpt #: 162 total cpu time spent up to now is 733.3 secs Computing kpt #: 163 total cpu time spent up to now is 738.0 secs Computing kpt #: 164 total cpu time spent up to now is 742.7 secs Computing kpt #: 165 total cpu time spent up to now is 747.6 secs Computing kpt #: 166 total cpu time spent up to now is 752.3 secs Computing kpt #: 167 total cpu time spent up to now is 759.1 secs Computing kpt #: 168 total cpu time spent up to now is 763.7 secs Computing kpt #: 169 total cpu time spent up to now is 768.0 secs Computing kpt #: 170 total cpu time spent up to now is 772.3 secs Computing kpt #: 171 total cpu time spent up to now is 776.6 secs Computing kpt #: 172 total cpu time spent up to now is 780.7 secs Computing kpt #: 173 total cpu time spent up to now is 784.8 secs Computing kpt #: 174 total cpu time spent up to now is 788.9 secs Computing kpt #: 175 total cpu time spent up to now is 792.9 secs Computing kpt #: 176 total cpu time spent up to now is 797.1 secs Computing kpt #: 177 total cpu time spent up to now is 801.2 secs Computing kpt #: 178 total cpu time spent up to now is 805.3 secs Computing kpt #: 179 total cpu time spent up to now is 809.3 secs Computing kpt #: 180 total cpu time spent up to now is 813.3 secs Computing kpt #: 181 total cpu time spent up to now is 817.4 secs Computing kpt #: 182 total cpu time spent up to now is 821.4 secs Computing kpt #: 183 total cpu time spent up to now is 825.3 secs Computing kpt #: 184 total cpu time spent up to now is 829.1 secs Computing kpt #: 185 total cpu time spent up to now is 832.9 secs Computing kpt #: 186 total cpu time spent up to now is 836.8 secs Computing kpt #: 187 total cpu time spent up to now is 840.6 secs Computing kpt #: 188 total cpu time spent up to now is 844.7 secs Computing kpt #: 189 total cpu time spent up to now is 848.4 secs Computing kpt #: 190 total cpu time spent up to now is 852.1 secs Computing kpt #: 191 total cpu time spent up to now is 856.1 secs Computing kpt #: 192 total cpu time spent up to now is 859.8 secs Computing kpt #: 193 total cpu time spent up to now is 863.5 secs Computing kpt #: 194 total cpu time spent up to now is 867.7 secs Computing kpt #: 195 total cpu time spent up to now is 871.7 secs Computing kpt #: 196 total cpu time spent up to now is 876.1 secs Computing kpt #: 197 total cpu time spent up to now is 880.6 secs Computing kpt #: 198 total cpu time spent up to now is 885.1 secs Computing kpt #: 199 total cpu time spent up to now is 889.7 secs Computing kpt #: 200 total cpu time spent up to now is 894.3 secs Computing kpt #: 201 total cpu time spent up to now is 898.8 secs Computing kpt #: 202 total cpu time spent up to now is 903.7 secs Computing kpt #: 203 total cpu time spent up to now is 908.1 secs Computing kpt #: 204 total cpu time spent up to now is 912.1 secs Computing kpt #: 205 total cpu time spent up to now is 916.7 secs Computing kpt #: 206 total cpu time spent up to now is 920.8 secs Computing kpt #: 207 total cpu time spent up to now is 925.2 secs Computing kpt #: 208 total cpu time spent up to now is 929.2 secs Computing kpt #: 209 total cpu time spent up to now is 933.1 secs Computing kpt #: 210 total cpu time spent up to now is 936.9 secs Computing kpt #: 211 total cpu time spent up to now is 940.7 secs Computing kpt #: 212 total cpu time spent up to now is 944.6 secs Computing kpt #: 213 total cpu time spent up to now is 948.3 secs Computing kpt #: 214 total cpu time spent up to now is 952.0 secs Computing kpt #: 215 total cpu time spent up to now is 955.9 secs Computing kpt #: 216 total cpu time spent up to now is 959.8 secs Computing kpt #: 217 total cpu time spent up to now is 963.6 secs Computing kpt #: 218 total cpu time spent up to now is 967.4 secs Computing kpt #: 219 total cpu time spent up to now is 971.4 secs Computing kpt #: 220 total cpu time spent up to now is 975.3 secs Computing kpt #: 221 total cpu time spent up to now is 979.3 secs Computing kpt #: 222 total cpu time spent up to now is 983.3 secs Computing kpt #: 223 total cpu time spent up to now is 987.2 secs Computing kpt #: 224 total cpu time spent up to now is 991.3 secs Computing kpt #: 225 total cpu time spent up to now is 995.3 secs Computing kpt #: 226 total cpu time spent up to now is 999.3 secs Computing kpt #: 227 total cpu time spent up to now is 1003.2 secs Computing kpt #: 228 total cpu time spent up to now is 1007.1 secs Computing kpt #: 229 total cpu time spent up to now is 1010.9 secs Computing kpt #: 230 total cpu time spent up to now is 1014.6 secs Computing kpt #: 231 total cpu time spent up to now is 1018.2 secs Computing kpt #: 232 total cpu time spent up to now is 1022.2 secs Computing kpt #: 233 total cpu time spent up to now is 1026.3 secs Computing kpt #: 234 total cpu time spent up to now is 1030.7 secs Computing kpt #: 235 total cpu time spent up to now is 1034.7 secs Computing kpt #: 236 total cpu time spent up to now is 1038.7 secs Computing kpt #: 237 total cpu time spent up to now is 1043.0 secs Computing kpt #: 238 total cpu time spent up to now is 1047.0 secs Computing kpt #: 239 total cpu time spent up to now is 1051.0 secs Computing kpt #: 240 total cpu time spent up to now is 1056.3 secs Computing kpt #: 241 total cpu time spent up to now is 1061.9 secs Computing kpt #: 242 total cpu time spent up to now is 1066.2 secs Computing kpt #: 243 total cpu time spent up to now is 1070.5 secs Computing kpt #: 244 total cpu time spent up to now is 1074.6 secs Computing kpt #: 245 total cpu time spent up to now is 1078.8 secs Computing kpt #: 246 total cpu time spent up to now is 1083.0 secs Computing kpt #: 247 total cpu time spent up to now is 1087.1 secs Computing kpt #: 248 total cpu time spent up to now is 1091.2 secs Computing kpt #: 249 total cpu time spent up to now is 1095.3 secs Computing kpt #: 250 total cpu time spent up to now is 1099.5 secs Computing kpt #: 251 total cpu time spent up to now is 1103.6 secs Computing kpt #: 252 total cpu time spent up to now is 1107.8 secs Computing kpt #: 253 total cpu time spent up to now is 1111.8 secs Computing kpt #: 254 total cpu time spent up to now is 1116.2 secs Computing kpt #: 255 total cpu time spent up to now is 1120.6 secs Computing kpt #: 256 total cpu time spent up to now is 1124.7 secs Computing kpt #: 257 total cpu time spent up to now is 1128.7 secs Computing kpt #: 258 total cpu time spent up to now is 1132.8 secs Computing kpt #: 259 total cpu time spent up to now is 1136.7 secs Computing kpt #: 260 total cpu time spent up to now is 1140.7 secs Computing kpt #: 261 total cpu time spent up to now is 1144.6 secs Computing kpt #: 262 total cpu time spent up to now is 1148.6 secs Computing kpt #: 263 total cpu time spent up to now is 1152.5 secs Computing kpt #: 264 total cpu time spent up to now is 1156.7 secs Computing kpt #: 265 total cpu time spent up to now is 1160.7 secs Computing kpt #: 266 total cpu time spent up to now is 1165.1 secs Computing kpt #: 267 total cpu time spent up to now is 1169.4 secs Computing kpt #: 268 total cpu time spent up to now is 1173.5 secs Computing kpt #: 269 total cpu time spent up to now is 1177.8 secs Computing kpt #: 270 total cpu time spent up to now is 1183.4 secs Computing kpt #: 271 total cpu time spent up to now is 1187.9 secs Computing kpt #: 272 total cpu time spent up to now is 1192.2 secs ethr = 1.92E-11, avg # of iterations = 37.1 total cpu time spent up to now is 1192.4 secs End of band structure calculation k = 0.0000-0.4642-0.0234 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.6956 -3.6956 -3.3225 -3.3225 -1.3706 -1.3706 -1.0015 -1.0015 1.1562 1.1562 1.5585 1.5585 2.7505 2.7505 3.3833 3.3833 3.7611 3.7611 4.5407 4.5407 5.4019 5.4019 5.6269 5.6269 5.9788 5.9788 6.0926 6.0926 6.2820 6.2820 6.8687 6.8687 7.2975 7.2975 7.6054 7.6054 7.8058 7.8058 8.3476 8.3476 8.5856 8.5856 8.7227 8.7227 10.7339 10.7339 11.1148 11.1148 11.5057 11.5057 12.1650 12.1650 12.3156 12.3156 k = 0.0000-0.4487-0.0227 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.7070 -3.7066 -3.3098 -3.3093 -1.3718 -1.3712 -1.0016 -1.0008 1.1557 1.1563 1.5592 1.5595 2.7496 2.7505 3.3841 3.3847 3.7635 3.7639 4.5404 4.5408 5.3958 5.3979 5.6193 5.6216 5.9587 5.9675 6.0896 6.0993 6.3001 6.3059 6.8644 6.8663 7.2873 7.3002 7.5944 7.6101 7.7940 7.8107 8.3516 8.3565 8.5815 8.5896 8.7192 8.7262 10.7370 10.7389 11.1163 11.1193 11.5108 11.5120 12.1628 12.1648 12.3120 12.3168 k = 0.0000-0.4332-0.0219 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.7370 -3.7363 -3.2748 -3.2739 -1.3748 -1.3736 -1.0013 -0.9997 1.1549 1.1561 1.5617 1.5622 2.7476 2.7493 3.3870 3.3882 3.7711 3.7718 4.5401 4.5408 5.3786 5.3827 5.6019 5.6061 5.9195 5.9296 6.0957 6.1046 6.3510 6.3585 6.8535 6.8574 7.2704 7.2952 7.5780 7.6077 7.7777 7.8088 8.3685 8.3766 8.5771 8.5932 8.7162 8.7300 10.7476 10.7515 11.1240 11.1300 11.5275 11.5298 12.1568 12.1614 12.3063 12.3156 k = 0.0000-0.4178-0.0211 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.7784 -3.7776 -3.2248 -3.2236 -1.3795 -1.3777 -1.0005 -0.9982 1.1539 1.1556 1.5658 1.5666 2.7443 2.7468 3.3923 3.3941 3.7839 3.7848 4.5394 4.5406 5.3480 5.3535 5.5821 5.5875 5.8721 5.8812 6.1042 6.1116 6.4165 6.4238 6.8365 6.8423 7.2474 7.2826 7.5568 7.5966 7.7617 7.8029 8.3961 8.4053 8.5720 8.5955 8.7148 8.7347 10.7639 10.7699 11.1380 11.1472 11.5567 11.5597 12.1441 12.1515 12.3000 12.3130 k = 0.0000-0.4023-0.0203 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.8257 -3.8248 -3.1654 -3.1640 -1.3856 -1.3833 -0.9996 -0.9965 1.1528 1.1550 1.5716 1.5725 2.7393 2.7425 3.4004 3.4025 3.8016 3.8028 4.5382 4.5398 5.3032 5.3092 5.5663 5.5721 5.8218 5.8303 6.1103 6.1199 6.4842 6.4915 6.8142 6.8218 7.2200 7.2630 7.5308 7.5753 7.7512 7.7977 8.4309 8.4387 8.5666 8.5961 8.7166 8.7407 10.7838 10.7919 11.1585 11.1708 11.5990 11.6026 12.1208 12.1306 12.2959 12.3112 k = 0.0000-0.3868-0.0195 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.8755 -3.8746 -3.0999 -3.0983 -1.3930 -1.3903 -0.9986 -0.9949 1.1516 1.1543 1.5789 1.5800 2.7322 2.7360 3.4114 3.4138 3.8242 3.8255 4.5361 4.5381 5.2468 5.2529 5.5566 5.5623 5.7709 5.7793 6.1131 6.1260 6.5458 6.5534 6.7878 6.7971 7.1907 7.2388 7.5007 7.5447 7.7490 7.7971 8.4669 8.4718 8.5636 8.5967 8.7223 8.7482 10.8056 10.8155 11.1851 11.2003 11.6547 11.6585 12.0849 12.0959 12.2966 12.3123 k = 0.0000-0.3713-0.0187 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.9261 -3.9252 -3.0302 -3.0285 -1.4014 -1.3984 -0.9977 -0.9935 1.1505 1.1536 1.5877 1.5890 2.7227 2.7268 3.4256 3.4281 3.8514 3.8529 4.5325 4.5349 5.1839 5.1896 5.5517 5.5569 5.7207 5.7291 6.1116 6.1272 6.5930 6.6016 6.7594 6.7699 7.1630 7.2128 7.4690 7.5096 7.7549 7.8031 8.4898 8.4993 8.5718 8.6037 8.7318 8.7570 10.8284 10.8400 11.2169 11.2346 11.7220 11.7259 12.0387 12.0498 12.3025 12.3171 k = 0.0000-0.3559-0.0180 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.9764 -3.9756 -2.9574 -2.9557 -1.4107 -1.4073 -0.9972 -0.9926 1.1496 1.1530 1.5979 1.5993 2.7103 2.7147 3.4431 3.4456 3.8831 3.8847 4.5268 4.5296 5.1191 5.1246 5.5489 5.5537 5.6723 5.6808 6.1048 6.1224 6.6173 6.6279 6.7317 6.7428 7.1395 7.1874 7.4419 7.4769 7.7668 7.8146 8.4926 8.5090 8.5996 8.6246 8.7447 8.7669 10.8522 10.8651 11.2524 11.2719 11.7941 11.7983 11.9914 12.0015 12.3125 12.3252 k = 0.0000-0.3404-0.0172 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0258 -4.0250 -2.8824 -2.8805 -1.4205 -1.4169 -0.9973 -0.9923 1.1489 1.1526 1.6094 1.6109 2.6948 2.6993 3.4639 3.4663 3.9190 3.9206 4.5180 4.5212 5.0565 5.0617 5.5444 5.5495 5.6280 5.6366 6.0917 6.1105 6.6129 6.6258 6.7072 6.7183 7.1199 7.1618 7.4273 7.4550 7.7822 7.8295 8.4838 8.5027 8.6371 8.6561 8.7605 8.7785 10.8775 10.8914 11.2897 11.3106 11.8382 11.8467 11.9773 11.9833 12.3259 12.3361 k = 0.0000-0.3249-0.0164 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0740 -4.0732 -2.8055 -2.8035 -1.4307 -1.4270 -0.9981 -0.9928 1.1483 1.1522 1.6223 1.6238 2.6761 2.6806 3.4877 3.4900 3.9589 3.9604 4.5051 4.5086 4.9993 5.0043 5.5305 5.5373 5.5944 5.6032 6.0723 6.0914 6.5824 6.5970 6.6846 6.6956 7.0988 7.1324 7.4319 7.4513 7.7986 7.8450 8.4708 8.4890 8.6727 8.6909 8.7784 8.7941 10.9045 10.9190 11.3270 11.3489 11.8146 11.8283 12.0355 12.0416 12.3423 12.3500 k = 0.0000-0.3095-0.0156 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1205 -4.1198 -2.7272 -2.7251 -1.4410 -1.4373 -0.9997 -0.9943 1.1477 1.1517 1.6364 1.6380 2.6543 2.6587 3.5144 3.5164 4.0021 4.0036 4.4874 4.4912 4.9499 4.9548 5.5006 5.5087 5.5784 5.5868 6.0470 6.0656 6.5326 6.5481 6.6632 6.6734 7.0708 7.0970 7.4555 7.4678 7.8135 7.8585 8.4565 8.4723 8.7011 8.7241 8.7974 8.8169 10.9332 10.9479 11.3617 11.3842 11.7724 11.7891 12.1184 12.1279 12.3625 12.3688 k = 0.0000-0.2940-0.0148 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1653 -4.1646 -2.6477 -2.6455 -1.4514 -1.4476 -1.0023 -0.9967 1.1468 1.1509 1.6517 1.6533 2.6297 2.6338 3.5436 3.5454 4.0481 4.0494 4.4646 4.4685 4.9099 4.9145 5.4623 5.4710 5.5711 5.5794 6.0173 6.0345 6.4681 6.4843 6.6449 6.6534 7.0353 7.0567 7.4922 7.5003 7.8248 7.8675 8.4422 8.4548 8.7226 8.7499 8.8206 8.8457 10.9627 10.9775 11.3909 11.4134 11.7402 11.7602 12.1946 12.2093 12.3880 12.3971 k = 0.0000-0.2785-0.0141 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2082 -4.2075 -2.5675 -2.5652 -1.4616 -1.4578 -1.0058 -1.0001 1.1454 1.1495 1.6683 1.6699 2.6026 2.6066 3.5749 3.5764 4.0957 4.0968 4.4376 4.4414 4.8797 4.8839 5.4228 5.4322 5.5635 5.5725 5.9851 6.0003 6.3933 6.4101 6.6310 6.6372 6.9949 7.0140 7.5347 7.5418 7.8303 7.8699 8.4287 8.4378 8.7393 8.7672 8.8494 8.8766 10.9922 11.0065 11.4125 11.4341 11.7283 11.7510 12.2522 12.2711 12.4234 12.4357 k = 0.0000-0.2630-0.0133 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2491 -4.2484 -2.4868 -2.4844 -1.4716 -1.4678 -1.0103 -1.0046 1.1429 1.1470 1.6861 1.6877 2.5738 2.5774 3.6079 3.6093 4.1427 4.1438 4.4088 4.4122 4.8586 4.8624 5.3848 5.3953 5.5516 5.5622 5.9529 5.9655 6.3124 6.3298 6.6215 6.6251 6.9522 6.9709 7.5773 7.5860 7.8285 7.8642 8.4160 8.4224 8.7532 8.7790 8.8803 8.9074 11.0203 11.0338 11.4282 11.4478 11.7391 11.7635 12.2911 12.3104 12.4661 12.4775 k = 0.0000-0.2476-0.0125 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2879 -4.2873 -2.4059 -2.4033 -1.4811 -1.4774 -1.0158 -1.0101 1.1390 1.1429 1.7050 1.7067 2.5438 2.5471 3.6424 3.6437 4.1850 4.1868 4.3824 4.3856 4.8455 4.8488 5.3489 5.3611 5.5335 5.5463 5.9224 5.9325 6.2294 6.2477 6.6145 6.6176 6.9093 6.9289 7.6156 7.6284 7.8186 7.8500 8.4036 8.4098 8.7654 8.7884 8.9107 8.9366 11.0466 11.0589 11.4427 11.4604 11.7687 11.7935 12.3188 12.3360 12.5043 12.5115 k = 0.0000-0.2321-0.0117 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3245 -4.3240 -2.3251 -2.3224 -1.4902 -1.4866 -1.0221 -1.0165 1.1331 1.1369 1.7250 1.7268 2.5134 2.5164 3.6780 3.6792 4.2142 4.2174 4.3669 4.3702 4.8391 4.8419 5.3153 5.3298 5.5089 5.5244 5.8930 5.9016 6.1490 6.1686 6.6084 6.6146 6.8676 6.8891 7.6451 7.6651 7.8007 7.8284 8.3912 8.3997 8.7767 8.7968 8.9391 8.9636 11.0719 11.0831 11.4601 11.4768 11.8109 11.8353 12.3415 12.3560 12.5299 12.5328 k = 0.0000-0.2166-0.0109 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3590 -4.3585 -2.2448 -2.2420 -1.4986 -1.4953 -1.0292 -1.0238 1.1248 1.1283 1.7460 1.7479 2.4834 2.4863 3.7145 3.7158 4.2197 4.2243 4.3728 4.3766 4.8383 4.8409 5.2833 5.3011 5.4793 5.4978 5.8610 5.8697 6.0778 6.0987 6.6033 6.6138 6.8285 6.8528 7.6601 7.6920 7.7761 7.8040 8.3794 8.3908 8.7876 8.8050 8.9654 8.9884 11.0984 11.1086 11.4814 11.4984 11.8606 11.8843 12.3620 12.3739 12.5410 12.5465 k = 0.0000-0.2011-0.0102 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3912 -4.3908 -2.1654 -2.1625 -1.5065 -1.5033 -1.0371 -1.0317 1.1136 1.1169 1.7678 1.7697 2.4548 2.4575 3.7516 3.7531 4.2048 4.2098 4.3965 4.4006 4.8422 4.8453 5.2523 5.2741 5.4479 5.4695 5.8202 5.8289 6.0251 6.0457 6.5982 6.6134 6.7938 6.8211 7.6541 7.6972 7.7535 7.7847 8.3684 8.3825 8.7983 8.8134 8.9898 9.0111 11.1286 11.1383 11.5051 11.5231 11.9147 11.9375 12.3803 12.3899 12.5482 12.5576 k = 0.0000-0.1857-0.0094 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4212 -4.4208 -2.0874 -2.0843 -1.5136 -1.5107 -1.0455 -1.0403 1.0992 1.1023 1.7901 1.7921 2.4284 2.4309 3.7891 3.7907 4.1815 4.1866 4.4244 4.4287 4.8494 4.8538 5.2218 5.2483 5.4186 5.4428 5.7677 5.7742 5.9960 6.0138 6.5918 6.6111 6.7658 6.7958 7.6254 7.6644 7.7486 7.7720 8.3582 8.3745 8.8091 8.8221 9.0126 9.0321 11.1647 11.1741 11.5288 11.5477 11.9707 11.9926 12.3947 12.4020 12.5624 12.5735 k = 0.0000-0.1702-0.0086 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4488 -4.4485 -2.0112 -2.0081 -1.5199 -1.5174 -1.0543 -1.0492 1.0817 1.0844 1.8126 1.8147 2.4048 2.4073 3.8263 3.8283 4.1570 4.1623 4.4485 4.4530 4.8571 4.8635 5.1933 5.2245 5.3936 5.4199 5.7079 5.7114 5.9859 6.0000 6.5827 6.6043 6.7475 6.7782 7.5799 7.6113 7.7450 7.7592 8.3494 8.3670 8.8200 8.8312 9.0341 9.0517 11.2076 11.2170 11.5503 11.5699 12.0264 12.0475 12.4043 12.4092 12.5903 12.6005 k = 0.0000-0.1547-0.0078 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4742 -4.4738 -1.9375 -1.9342 -1.5254 -1.5233 -1.0634 -1.0585 1.0611 1.0635 1.8348 1.8370 2.3848 2.3872 3.8627 3.8651 4.1342 4.1400 4.4661 4.4710 4.8603 4.8690 5.1710 5.2065 5.3725 5.3999 5.6490 5.6503 5.9876 5.9985 6.5701 6.5914 6.7405 6.7693 7.5237 7.5494 7.7324 7.7409 8.3423 8.3606 8.8310 8.8406 9.0546 9.0703 11.2569 11.2666 11.5685 11.5885 12.0791 12.0997 12.4106 12.4148 12.6326 12.6403 k = 0.0000-0.1393-0.0070 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4971 -4.4968 -1.8669 -1.8636 -1.5300 -1.5283 -1.0727 -1.0680 1.0378 1.0399 1.8563 1.8586 2.3685 2.3710 3.8969 3.8999 4.1156 4.1220 4.4774 4.4824 4.8532 4.8633 5.1599 5.1987 5.3514 5.3791 5.5979 5.6011 5.9971 6.0053 6.5544 6.5739 6.7434 6.7685 7.4604 7.4820 7.7091 7.7155 8.3374 8.3556 8.8420 8.8501 9.0742 9.0880 11.3112 11.3215 11.5833 11.6036 12.1259 12.1464 12.4174 12.4236 12.6860 12.6907 k = 0.0000-0.1238-0.0062 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.5177 -4.5175 -1.8004 -1.7969 -1.5334 -1.5321 -1.0820 -1.0775 1.0125 1.0143 1.8767 1.8789 2.3564 2.3588 3.9265 3.9304 4.1037 4.1110 4.4833 4.4884 4.8330 4.8431 5.1608 5.2012 5.3266 5.3540 5.5626 5.5688 6.0130 6.0190 6.5366 6.5546 6.7533 6.7742 7.3926 7.4109 7.6764 7.6832 8.3347 8.3521 8.8526 8.8595 9.0927 9.1047 11.3677 11.3789 11.5963 11.6168 12.1644 12.1846 12.4295 12.4382 12.7458 12.7476 k = 0.0000-0.1083-0.0055 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4893 -31.4198 -31.4198 -4.5359 -4.5357 -1.7390 -1.7354 -1.5356 -1.5345 -1.0912 -1.0869 0.9860 0.9876 1.8953 1.8974 2.3481 2.3504 3.9481 3.9525 4.1025 4.1103 4.4852 4.4903 4.8019 4.8111 5.1653 5.2041 5.3030 5.3279 5.5451 5.5539 6.0353 6.0392 6.5181 6.5356 6.7671 6.7846 7.3222 7.3380 7.6369 7.6447 8.3340 8.3500 8.8627 8.8684 9.1101 9.1202 11.4220 11.4344 11.6106 11.6311 12.1935 12.2131 12.4493 12.4599 12.8054 12.8069 k = 0.0000-0.0928-0.0047 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5517 -4.5515 -1.6843 -1.6806 -1.5360 -1.5343 -1.1001 -1.0961 0.9596 0.9608 1.9119 1.9138 2.3433 2.3455 3.9589 3.9631 4.1150 4.1226 4.4841 4.4892 4.7648 4.7730 5.1591 5.1880 5.2981 5.3137 5.5406 5.5509 6.0646 6.0666 6.4997 6.5179 6.7823 6.7972 7.2520 7.2654 7.5935 7.6020 8.3348 8.3490 8.8719 8.8766 9.1261 9.1345 11.4680 11.4810 11.6316 11.6514 12.2143 12.2326 12.4763 12.4878 12.8574 12.8617 k = 0.0000-0.0774-0.0039 ( 6600 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5651 -4.5650 -1.6390 -1.6350 -1.5329 -1.5300 -1.1086 -1.1048 0.9343 0.9353 1.9260 1.9278 2.3415 2.3435 3.9605 3.9637 4.1393 4.1460 4.4802 4.4854 4.7268 4.7341 5.1352 5.1523 5.3131 5.3190 5.5425 5.5530 6.1007 6.1024 6.4818 6.5013 6.7956 6.8093 7.1854 7.1966 7.5489 7.5576 8.3365 8.3486 8.8801 8.8838 9.1404 9.1471 11.5001 11.5117 11.6643 11.6814 12.2292 12.2459 12.5078 12.5192 12.8971 12.9036 k = 0.0000-0.0619-0.0031 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5761 -4.5760 -1.6067 -1.6025 -1.5232 -1.5193 -1.1164 -1.1130 0.9114 0.9122 1.9376 1.9391 2.3418 2.3435 3.9570 3.9593 4.1701 4.1758 4.4731 4.4784 4.6920 4.6986 5.1021 5.1120 5.3332 5.3373 5.5458 5.5556 6.1430 6.1467 6.4643 6.4853 6.8033 6.8168 7.1276 7.1364 7.5057 7.5140 8.3387 8.3485 8.8870 8.8899 9.1527 9.1579 11.5182 11.5271 11.7058 11.7191 12.2408 12.2553 12.5408 12.5516 12.9215 12.9292 k = 0.0000-0.0464-0.0023 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5846 -4.5845 -1.5888 -1.5853 -1.5059 -1.5020 -1.1230 -1.1202 0.8921 0.8927 1.9467 1.9478 2.3433 2.3446 3.9519 3.9534 4.2027 4.2075 4.4623 4.4675 4.6641 4.6697 5.0694 5.0753 5.3534 5.3580 5.5480 5.5564 6.1906 6.1968 6.4462 6.4683 6.8016 6.8153 7.0846 7.0913 7.4670 7.4742 8.3411 8.3485 8.8926 8.8947 9.1626 9.1664 11.5270 11.5333 11.7474 11.7572 12.2506 12.2625 12.5726 12.5822 12.9327 12.9402 k = 0.0000-0.0309-0.0016 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5907 -4.5907 -1.5806 -1.5783 -1.4869 -1.4841 -1.1282 -1.1262 0.8775 0.8779 1.9531 1.9539 2.3452 2.3461 3.9473 3.9482 4.2332 4.2370 4.4486 4.4530 4.6451 4.6492 5.0429 5.0463 5.3712 5.3752 5.5486 5.5549 6.2398 6.2486 6.4267 6.4482 6.7908 6.8031 7.0597 7.0647 7.4360 7.4414 8.3433 8.3482 8.8967 8.8981 9.1701 9.1726 11.5312 11.5352 11.7819 11.7884 12.2590 12.2677 12.6006 12.6080 12.9351 12.9412 k = 0.0000-0.0155-0.0008 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5944 -4.5943 -1.5770 -1.5759 -1.4730 -1.4716 -1.1313 -1.1302 0.8684 0.8686 1.9570 1.9574 2.3467 2.3472 3.9442 3.9447 4.2569 4.2592 4.4358 4.4386 4.6351 4.6373 5.0259 5.0275 5.3840 5.3863 5.5488 5.5522 6.2843 6.2935 6.4075 6.4240 6.7790 6.7865 7.0501 7.0529 7.4161 7.4190 8.3452 8.3477 8.8993 8.9000 9.1749 9.1761 11.5333 11.5353 11.8049 11.8082 12.2657 12.2703 12.6211 12.6253 12.9341 12.9375 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k = 0.0135 0.0047 0.0056 ( 6600 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5945 -4.5944 -1.5851 -1.5829 -1.4611 -1.4588 -1.1334 -1.1333 0.8667 0.8668 1.9557 1.9565 2.3454 2.3461 3.9429 3.9446 4.2505 4.2541 4.4410 4.4449 4.6299 4.6322 5.0270 5.0286 5.3877 5.3894 5.5504 5.5548 6.2852 6.2917 6.4177 6.4313 6.7732 6.7838 7.0465 7.0505 7.4166 7.4193 8.3430 8.3438 8.8983 8.9000 9.1749 9.1766 11.5287 11.5339 11.8037 11.8061 12.2629 12.2687 12.6251 12.6282 12.9366 12.9407 k = 0.0270 0.0095 0.0113 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5911 -4.5910 -1.6061 -1.6027 -1.4434 -1.4399 -1.1373 -1.1371 0.8706 0.8709 1.9484 1.9499 2.3400 2.3413 3.9425 3.9460 4.2169 4.2224 4.4623 4.4683 4.6272 4.6319 5.0459 5.0490 5.3854 5.3884 5.5565 5.5646 6.2441 6.2494 6.4560 6.4748 6.7739 6.7940 7.0447 7.0520 7.4378 7.4429 8.3328 8.3345 8.8935 8.8970 9.1706 9.1741 11.5165 11.5269 11.7773 11.7818 12.2481 12.2595 12.6139 12.6196 12.9467 12.9545 k = 0.0405 0.0142 0.0169 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5855 -4.5853 -1.6325 -1.6288 -1.4210 -1.4170 -1.1437 -1.1434 0.8771 0.8775 1.9369 1.9391 2.3311 2.3330 3.9389 3.9442 4.1821 4.1887 4.4759 4.4828 4.6337 4.6403 5.0721 5.0764 5.3849 5.3892 5.5675 5.5786 6.2000 6.2028 6.4997 6.5213 6.7776 6.8047 7.0470 7.0563 7.4713 7.4783 8.3165 8.3189 8.8860 8.8914 9.1643 9.1695 11.4978 11.5135 11.7387 11.7451 12.2245 12.2412 12.5974 12.6051 12.9606 12.9716 k = 0.0541 0.0189 0.0225 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5776 -4.5774 -1.6617 -1.6578 -1.3971 -1.3929 -1.1526 -1.1522 0.8859 0.8865 1.9217 1.9246 2.3189 2.3213 3.9271 3.9336 4.1574 4.1644 4.4741 4.4807 4.6539 4.6612 5.0995 5.1045 5.3894 5.3949 5.5829 5.5959 6.1551 6.1588 6.5452 6.5682 6.7829 6.8139 7.0568 7.0665 7.5139 7.5227 8.2944 8.2973 8.8757 8.8828 9.1563 9.1631 11.4722 11.4932 11.6929 11.7013 12.1918 12.2137 12.5768 12.5860 12.9724 12.9861 k = 0.0676 0.0237 0.0282 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5675 -4.5672 -1.6924 -1.6885 -1.3733 -1.3689 -1.1637 -1.1631 0.8968 0.8976 1.9036 1.9070 2.3034 2.3061 3.9028 3.9095 4.1500 4.1564 4.4610 4.4669 4.6816 4.6888 5.1236 5.1289 5.4010 5.4080 5.6023 5.6161 6.1120 6.1196 6.5918 6.6152 6.7891 6.8207 7.0752 7.0843 7.5631 7.5734 8.2670 8.2705 8.8623 8.8712 9.1469 9.1554 11.4399 11.4660 11.6450 11.6552 12.1509 12.1776 12.5531 12.5635 12.9761 12.9918 k = 0.0811 0.0284 0.0338 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5551 -4.5548 -1.7241 -1.7203 -1.3503 -1.3458 -1.1768 -1.1760 0.9095 0.9104 1.8833 1.8872 2.2847 2.2878 3.8668 3.8729 4.1599 4.1649 4.4428 4.4482 4.7087 4.7155 5.1433 5.1483 5.4195 5.4280 5.6253 5.6387 6.0742 6.0866 6.6393 6.6620 6.7968 6.8263 7.1010 7.1098 7.6163 7.6283 8.2352 8.2391 8.8456 8.8561 9.1367 9.1466 11.4014 11.4320 11.5985 11.6102 12.1031 12.1341 12.5277 12.5387 12.9674 12.9839 k = 0.0946 0.0331 0.0394 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5405 -4.5401 -1.7565 -1.7528 -1.3288 -1.3243 -1.1914 -1.1903 0.9234 0.9245 1.8618 1.8660 2.2632 2.2665 3.8236 3.8290 4.1821 4.1858 4.4232 4.4284 4.7301 4.7362 5.1605 5.1653 5.4415 5.4512 5.6511 5.6631 6.0444 6.0625 6.6875 6.7083 6.8076 6.8331 7.1319 7.1416 7.6715 7.6853 8.2002 8.2043 8.8255 8.8375 9.1263 9.1374 11.3581 11.3922 11.5557 11.5681 12.0504 12.0847 12.5014 12.5125 12.9435 12.9595 k = 0.1081 0.0379 0.0451 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5237 -4.5232 -1.7895 -1.7860 -1.3099 -1.3055 -1.2067 -1.2051 0.9381 0.9395 1.8398 1.8443 2.2391 2.2426 3.7774 3.7821 4.2117 4.2145 4.4040 4.4093 4.7433 4.7483 5.1785 5.1833 5.4623 5.4730 5.6779 5.6883 6.0256 6.0499 6.7360 6.7531 6.8242 6.8436 7.1653 7.1767 7.7266 7.7427 8.1636 8.1677 8.8020 8.8150 9.1163 9.1281 11.3124 11.3491 11.5167 11.5290 11.9945 12.0313 12.4749 12.4859 12.9035 12.9180 k = 0.1216 0.0426 0.0507 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5046 -4.5042 -1.8231 -1.8197 -1.2960 -1.2919 -1.2203 -1.2180 0.9531 0.9547 1.8183 1.8231 2.2130 2.2166 3.7308 3.7349 4.2448 4.2475 4.3863 4.3920 4.7480 4.7518 5.1996 5.2048 5.4783 5.4895 5.7036 5.7138 6.0204 6.0505 6.7827 6.7962 6.8480 6.8620 7.1992 7.2123 7.7793 7.7983 8.1274 8.1316 8.7751 8.7889 9.1070 9.1193 11.2668 11.3056 11.4808 11.4923 11.9375 11.9757 12.4487 12.4592 12.8483 12.8613 k = 0.1351 0.0474 0.0563 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4834 -4.4829 -1.8571 -1.8539 -1.2921 -1.2888 -1.2268 -1.2237 0.9675 0.9695 1.7983 1.8032 2.1853 2.1889 3.6854 3.6890 4.2768 4.2802 4.3716 4.3782 4.7461 4.7488 5.2244 5.2301 5.4871 5.4987 5.7275 5.7387 6.0297 6.0642 6.8222 6.8426 6.8733 6.8953 7.2313 7.2460 7.8267 7.8496 8.0944 8.0999 8.7454 8.7597 9.0989 9.1111 11.2234 11.2639 11.4470 11.4572 11.8812 11.9197 12.4230 12.4330 12.7813 12.7934 k = 0.1486 0.0521 0.0620 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4600 -4.4594 -1.8917 -1.8887 -1.3018 -1.2998 -1.2224 -1.2189 0.9808 0.9831 1.7807 1.7857 2.1566 2.1602 3.6422 3.6453 4.2999 4.3043 4.3651 4.3724 4.7412 4.7430 5.2521 5.2584 5.4887 5.5003 5.7510 5.7625 6.0519 6.0888 6.8571 6.8905 6.9025 6.9394 7.2596 7.2755 7.8648 7.8925 8.0686 8.0782 8.7136 8.7281 9.0919 9.1039 11.1839 11.2260 11.4144 11.4237 11.8274 11.8651 12.3979 12.4072 12.7076 12.7192 k = 0.1622 0.0568 0.0676 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4345 -4.4339 -1.9268 -1.9241 -1.3206 -1.3195 -1.2119 -1.2083 0.9920 0.9947 1.7664 1.7713 2.1275 2.1310 3.6019 3.6046 4.3043 4.3078 4.3749 4.3806 4.7378 4.7394 5.2819 5.2887 5.4845 5.4961 5.7748 5.7854 6.0839 6.1212 6.8917 6.9251 6.9495 6.9877 7.2830 7.2995 7.8891 7.9211 8.0567 8.0719 8.6810 8.6954 9.0862 9.0976 11.1491 11.1926 11.3824 11.3921 11.7779 11.8135 12.3729 12.3818 12.6320 12.6435 k = 0.1757 0.0616 0.0732 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4068 -4.4061 -1.9626 -1.9601 -1.3438 -1.3432 -1.2001 -1.1964 1.0006 1.0036 1.7562 1.7609 2.0986 2.1019 3.5648 3.5671 4.2939 4.2971 4.3898 4.3944 4.7410 4.7430 5.3127 5.3200 5.4768 5.4885 5.7984 5.8076 6.1225 6.1589 6.9243 6.9531 7.0039 7.0378 7.3016 7.3181 7.8999 7.9321 8.0625 8.0813 8.6488 8.6630 9.0815 9.0922 11.1195 11.1639 11.3511 11.3632 11.7340 11.7668 12.3471 12.3556 12.5589 12.5707 k = 0.1892 0.0663 0.0789 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3770 -4.3763 -1.9991 -1.9968 -1.3695 -1.3690 -1.1885 -1.1849 1.0058 1.0092 1.7506 1.7550 2.0703 2.0736 3.5312 3.5330 4.2777 4.2814 4.3970 4.4013 4.7552 4.7575 5.3441 5.3520 5.4683 5.4802 5.8207 5.8284 6.1656 6.2001 6.9500 6.9745 7.0607 7.0892 7.3183 7.3338 7.9033 7.9326 8.0795 8.0994 8.6187 8.6328 9.0775 9.0874 11.0950 11.1396 11.3217 11.3374 11.6972 11.7262 12.3190 12.3268 12.4930 12.5050 k = 0.2027 0.0710 0.0845 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3452 -4.3444 -2.0365 -2.0344 -1.3968 -1.3960 -1.1780 -1.1744 1.0072 1.0110 1.7501 1.7540 2.0435 2.0465 3.5012 3.5026 4.2591 4.2633 4.3930 4.3970 4.7815 4.7839 5.3756 5.3843 5.4611 5.4737 5.8406 5.8474 6.2114 6.2435 6.9626 6.9838 7.1184 7.1411 7.3384 7.3515 7.9049 7.9305 8.0990 8.1188 8.5922 8.6061 9.0737 9.0830 11.0751 11.1184 11.2966 11.3156 11.6681 11.6930 12.2860 12.2927 12.4391 12.4508 k = 0.2162 0.0758 0.0902 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3113 -4.3105 -2.0748 -2.0729 -1.4250 -1.4239 -1.1687 -1.1652 1.0046 1.0087 1.7545 1.7578 2.0186 2.0215 3.4748 3.4758 4.2388 4.2434 4.3791 4.3826 4.8178 4.8200 5.4055 5.4161 5.4579 5.4721 5.8571 5.8643 6.2585 6.2877 6.9584 6.9770 7.1751 7.1924 7.3671 7.3764 7.9056 7.9278 8.1179 8.1367 8.5700 8.5840 9.0699 9.0785 11.0589 11.0989 11.2785 11.2988 11.6473 11.6681 12.2470 12.2520 12.4000 12.4109 k = 0.2297 0.0805 0.0958 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.2754 -4.2746 -2.1143 -2.1126 -1.4537 -1.4523 -1.1608 -1.1574 0.9980 1.0025 1.7631 1.7656 1.9965 1.9994 3.4520 3.4526 4.2174 4.2223 4.3580 4.3611 4.8606 4.8627 5.4281 5.4384 5.4691 5.4819 5.8702 5.8787 6.3050 6.3310 6.9383 6.9545 7.2284 7.2419 7.4056 7.4113 7.9030 7.9227 8.1370 8.1539 8.5518 8.5662 9.0654 9.0733 11.0456 11.0799 11.2695 11.2887 11.6350 11.6522 12.2039 12.2082 12.3740 12.3843 k = 0.2432 0.0852 0.1014 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.2375 -4.2367 -2.1550 -2.1534 -1.4826 -1.4808 -1.1542 -1.1509 0.9878 0.9926 1.7749 1.7764 1.9783 1.9813 3.4325 3.4328 4.1952 4.2003 4.3324 4.3350 4.9068 4.9091 5.4381 5.4449 5.5019 5.5092 5.8803 5.8907 6.3481 6.3705 6.9073 6.9213 7.2759 7.2886 7.4503 7.4565 7.8948 7.9131 8.1584 8.1731 8.5365 8.5517 9.0598 9.0671 11.0345 11.0615 11.2703 11.2863 11.6312 11.6453 12.1617 12.1665 12.3573 12.3673 k = 0.2568 0.0900 0.1071 ( 6612 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1978 -4.1969 -2.1972 -2.1956 -1.5113 -1.5093 -1.1490 -1.1457 0.9745 0.9795 1.7872 1.7883 1.9654 1.9691 3.4160 3.4164 4.1729 4.1780 4.3042 4.3063 4.9544 4.9570 5.4421 5.4486 5.5429 5.5479 5.8879 5.9004 6.3840 6.4021 6.8729 6.8847 7.3170 7.3315 7.4982 7.5074 7.8805 7.8983 8.1837 8.1965 8.5224 8.5389 9.0524 9.0592 11.0257 11.0452 11.2803 11.2921 11.6356 11.6473 12.1248 12.1310 12.3468 12.3568 k = 0.2703 0.0947 0.1127 ( 6615 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1561 -4.1551 -2.2408 -2.2393 -1.5397 -1.5374 -1.1449 -1.1417 0.9587 0.9639 1.7966 1.7991 1.9603 1.9652 3.4021 3.4028 4.1511 4.1562 4.2747 4.2763 5.0018 5.0048 5.4454 5.4522 5.5884 5.5929 5.8937 5.9083 6.4075 6.4203 6.8433 6.8530 7.3522 7.3693 7.5470 7.5586 7.8619 7.8794 8.2130 8.2248 8.5080 8.5258 9.0430 9.0493 11.0199 11.0330 11.2978 11.3057 11.6478 11.6577 12.0964 12.1043 12.3410 12.3510 k = 0.2838 0.0994 0.1183 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1126 -4.1116 -2.2861 -2.2846 -1.5673 -1.5648 -1.1420 -1.1389 0.9409 0.9462 1.8011 1.8051 1.9654 1.9714 3.3904 3.3914 4.1305 4.1354 4.2448 4.2461 5.0482 5.0517 5.4482 5.4552 5.6375 5.6424 5.8983 5.9151 6.4126 6.4211 6.8250 6.8336 7.3819 7.4016 7.5935 7.6063 7.8422 7.8591 8.2459 8.2574 8.4921 8.5112 9.0309 9.0371 11.0181 11.0270 11.3206 11.3259 11.6669 11.6758 12.0788 12.0888 12.3387 12.3488 k = 0.2973 0.1042 0.1240 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0672 -4.0662 -2.3331 -2.3316 -1.5940 -1.5914 -1.1400 -1.1370 0.9219 0.9273 1.8001 1.8049 1.9812 1.9877 3.3803 3.3817 4.1118 4.1163 4.2155 4.2169 5.0932 5.0972 5.4496 5.4568 5.6893 5.6946 5.9027 5.9216 6.3956 6.4058 6.8203 6.8297 7.4068 7.4284 7.6346 7.6469 7.8249 7.8409 8.2810 8.2931 8.4742 8.4941 9.0162 9.0226 11.0215 11.0289 11.3466 11.3512 11.6919 11.7007 12.0737 12.0862 12.3395 12.3496 k = 0.3108 0.1089 0.1296 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0202 -4.0192 -2.3818 -2.3803 -1.6195 -1.6168 -1.1389 -1.1360 0.9021 0.9075 1.7948 1.7999 2.0057 2.0124 3.3711 3.3728 4.0952 4.0991 4.1881 4.1900 5.1365 5.1411 5.4483 5.4556 5.7414 5.7469 5.9088 5.9294 6.3624 6.3785 6.8264 6.8373 7.4277 7.4509 7.6659 7.6762 7.8138 7.8300 8.3164 8.3304 8.4551 8.4747 8.9986 9.0057 11.0316 11.0394 11.3745 11.3793 11.7219 11.7312 12.0824 12.0974 12.3428 12.3529 k = 0.3243 0.1136 0.1352 ( 6622 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9715 -3.9705 -2.4323 -2.4308 -1.6437 -1.6409 -1.1385 -1.1358 0.8821 0.8875 1.7870 1.7922 2.0362 2.0427 3.3619 3.3640 4.0801 4.0831 4.1644 4.1675 5.1780 5.1833 5.4430 5.4500 5.7884 5.7940 5.9206 5.9418 6.3232 6.3455 6.8375 6.8491 7.4463 7.4705 7.6797 7.6910 7.8124 7.8334 8.3461 8.3671 8.4379 8.4558 8.9785 8.9867 11.0498 11.0587 11.4031 11.4082 11.7561 11.7663 12.1053 12.1227 12.3484 12.3585 k = 0.3378 0.1184 0.1409 ( 6621 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9212 -3.9202 -2.4846 -2.4831 -1.6664 -1.6636 -1.1387 -1.1361 0.8623 0.8675 1.7783 1.7832 2.0705 2.0767 3.3522 3.3545 4.0650 4.0669 4.1478 4.1522 5.2172 5.2233 5.4325 5.4390 5.8195 5.8298 5.9442 5.9648 6.2867 6.3151 6.8484 6.8599 7.4643 7.4895 7.6739 7.6889 7.8238 7.8508 8.3557 8.3935 8.4306 8.4526 8.9559 8.9656 11.0769 11.0867 11.4314 11.4369 11.7943 11.8050 12.1417 12.1607 12.3561 12.3661 k = 0.3514 0.1231 0.1465 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8694 -3.8683 -2.5385 -2.5370 -1.6874 -1.6847 -1.1393 -1.1369 0.8431 0.8481 1.7694 1.7740 2.1070 2.1128 3.3411 3.3437 4.0474 4.0487 4.1415 4.1469 5.2524 5.2597 5.4167 5.4223 5.8312 5.8496 5.9781 5.9997 6.2619 6.2952 6.8559 6.8667 7.4824 7.5090 7.6558 7.6728 7.8447 7.8751 8.3404 8.3806 8.4557 8.4755 8.9314 8.9426 11.1128 11.1235 11.4587 11.4649 11.8359 11.8468 12.1890 12.2089 12.3660 12.3759 k = 0.3649 0.1278 0.1521 ( 6617 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8162 -3.8151 -2.5940 -2.5924 -1.7067 -1.7041 -1.1403 -1.1381 0.8247 0.8295 1.7608 1.7651 2.1447 2.1501 3.3283 3.3310 4.0274 4.0284 4.1467 4.1525 5.2784 5.2872 5.3999 5.4041 5.8314 5.8558 6.0110 6.0345 6.2585 6.2935 6.8589 6.8687 7.4985 7.5284 7.6313 7.6501 7.8688 7.9006 8.3150 8.3538 8.4911 8.5078 8.9051 8.9182 11.1570 11.1687 11.4852 11.4927 11.8803 11.8912 12.2432 12.2629 12.3792 12.3888 k = 0.3784 0.1326 0.1578 ( 6622 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.7617 -3.7605 -2.6509 -2.6494 -1.7242 -1.7217 -1.1415 -1.1395 0.8075 0.8119 1.7528 1.7567 2.1825 2.1876 3.3137 3.3164 4.0063 4.0072 4.1624 4.1683 5.2803 5.2894 5.3969 5.3997 5.8263 5.8546 6.0325 6.0561 6.2840 6.3153 6.8580 6.8669 7.5055 7.5401 7.6090 7.6310 7.8922 7.9243 8.2879 8.3257 8.5256 8.5410 8.8776 8.8925 11.2084 11.2214 11.5115 11.5210 11.9263 11.9373 12.2971 12.3146 12.3991 12.4073 k = 0.3919 0.1373 0.1634 ( 6617 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.7059 -3.7048 -2.7090 -2.7075 -1.7399 -1.7376 -1.1429 -1.1410 0.7915 0.7956 1.7456 1.7491 2.2198 2.2245 3.2972 3.3000 3.9856 3.9863 4.1875 4.1931 5.2497 5.2570 5.4162 5.4198 5.8194 5.8501 6.0400 6.0635 6.3344 6.3590 6.8548 6.8630 7.4916 7.5226 7.6099 7.6278 7.9126 7.9438 8.2634 8.3000 8.5572 8.5725 8.8490 8.8661 11.2651 11.2800 11.5391 11.5511 11.9723 11.9839 12.3400 12.3523 12.4322 12.4367 k = 0.4054 0.1421 0.1690 ( 6613 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.6491 -3.6480 -2.7682 -2.7667 -1.7537 -1.7516 -1.1443 -1.1426 0.7772 0.7809 1.7391 1.7422 2.2558 2.2601 3.2795 3.2823 3.9662 3.9668 4.2207 4.2260 5.1991 5.2045 5.4459 5.4512 5.8122 5.8444 6.0384 6.0626 6.3991 6.4176 6.8510 6.8593 7.4559 7.4798 7.6293 7.6403 7.9284 7.9570 8.2453 8.2796 8.5848 8.6010 8.8201 8.8396 11.3245 11.3416 11.5702 11.5851 12.0165 12.0293 12.3656 12.3737 12.4731 12.4751 k = 0.4189 0.1468 0.1747 ( 6610 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.5914 -3.5903 -2.8281 -2.8267 -1.7656 -1.7637 -1.1456 -1.1442 0.7645 0.7677 1.7335 1.7362 2.2897 2.2936 3.2612 3.2638 3.9487 3.9492 4.2610 4.2660 5.1380 5.1421 5.4785 5.4853 5.8054 5.8385 6.0323 6.0571 6.4702 6.4842 6.8483 6.8575 7.4070 7.4265 7.6520 7.6588 7.9380 7.9622 8.2364 8.2667 8.6075 8.6257 8.7915 8.8138 11.3824 11.4016 11.6084 11.6263 12.0573 12.0717 12.3797 12.3864 12.5035 12.5059 k = 0.4324 0.1515 0.1803 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.5332 -3.5320 -2.8885 -2.8871 -1.7756 -1.7740 -1.1469 -1.1457 0.7536 0.7563 1.7288 1.7311 2.3208 2.3241 3.2431 3.2455 3.9334 3.9339 4.3072 4.3117 5.0714 5.0743 5.5109 5.5189 5.7995 5.8326 6.0240 6.0486 6.5429 6.5539 6.8483 6.8596 7.3503 7.3673 7.6728 7.6772 7.9412 7.9599 8.2376 8.2625 8.6245 8.6455 8.7646 8.7900 11.4339 11.4536 11.6585 11.6784 12.0925 12.1092 12.3866 12.3928 12.5100 12.5147 k = 0.4459 0.1563 0.1859 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4747 -3.4735 -2.9488 -2.9474 -1.7838 -1.7825 -1.1479 -1.1470 0.7446 0.7468 1.7250 1.7268 2.3481 2.3509 3.2263 3.2283 3.9207 3.9210 4.3578 4.3619 5.0024 5.0045 5.5414 5.5504 5.7945 5.8264 6.0151 6.0382 6.6130 6.6228 6.8528 6.8674 7.2883 7.3038 7.6896 7.6929 7.9392 7.9526 8.2470 8.2662 8.6349 8.6584 8.7424 8.7699 11.4754 11.4929 11.7230 11.7434 12.1202 12.1400 12.3832 12.3892 12.4956 12.5014 k = 0.4595 0.1610 0.1916 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4167 -3.4156 -3.0082 -3.0069 -1.7901 -1.7891 -1.1488 -1.1481 0.7376 0.7393 1.7220 1.7234 2.3708 2.3730 3.2117 3.2134 3.9106 3.9109 4.4108 4.4142 4.9344 4.9359 5.5688 5.5779 5.7909 5.8196 6.0069 6.0268 6.6752 6.6855 6.8654 6.8841 7.2229 7.2377 7.7016 7.7048 7.9345 7.9439 8.2609 8.2749 8.6387 8.6609 8.7294 8.7551 11.5060 11.5196 11.7993 11.8199 12.1377 12.1624 12.3598 12.3655 12.4783 12.4840 k = 0.4730 0.1657 0.1972 ( 6614 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.3611 -3.3600 -3.0648 -3.0637 -1.7945 -1.7939 -1.1494 -1.1489 0.7326 0.7338 1.7200 1.7209 2.3879 2.3894 3.2006 3.2017 3.9034 3.9036 4.4622 4.4649 4.8720 4.8730 5.5914 5.5993 5.7895 5.8118 6.0009 6.0158 6.7229 6.7331 6.8925 6.9137 7.1559 7.1706 7.7094 7.7121 7.9299 7.9362 8.2755 8.2846 8.6375 8.6532 8.7274 8.7456 11.5270 11.5362 11.8815 11.9032 12.1405 12.1724 12.3143 12.3225 12.4719 12.4763 k = 0.4865 0.1705 0.2028 ( 6613 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.3131 -3.3123 -3.1132 -3.1123 -1.7971 -1.7968 -1.1497 -1.1495 0.7298 0.7304 1.7189 1.7193 2.3987 2.3994 3.1936 3.1942 3.8991 3.8991 4.5043 4.5059 4.8235 4.8242 5.6075 5.6122 5.7911 5.8036 5.9986 6.0066 6.7517 6.7580 6.9370 6.9556 7.0920 7.1059 7.7139 7.7155 7.9274 7.9306 8.2870 8.2916 8.6354 8.6430 8.7307 8.7396 11.5400 11.5446 11.9619 11.9840 12.1229 12.1570 12.2721 12.2825 12.4723 12.4745 k = 0.5000 0.1752 0.2085 ( 6610 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.2903 -3.2903 -3.1354 -3.1354 -1.7979 -1.7979 -1.1497 -1.1497 0.7290 0.7290 1.7186 1.7186 2.4026 2.4026 3.1914 3.1914 3.8976 3.8976 4.5223 4.5223 4.8042 4.8042 5.6149 5.6149 5.7961 5.7961 6.0006 6.0006 6.7629 6.7629 6.9783 6.9783 7.0608 7.0608 7.7159 7.7159 7.9276 7.9276 8.2928 8.2928 8.6365 8.6365 8.7350 8.7350 11.5458 11.5458 12.0188 12.0188 12.1151 12.1151 12.2633 12.2633 12.4737 12.4737 k = 0.5000-0.2890 0.1850 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.1197 -3.1197 -2.8053 -2.8053 -2.2828 -2.2828 -1.3438 -1.3438 0.7118 0.7118 1.3612 1.3612 2.4552 2.4552 2.9226 2.9226 4.3833 4.3833 4.4440 4.4440 5.2848 5.2848 5.6600 5.6600 5.8747 5.8747 6.3034 6.3034 6.9580 6.9580 7.1725 7.1725 7.2027 7.2027 7.5778 7.5778 7.8364 7.8364 8.2028 8.2028 8.3074 8.3074 8.9228 8.9228 11.6260 11.6260 11.9764 11.9764 12.4161 12.4161 12.4999 12.4999 12.6421 12.6421 k = 0.4872-0.2816 0.1803 ( 6618 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.1343 -3.1337 -2.7922 -2.7916 -2.2808 -2.2805 -1.3438 -1.3435 0.7128 0.7138 1.3620 1.3628 2.4526 2.4533 2.9225 2.9228 4.3313 4.3363 4.4941 4.4985 5.2794 5.2818 5.6589 5.6622 5.8751 5.8767 6.3022 6.3043 6.9335 6.9408 7.1621 7.1712 7.2151 7.2293 7.5776 7.5854 7.8340 7.8389 8.1973 8.2043 8.3092 8.3165 8.9203 8.9217 11.6206 11.6252 11.9785 11.9811 12.3972 12.4011 12.4969 12.5017 12.6428 12.6448 k = 0.4744-0.2742 0.1756 ( 6616 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.1716 -3.1706 -2.7581 -2.7571 -2.2743 -2.2737 -1.3434 -1.3430 0.7166 0.7188 1.3653 1.3669 2.4455 2.4467 2.9226 2.9232 4.2643 4.2697 4.5690 4.5735 5.2661 5.2706 5.6591 5.6651 5.8776 5.8808 6.3007 6.3048 6.8834 6.8933 7.1467 7.1555 7.2557 7.2753 7.5842 7.5988 7.8328 7.8424 8.1902 8.2022 8.3214 8.3338 8.9143 8.9171 11.6098 11.6185 11.9858 11.9908 12.3496 12.3547 12.4934 12.5001 12.6466 12.6512 k = 0.4615-0.2668 0.1708 ( 6615 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.2220 -3.2208 -2.7130 -2.7119 -2.2631 -2.2623 -1.3427 -1.3421 0.7234 0.7266 1.3711 1.3735 2.4336 2.4355 2.9232 2.9241 4.2012 4.2068 4.6444 4.6488 5.2460 5.2521 5.6608 5.6684 5.8821 5.8868 6.2989 6.3048 6.8243 6.8343 7.1244 7.1331 7.3006 7.3235 7.5944 7.6142 7.8359 7.8497 8.1841 8.1994 8.3412 8.3568 8.9050 8.9091 11.5957 11.6079 11.9930 12.0004 12.2827 12.2888 12.4868 12.4951 12.6535 12.6614 k = 0.4487-0.2594 0.1661 ( 6614 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.2790 -3.2776 -2.6639 -2.6627 -2.2468 -2.2456 -1.3415 -1.3407 0.7329 0.7371 1.3793 1.3825 2.4168 2.4193 2.9245 2.9257 4.1444 4.1502 4.7157 4.7203 5.2211 5.2282 5.6641 5.6719 5.8883 5.8948 6.2966 6.3041 6.7643 6.7734 7.0975 7.1061 7.3381 7.3629 7.6053 7.6280 7.8474 7.8648 8.1806 8.1987 8.3657 8.3835 8.8928 8.8981 11.5803 11.5954 11.9882 11.9984 12.2133 12.2219 12.4761 12.4860 12.6644 12.6755 k = 0.4359-0.2519 0.1613 ( 6623 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.3392 -3.3378 -2.6147 -2.6137 -2.2249 -2.2234 -1.3397 -1.3388 0.7448 0.7501 1.3900 1.3940 2.3950 2.3979 2.9270 2.9285 4.0949 4.1008 4.7785 4.7838 5.1942 5.2018 5.6684 5.6754 5.8964 5.9049 6.2938 6.3024 6.7071 6.7153 7.0682 7.0766 7.3610 7.3858 7.6154 7.6384 7.8702 7.8905 8.1804 8.2018 8.3932 8.4129 8.8781 8.8845 11.5653 11.5828 11.9515 11.9636 12.1687 12.1799 12.4613 12.4722 12.6790 12.6930 k = 0.4231-0.2445 0.1566 ( 6622 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4009 -3.3996 -2.5679 -2.5670 -2.1970 -2.1953 -1.3372 -1.3361 0.7591 0.7653 1.4030 1.4077 2.3680 2.3714 2.9311 2.9329 4.0534 4.0592 4.8271 4.8338 5.1695 5.1773 5.6726 5.6780 5.9073 5.9181 6.2901 6.2994 6.6549 6.6626 7.0379 7.0459 7.3655 7.3884 7.6251 7.6463 7.9037 7.9264 8.1840 8.2095 8.4221 8.4440 8.8615 8.8689 11.5517 11.5716 11.8786 11.8904 12.1596 12.1716 12.4434 12.4547 12.6963 12.7127 k = 0.4103-0.2371 0.1518 ( 6624 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4632 -3.4618 -2.5247 -2.5241 -2.1632 -2.1612 -1.3337 -1.3325 0.7752 0.7823 1.4183 1.4238 2.3360 2.3399 2.9373 2.9394 4.0200 4.0258 4.8545 4.8630 5.1528 5.1607 5.6748 5.6786 5.9226 5.9352 6.2853 6.2947 6.6095 6.6170 7.0076 7.0150 7.3521 7.3722 7.6347 7.6525 7.9449 7.9696 8.1913 8.2216 8.4514 8.4758 8.8437 8.8520 11.5402 11.5623 11.7894 11.8011 12.1683 12.1812 12.4236 12.4346 12.7142 12.7324 k = 0.3974-0.2297 0.1471 ( 6625 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.5252 -3.5239 -2.4856 -2.4853 -2.1238 -2.1215 -1.3291 -1.3278 0.7930 0.8009 1.4359 1.4421 2.2995 2.3037 2.9460 2.9483 3.9948 4.0005 4.8561 4.8660 5.1486 5.1565 5.6728 5.6757 5.9437 5.9571 6.2792 6.2884 6.5720 6.5797 6.9778 6.9842 7.3247 7.3417 7.6428 7.6571 7.9894 8.0158 8.2020 8.2371 8.4798 8.5070 8.8258 8.8348 11.5305 11.5550 11.7000 11.7125 12.1818 12.1965 12.4036 12.4140 12.7305 12.7498 k = 0.3846-0.2223 0.1423 ( 6624 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.5867 -3.5854 -2.4505 -2.4504 -2.0799 -2.0773 -1.3230 -1.3216 0.8119 0.8206 1.4556 1.4625 2.2590 2.2635 2.9576 2.9602 3.9774 3.9830 4.8342 4.8445 5.1549 5.1624 5.6650 5.6675 5.9702 5.9832 6.2728 6.2814 6.5429 6.5509 6.9480 6.9533 7.2883 7.3028 7.6486 7.6596 8.0336 8.0615 8.2150 8.2546 8.5061 8.5365 8.8089 8.8184 11.5205 11.5463 11.6219 11.6346 12.1941 12.2114 12.3857 12.3954 12.7428 12.7627 k = 0.3718-0.2149 0.1376 ( 6620 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.6474 -3.6461 -2.4187 -2.4184 -2.0329 -2.0300 -1.3152 -1.3137 0.8316 0.8409 1.4774 1.4848 2.2154 2.2202 2.9723 2.9751 3.9673 3.9728 4.7964 4.8065 5.1647 5.1719 5.6509 5.6530 5.9992 6.0103 6.2681 6.2762 6.5221 6.5301 6.9175 6.9219 7.2481 7.2607 7.6516 7.6602 8.0739 8.1029 8.2294 8.2721 8.5293 8.5630 8.7943 8.8044 11.5018 11.5166 11.5780 11.5816 12.2015 12.2219 12.3726 12.3822 12.7492 12.7689 k = 0.3590-0.2075 0.1329 ( 6617 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7069 -3.7057 -2.3893 -2.3888 -1.9842 -1.9811 -1.3054 -1.3038 0.8515 0.8614 1.5009 1.5089 2.1699 2.1749 2.9902 2.9934 3.9641 3.9694 4.7496 4.7591 5.1727 5.1797 5.6305 5.6322 6.0246 6.0334 6.2686 6.2763 6.5079 6.5160 6.8847 6.8889 7.2093 7.2204 7.6523 7.6595 8.1073 8.1365 8.2445 8.2877 8.5495 8.5859 8.7834 8.7941 11.4650 11.4673 11.5599 11.5759 12.2014 12.2242 12.3675 12.3776 12.7478 12.7667 k = 0.3462-0.2001 0.1281 ( 6613 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7652 -3.7640 -2.3615 -2.3607 -1.9353 -1.9320 -1.2933 -1.2916 0.8711 0.8815 1.5261 1.5344 2.1235 2.1287 3.0116 3.0150 3.9668 3.9720 4.6982 4.7072 5.1766 5.1833 5.6042 5.6060 6.0399 6.0470 6.2771 6.2850 6.4980 6.5064 6.8489 6.8537 7.1763 7.1867 7.6515 7.6584 8.1300 8.1577 8.2607 8.3003 8.5677 8.6059 8.7770 8.7882 11.4220 11.4308 11.5598 11.5836 12.1932 12.2168 12.3719 12.3823 12.7372 12.7543 k = 0.3333-0.1927 0.1234 ( 6609 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8220 -3.8209 -2.3345 -2.3334 -1.8875 -1.8840 -1.2787 -1.2769 0.8900 0.9007 1.5526 1.5612 2.0776 2.0830 3.0365 3.0400 3.9749 3.9799 4.6450 4.6535 5.1757 5.1821 5.5726 5.5751 6.0426 6.0493 6.2927 6.3015 6.4887 6.4979 6.8104 6.8166 7.1524 7.1636 7.6502 7.6577 8.1378 8.1623 8.2784 8.3103 8.5864 8.6249 8.7749 8.7867 11.3917 11.4057 11.5683 11.5974 12.1790 12.2020 12.3832 12.3937 12.7158 12.7303 k = 0.3205-0.1853 0.1186 ( 6612 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8774 -3.8763 -2.3078 -2.3066 -1.8418 -1.8382 -1.2613 -1.2593 0.9075 0.9183 1.5802 1.5889 2.0336 2.0391 3.0647 3.0685 3.9876 3.9925 4.5921 4.6001 5.1703 5.1763 5.5367 5.5403 6.0353 6.0418 6.3105 6.3209 6.4754 6.4855 6.7725 6.7802 7.1394 7.1529 7.6495 7.6586 8.1273 8.1486 8.2972 8.3200 8.6073 8.6450 8.7764 8.7891 11.3744 11.3933 11.5824 11.6164 12.1616 12.1833 12.3968 12.4079 12.6833 12.6947 k = 0.3077-0.1778 0.1139 ( 6611 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9311 -3.9301 -2.2812 -2.2797 -1.7991 -1.7954 -1.2411 -1.2391 0.9231 0.9339 1.6084 1.6170 1.9927 1.9984 3.0963 3.1002 4.0042 4.0090 4.5411 4.5487 5.1605 5.1666 5.4972 5.5024 6.0217 6.0277 6.3260 6.3380 6.4527 6.4630 6.7396 6.7487 7.1372 7.1535 7.6508 7.6621 8.0983 8.1175 8.3155 8.3307 8.6309 8.6669 8.7812 8.7951 11.3679 11.3918 11.6012 11.6401 12.1432 12.1634 12.4066 12.4191 12.6419 12.6515 k = 0.2949-0.1704 0.1091 ( 6613 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9831 -3.9821 -2.2542 -2.2526 -1.7599 -1.7561 -1.2184 -1.2162 0.9362 0.9469 1.6367 1.6450 1.9565 1.9622 3.1312 3.1352 4.0240 4.0288 4.4932 4.5004 5.1466 5.1533 5.4549 5.4622 6.0043 6.0095 6.3369 6.3501 6.4168 6.4269 6.7150 6.7247 7.1431 7.1622 7.6555 7.6697 8.0540 8.0716 8.3323 8.3421 8.6558 8.6893 8.7902 8.8053 11.3685 11.3974 11.6238 11.6676 12.1253 12.1437 12.4034 12.4169 12.6023 12.6130 k = 0.2821-0.1630 0.1044 ( 6615 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0333 -4.0323 -2.2267 -2.2249 -1.7245 -1.7206 -1.1935 -1.1911 0.9464 0.9568 1.6647 1.6722 1.9263 1.9319 3.1690 3.1731 4.0463 4.0511 4.4497 4.4567 5.1286 5.1367 5.4108 5.4206 5.9836 5.9886 6.3411 6.3562 6.3701 6.3805 6.6973 6.7069 7.1529 7.1740 7.6653 7.6824 7.9980 8.0145 8.3474 8.3537 8.6798 8.7095 8.8053 8.8207 11.3719 11.4054 11.6487 11.6967 12.1083 12.1249 12.3783 12.3899 12.5838 12.5947 k = 0.2692-0.1556 0.0996 ( 6612 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0816 -4.0807 -2.1986 -2.1967 -1.6928 -1.6889 -1.1671 -1.1646 0.9533 0.9633 1.6914 1.6977 1.9035 1.9088 3.2095 3.2136 4.0705 4.0754 4.4118 4.4186 5.1064 5.1166 5.3660 5.3785 5.9594 5.9651 6.3097 6.3201 6.3504 6.3615 6.6829 6.6919 7.1614 7.1839 7.6813 7.7011 7.9340 7.9499 8.3607 8.3652 8.7014 8.7257 8.8279 8.8422 11.3730 11.4100 11.6730 11.7237 12.0919 12.1063 12.3396 12.3478 12.5900 12.5988 k = 0.2564-0.1482 0.0949 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1280 -4.1272 -2.1698 -2.1677 -1.6646 -1.6608 -1.1399 -1.1373 0.9568 0.9663 1.7161 1.7206 1.8894 1.8944 3.2524 3.2564 4.0959 4.1009 4.3805 4.3873 5.0796 5.0922 5.3219 5.3372 5.9310 5.9381 6.2532 6.2644 6.3474 6.3600 6.6682 6.6773 7.1641 7.1872 7.7029 7.7242 7.8655 7.8823 8.3725 8.3770 8.7200 8.7386 8.8569 8.8692 11.3668 11.4057 11.6937 11.7447 12.0739 12.0860 12.3090 12.3162 12.6099 12.6168 k = 0.2436-0.1408 0.0901 ( 6616 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1724 -4.1716 -2.1402 -2.1380 -1.6396 -1.6358 -1.1131 -1.1103 0.9569 0.9658 1.7372 1.7404 1.8846 1.8898 3.2971 3.3009 4.1219 4.1271 4.3568 4.3638 5.0475 5.0623 5.2801 5.2976 5.8974 5.9062 6.1982 6.2106 6.3427 6.3559 6.6513 6.6617 7.1587 7.1818 7.7213 7.7435 7.7981 7.8249 8.3834 8.3891 8.7363 8.7502 8.8897 8.9003 11.3490 11.3873 11.7098 11.7580 12.0533 12.0631 12.3010 12.3089 12.6380 12.6437 k = 0.2308-0.1334 0.0854 ( 6618 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.2148 -4.2141 -2.1099 -2.1075 -1.6173 -1.6136 -1.0875 -1.0845 0.9540 0.9623 1.7539 1.7579 1.8891 1.8952 3.3431 3.3468 4.1480 4.1534 4.3418 4.3491 5.0097 5.0259 5.2422 5.2610 5.8581 5.8681 6.1485 6.1621 6.3355 6.3494 6.6317 6.6444 7.1451 7.1675 7.6908 7.7126 7.7810 7.8190 8.3941 8.4014 8.7512 8.7619 8.9242 8.9334 11.3176 11.3534 11.7241 11.7666 12.0319 12.0402 12.3143 12.3236 12.6745 12.6797 k = 0.2179-0.1260 0.0807 ( 6611 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.2552 -4.2545 -2.0787 -2.0763 -1.5972 -1.5937 -1.0640 -1.0610 0.9486 0.9562 1.7675 1.7736 1.9014 1.9088 3.3900 3.3934 4.1736 4.1792 4.3361 4.3437 4.9657 4.9821 5.2093 5.2279 5.8134 5.8240 6.1051 6.1198 6.3263 6.3408 6.6099 6.6252 7.1245 7.1460 7.6230 7.6407 7.8091 7.8451 8.4047 8.4136 8.7654 8.7747 8.9584 8.9668 11.2752 11.3072 11.7398 11.7757 12.0128 12.0202 12.3378 12.3484 12.7227 12.7273 k = 0.2051-0.1186 0.0759 ( 6613 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.2934 -4.2927 -2.0468 -2.0442 -1.5791 -1.5757 -1.0437 -1.0405 0.9414 0.9482 1.7807 1.7884 1.9198 1.9281 3.4371 3.4402 4.1987 4.2043 4.3401 4.3480 4.9156 4.9312 5.1815 5.1986 5.7650 5.7754 6.0664 6.0823 6.3156 6.3306 6.5867 6.6047 7.0994 7.1197 7.5488 7.5657 7.8383 7.8739 8.4149 8.4252 8.7790 8.7885 8.9910 8.9989 11.2279 11.2562 11.7587 11.7883 11.9973 12.0037 12.3608 12.3721 12.7850 12.7885 k = 0.1923-0.1112 0.0712 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3294 -4.3288 -2.0142 -2.0115 -1.5626 -1.5594 -1.0270 -1.0237 0.9330 0.9392 1.7949 1.8034 1.9423 1.9508 3.4842 3.4868 4.2230 4.2285 4.3536 4.3616 4.8602 4.8743 5.1579 5.1725 5.7149 5.7249 6.0297 6.0467 6.3045 6.3198 6.5633 6.5837 7.0721 7.0909 7.4735 7.4904 7.8636 7.8991 8.4239 8.4353 8.7923 8.8028 9.0205 9.0284 11.1831 11.2083 11.7803 11.8047 11.9858 11.9909 12.3772 12.3889 12.8596 12.8618 k = 0.1795-0.1037 0.0664 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3633 -4.3627 -1.9809 -1.9781 -1.5475 -1.5443 -1.0145 -1.0111 0.9241 0.9297 1.8103 1.8192 1.9674 1.9758 3.5309 3.5331 4.2465 4.2516 4.3761 4.3842 4.8006 4.8129 5.1375 5.1492 5.6654 5.6746 5.9918 6.0096 6.2941 6.3097 6.5410 6.5636 7.0445 7.0616 7.3983 7.4153 7.8828 7.9182 8.4306 8.4429 8.8051 8.8168 9.0461 9.0544 11.1471 11.1699 11.8030 11.8235 11.9778 11.9838 12.3861 12.3981 12.9373 12.9406 k = 0.1667-0.0963 0.0617 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3950 -4.3944 -1.9470 -1.9442 -1.5336 -1.5305 -1.0066 -1.0031 0.9154 0.9203 1.8270 1.8357 1.9947 2.0026 3.5772 3.5791 4.2684 4.2731 4.4069 4.4150 4.7379 4.7486 5.1192 5.1280 5.6178 5.6263 5.9503 5.9686 6.2860 6.3018 6.5211 6.5456 7.0179 7.0331 7.3239 7.3409 7.8947 7.9298 8.4339 8.4467 8.8171 8.8299 9.0675 9.0762 11.1245 11.1457 11.8237 11.8426 11.9741 11.9850 12.3888 12.4012 12.9990 13.0044 k = 0.1538-0.0889 0.0569 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4244 -4.4239 -1.9127 -1.9097 -1.5208 -1.5178 -1.0032 -0.9996 0.9071 0.9114 1.8443 1.8526 2.0238 2.0309 3.6234 3.6251 4.2876 4.2919 4.4451 4.4530 4.6739 4.6836 5.1024 5.1082 5.5729 5.5808 5.9043 5.9225 6.2813 6.2971 6.5048 6.5310 6.9927 7.0056 7.2512 7.2677 7.8985 7.9329 8.4329 8.4459 8.8281 8.8417 9.0850 9.0939 11.1178 11.1379 11.8388 11.8588 11.9784 11.9962 12.3872 12.4001 13.0215 13.0259 k = 0.1410-0.0815 0.0522 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4515 -4.4511 -1.8779 -1.8749 -1.5091 -1.5060 -1.0044 -1.0008 0.8995 0.9033 1.8616 1.8692 2.0546 2.0610 3.6696 3.6713 4.3029 4.3067 4.4879 4.4956 4.6114 4.6217 5.0864 5.0897 5.5307 5.5381 5.8544 5.8722 6.2803 6.2962 6.4927 6.5204 6.9683 6.9787 7.1819 7.1970 7.8932 7.9266 8.4274 8.4403 8.8381 8.8519 9.0992 9.1080 11.1276 11.1469 11.8466 11.8681 11.9948 12.0182 12.3831 12.3965 13.0193 13.0232 k = 0.1282-0.0741 0.0474 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4764 -4.4760 -1.8430 -1.8399 -1.4985 -1.4954 -1.0098 -1.0062 0.8928 0.8961 1.8781 1.8849 2.0871 2.0926 3.7161 3.7181 4.3127 4.3158 4.5165 4.5235 4.5685 4.5843 5.0711 5.0722 5.4907 5.4978 5.8028 5.8201 6.2824 6.2985 6.4853 6.5145 6.9418 6.9511 7.1190 7.1313 7.8779 7.9097 8.4178 8.4305 8.8470 8.8606 9.1112 9.1196 11.1526 11.1715 11.8484 11.8699 12.0234 12.0498 12.3778 12.3915 13.0087 13.0134 k = 0.1154-0.0667 0.0427 ( 6610 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4989 -4.4986 -1.8080 -1.8049 -1.4891 -1.4858 -1.0191 -1.0154 0.8870 0.8899 1.8935 1.8994 2.1211 2.1257 3.7630 3.7654 4.3143 4.3167 4.4840 4.4854 4.6024 4.6149 5.0553 5.0573 5.4523 5.4589 5.7527 5.7694 6.2867 6.3026 6.4830 6.5132 6.9079 6.9213 7.0669 7.0755 7.8519 7.8816 8.4057 8.4178 8.8552 8.8680 9.1217 9.1295 11.1901 11.2087 11.8464 11.8666 12.0609 12.0888 12.3726 12.3867 12.9960 13.0013 k = 0.1026-0.0593 0.0380 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.5192 -4.5188 -1.7733 -1.7701 -1.4809 -1.4775 -1.0315 -1.0279 0.8820 0.8845 1.9074 1.9124 2.1561 2.1598 3.8098 3.8127 4.3026 4.3050 4.4447 4.4475 4.6503 4.6617 5.0406 5.0446 5.4153 5.4215 5.7072 5.7232 6.2919 6.3070 6.4853 6.5157 6.8650 6.8855 7.0282 7.0359 7.8149 7.8419 8.3926 8.4038 8.8629 8.8746 9.1314 9.1383 11.2366 11.2551 11.8423 11.8608 12.1041 12.1328 12.3692 12.3835 12.9834 12.9890 k = 0.0897-0.0519 0.0332 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5370 -4.5368 -1.7391 -1.7358 -1.4742 -1.4706 -1.0464 -1.0429 0.8778 0.8799 1.9195 1.9237 2.1912 2.1943 3.8553 3.8590 4.2759 4.2791 4.4222 4.4257 4.6927 4.7032 5.0287 5.0347 5.3810 5.3869 5.6682 5.6836 6.2970 6.3104 6.4904 6.5196 6.8183 6.8441 7.0036 7.0128 7.7673 7.7913 8.3802 8.3902 8.8701 8.8805 9.1405 9.1465 11.2883 11.3066 11.8373 11.8539 12.1499 12.1785 12.3705 12.3846 12.9717 12.9774 k = 0.0769-0.0445 0.0285 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5525 -4.5523 -1.7059 -1.7025 -1.4690 -1.4653 -1.0629 -1.0595 0.8743 0.8761 1.9300 1.9334 2.2257 2.2281 3.8971 3.9018 4.2428 4.2474 4.4132 4.4169 4.7221 4.7314 5.0210 5.0290 5.3529 5.3587 5.6364 5.6513 6.3013 6.3122 6.4941 6.5199 6.7772 6.8048 6.9913 7.0011 7.7109 7.7316 8.3696 8.3782 8.8768 8.8858 9.1490 9.1540 11.3415 11.3592 11.8319 11.8466 12.1936 12.2204 12.3816 12.3944 12.9613 12.9668 k = 0.0641-0.0371 0.0237 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5657 -4.5655 -1.6741 -1.6708 -1.4656 -1.4618 -1.0800 -1.0768 0.8715 0.8729 1.9386 1.9414 2.2582 2.2602 3.9307 3.9362 4.2162 4.2225 4.4108 4.4148 4.7328 4.7407 5.0182 5.0275 5.3359 5.3415 5.6109 5.6253 6.3047 6.3125 6.4903 6.5098 6.7512 6.7771 6.9885 6.9980 7.6482 7.6657 8.3612 8.3682 8.8830 8.8905 9.1567 9.1608 11.3925 11.4091 11.8266 11.8394 12.2286 12.2500 12.4094 12.4195 12.9523 12.9576 k = 0.0513-0.0296 0.0190 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5765 -4.5763 -1.6446 -1.6413 -1.4641 -1.4602 -1.0964 -1.0936 0.8692 0.8703 1.9457 1.9478 2.2876 2.2891 3.9504 3.9563 4.2065 4.2141 4.4113 4.4161 4.7235 4.7305 5.0186 5.0279 5.3338 5.3389 5.5903 5.6041 6.3071 6.3118 6.4753 6.4870 6.7438 6.7657 6.9935 7.0024 7.5826 7.5970 8.3549 8.3604 8.8884 8.8944 9.1634 9.1665 11.4385 11.4534 11.8216 11.8325 12.2504 12.2649 12.4544 12.4638 12.9450 12.9499 k = 0.0385-0.0222 0.0142 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5848 -4.5847 -1.6183 -1.6152 -1.4643 -1.4607 -1.1111 -1.1088 0.8674 0.8682 1.9511 1.9527 2.3124 2.3135 3.9551 3.9602 4.2164 4.2240 4.4139 4.4197 4.6991 4.7054 5.0194 5.0272 5.3451 5.3497 5.5733 5.5860 6.3088 6.3108 6.4516 6.4576 6.7499 6.7669 7.0058 7.0135 7.5188 7.5302 8.3505 8.3546 8.8930 8.8975 9.1689 9.1712 11.4773 11.4895 11.8175 11.8261 12.2612 12.2702 12.5096 12.5198 12.9394 12.9437 k = 0.0256-0.0148 0.0095 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5908 -4.5907 -1.5966 -1.5941 -1.4658 -1.4628 -1.1226 -1.1209 0.8662 0.8667 1.9550 1.9561 2.3313 2.3321 3.9507 3.9542 4.2376 4.2440 4.4189 4.4250 4.6683 4.6737 5.0196 5.0250 5.3635 5.3680 5.5597 5.5702 6.3094 6.3104 6.4266 6.4305 6.7609 6.7727 7.0232 7.0291 7.4629 7.4711 8.3478 8.3505 8.8966 8.8996 9.1730 9.1746 11.5070 11.5158 11.8146 11.8207 12.2660 12.2713 12.5657 12.5751 12.9356 12.9391 k = 0.0128-0.0074 0.0047 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5944 -4.5944 -1.5816 -1.5801 -1.4674 -1.4657 -1.1298 -1.1290 0.8655 0.8658 1.9575 1.9580 2.3433 2.3436 3.9451 3.9468 4.2577 4.2615 4.4259 4.4302 4.6421 4.6456 5.0197 5.0224 5.3810 5.3841 5.5509 5.5572 6.3094 6.3105 6.4087 6.4113 6.7708 6.7768 7.0405 7.0437 7.4234 7.4278 8.3466 8.3479 8.8991 8.9006 9.1757 9.1765 11.5263 11.5310 11.8133 11.8165 12.2683 12.2708 12.6105 12.6163 12.9339 12.9360 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k =-0.0135-0.0047 0.0060 ( 6600 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5945 -4.5944 -1.5784 -1.5776 -1.4671 -1.4663 -1.1331 -1.1329 0.8672 0.8676 1.9568 1.9571 2.3444 2.3448 3.9427 3.9434 4.2500 4.2527 4.4463 4.4487 4.6286 4.6300 5.0242 5.0257 5.3895 5.3924 5.5377 5.5441 6.3031 6.3084 6.4177 6.4249 6.7775 6.7814 7.0507 7.0524 7.4108 7.4116 8.3448 8.3457 8.8974 8.9000 9.1740 9.1761 11.5321 11.5345 11.8056 11.8067 12.2619 12.2668 12.6294 12.6320 12.9321 12.9366 k =-0.0270-0.0095 0.0121 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5910 -4.5909 -1.5853 -1.5840 -1.4651 -1.4636 -1.1360 -1.1356 0.8729 0.8738 1.9521 1.9527 2.3356 2.3364 3.9416 3.9431 4.2139 4.2179 4.4817 4.4851 4.6192 4.6224 5.0358 5.0389 5.3902 5.3968 5.5125 5.5255 6.2969 6.3037 6.4599 6.4708 6.7849 6.7928 7.0576 7.0610 7.4139 7.4154 8.3403 8.3419 8.8911 8.8963 9.1675 9.1716 11.5272 11.5319 11.7827 11.7848 12.2446 12.2534 12.6300 12.6348 12.9296 12.9378 k =-0.0405-0.0142 0.0181 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5853 -4.5851 -1.5957 -1.5940 -1.4622 -1.4603 -1.1408 -1.1401 0.8825 0.8838 1.9447 1.9455 2.3212 2.3222 3.9401 3.9425 4.1720 4.1765 4.5165 4.5204 4.6121 4.6178 5.0523 5.0568 5.3837 5.3926 5.4911 5.5089 6.2965 6.3031 6.5156 6.5292 6.7994 6.8115 7.0699 7.0745 7.4193 7.4216 8.3330 8.3354 8.8816 8.8894 9.1576 9.1637 11.5191 11.5260 11.7479 11.7507 12.2196 12.2309 12.6313 12.6380 12.9239 12.9345 k =-0.0541-0.0189 0.0241 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5773 -4.5771 -1.6088 -1.6069 -1.4595 -1.4573 -1.1473 -1.1464 0.8960 0.8976 1.9349 1.9360 2.3012 2.3025 3.9383 3.9416 4.1294 4.1345 4.5265 4.5303 4.6280 4.6349 5.0686 5.0747 5.3620 5.3687 5.4947 5.5108 6.3023 6.3083 6.5751 6.5913 6.8231 6.8391 7.0876 7.0932 7.4275 7.4306 8.3230 8.3261 8.8690 8.8794 9.1445 9.1524 11.5061 11.5150 11.7052 11.7087 12.1891 12.2018 12.6329 12.6409 12.9118 12.9232 k =-0.0676-0.0237 0.0302 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5670 -4.5667 -1.6239 -1.6220 -1.4575 -1.4552 -1.1555 -1.1544 0.9131 0.9150 1.9232 1.9245 2.2759 2.2775 3.9359 3.9402 4.0885 4.0941 4.5079 4.5116 4.6686 4.6748 5.0772 5.0848 5.3344 5.3416 5.5199 5.5321 6.3136 6.3189 6.6310 6.6494 6.8582 6.8769 7.1111 7.1168 7.4388 7.4429 8.3103 8.3140 8.8536 8.8665 9.1284 9.1381 11.4857 11.4962 11.6603 11.6647 12.1550 12.1683 12.6336 12.6425 12.8906 12.9014 k =-0.0811-0.0284 0.0362 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5544 -4.5541 -1.6406 -1.6387 -1.4570 -1.4547 -1.1652 -1.1639 0.9337 0.9359 1.9099 1.9114 2.2457 2.2474 3.9323 3.9378 4.0507 4.0571 4.4754 4.4798 4.7160 4.7217 5.0701 5.0779 5.3216 5.3312 5.5565 5.5657 6.3299 6.3345 6.6791 6.6980 6.9053 6.9246 7.1403 7.1454 7.4539 7.4592 8.2950 8.2992 8.8359 8.8512 9.1098 9.1210 11.4543 11.4659 11.6191 11.6257 12.1191 12.1326 12.6324 12.6419 12.8585 12.8680 k =-0.0946-0.0331 0.0422 ( 6586 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5395 -4.5392 -1.6584 -1.6567 -1.4585 -1.4563 -1.1761 -1.1746 0.9575 0.9600 1.8955 1.8973 2.2112 2.2131 3.9255 3.9322 4.0184 4.0254 4.4350 4.4403 4.7627 4.7680 5.0471 5.0535 5.3333 5.3436 5.6002 5.6072 6.3509 6.3550 6.7192 6.7370 6.9602 6.9783 7.1748 7.1788 7.4739 7.4805 8.2773 8.2817 8.8162 8.8340 9.0890 9.1015 11.4104 11.4235 11.5854 11.5956 12.0827 12.0962 12.6277 12.6378 12.8145 12.8234 k =-0.1081-0.0379 0.0483 ( 6579 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5224 -4.5220 -1.6772 -1.6756 -1.4624 -1.4605 -1.1879 -1.1861 0.9843 0.9869 1.8804 1.8824 2.1732 2.1752 3.9126 3.9194 3.9952 4.0019 4.3881 4.3941 4.8042 4.8091 5.0188 5.0238 5.3639 5.3741 5.6484 5.6536 6.3765 6.3803 6.7534 6.7696 7.0161 7.0333 7.2134 7.2161 7.4997 7.5081 8.2576 8.2619 8.7953 8.8154 9.0662 9.0798 11.3579 11.3727 11.5587 11.5727 12.0465 12.0601 12.6169 12.6287 12.7600 12.7691 k =-0.1216-0.0426 0.0543 ( 6582 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5031 -4.5026 -1.6967 -1.6954 -1.4694 -1.4677 -1.2002 -1.1982 1.0136 1.0163 1.8647 1.8671 2.1326 2.1350 3.8918 3.8973 3.9831 3.9880 4.3351 4.3416 4.8334 4.8384 5.0000 5.0044 5.4061 5.4164 5.6991 5.7030 6.4066 6.4103 6.7841 6.7987 7.0680 7.0854 7.2536 7.2560 7.5321 7.5429 8.2362 8.2403 8.7737 8.7960 9.0417 9.0562 11.3028 11.3193 11.5359 11.5533 12.0113 12.0246 12.5967 12.6124 12.6993 12.7097 k =-0.1351-0.0474 0.0603 ( 6585 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4815 -4.4810 -1.7168 -1.7157 -1.4798 -1.4783 -1.2126 -1.2103 1.0449 1.0477 1.8486 1.8514 2.0909 2.0936 3.8650 3.8690 3.9783 3.9811 4.2769 4.2835 4.8423 4.8475 5.0041 5.0085 5.4558 5.4660 5.7503 5.7536 6.4408 6.4448 6.8129 6.8263 7.1141 7.1321 7.2920 7.2968 7.5710 7.5846 8.2141 8.2175 8.7523 8.7767 9.0159 9.0309 11.2501 11.2680 11.5144 11.5347 11.9769 11.9900 12.5623 12.5835 12.6412 12.6537 k =-0.1486-0.0521 0.0664 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4893 -31.4198 -31.4198 -4.4578 -4.4572 -1.7375 -1.7367 -1.4940 -1.4927 -1.2246 -1.2220 1.0776 1.0803 1.8319 1.8354 2.0494 2.0527 3.8351 3.8382 3.9761 3.9777 4.2148 4.2212 4.8343 4.8395 5.0307 5.0349 5.5104 5.5208 5.8006 5.8041 6.4790 6.4834 6.8407 6.8533 7.1546 7.1721 7.3277 7.3369 7.6145 7.6311 8.1922 8.1947 8.7316 8.7582 8.9889 9.0044 11.2033 11.2225 11.4925 11.5154 11.9430 11.9558 12.5127 12.5353 12.5965 12.6078 k =-0.1622-0.0568 0.0724 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4318 -4.4313 -1.7588 -1.7582 -1.5122 -1.5110 -1.2358 -1.2329 1.1108 1.1133 1.8144 1.8187 2.0101 2.0141 3.8037 3.8064 3.9735 3.9750 4.1512 4.1570 4.8209 4.8259 5.0690 5.0727 5.5686 5.5791 5.8489 5.8530 6.5204 6.5255 6.8680 6.8800 7.1894 7.2050 7.3609 7.3761 7.6594 7.6786 8.1712 8.1738 8.7126 8.7414 8.9612 8.9770 11.1651 11.1854 11.4695 11.4948 11.9094 11.9218 12.4562 12.4774 12.5601 12.5688 k =-0.1757-0.0616 0.0784 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4038 -4.4032 -1.7809 -1.7802 -1.5345 -1.5333 -1.2460 -1.2428 1.1433 1.1457 1.7960 1.8010 1.9748 1.9796 3.7708 3.7735 3.9676 3.9703 4.0901 4.0948 4.8088 4.8135 5.1122 5.1154 5.6290 5.6397 5.8944 5.8992 6.5641 6.5699 6.8949 6.9067 7.2181 7.2306 7.3932 7.4153 7.7018 7.7231 8.1523 8.1570 8.6957 8.7269 8.9331 8.9493 11.1374 11.1586 11.4450 11.4725 11.8757 11.8878 12.4019 12.4221 12.5242 12.5319 k =-0.1892-0.0663 0.0845 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3736 -4.3730 -1.8038 -1.8029 -1.5603 -1.5590 -1.2550 -1.2515 1.1738 1.1760 1.7767 1.7824 1.9455 1.9511 3.7360 3.7388 3.9522 3.9570 4.0402 4.0427 4.8001 4.8046 5.1574 5.1604 5.6906 5.7013 5.9367 5.9419 6.6091 6.6156 6.9215 6.9334 7.2402 7.2491 7.4258 7.4549 7.7384 7.7611 8.1376 8.1452 8.6814 8.7153 8.9051 8.9221 11.1213 11.1433 11.4188 11.4482 11.8421 11.8541 12.3547 12.3740 12.4875 12.4951 k =-0.2027-0.0710 0.0905 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3414 -4.3407 -1.8280 -1.8267 -1.5893 -1.5878 -1.2629 -1.2592 1.2004 1.2024 1.7577 1.7638 1.9234 1.9294 3.6977 3.7007 3.9188 3.9253 4.0124 4.0139 4.7953 4.7996 5.2036 5.2064 5.7521 5.7626 5.9754 5.9808 6.6538 6.6608 6.9477 6.9600 7.2551 7.2611 7.4593 7.4948 7.7677 7.7909 8.1284 8.1392 8.6700 8.7071 8.8777 8.8961 11.1173 11.1399 11.3911 11.4219 11.8099 11.8218 12.3164 12.3349 12.4504 12.4581 k =-0.2162-0.0758 0.0965 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4198 -31.4198 -4.3072 -4.3064 -1.8537 -1.8519 -1.6206 -1.6187 -1.2699 -1.2659 1.2208 1.2228 1.7410 1.7472 1.9089 1.9149 3.6545 3.6574 3.8755 3.8818 4.0018 4.0040 4.7943 4.7984 5.2501 5.2528 5.8120 5.8222 6.0106 6.0155 6.6970 6.7041 6.9737 6.9866 7.2627 7.2678 7.4934 7.5340 7.7901 7.8129 8.1252 8.1388 8.6614 8.7023 8.8517 8.8723 11.1244 11.1475 11.3630 11.3944 11.7811 11.7927 12.2871 12.3046 12.4135 12.4213 k =-0.2297-0.0805 0.1026 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.2709 -4.2701 -1.8815 -1.8794 -1.6530 -1.6508 -1.2760 -1.2718 1.2328 1.2352 1.7291 1.7350 1.9016 1.9072 3.6054 3.6079 3.8351 3.8406 3.9982 4.0009 4.7970 4.8009 5.2965 5.2993 5.8685 5.8781 6.0422 6.0462 6.7370 6.7436 6.9998 7.0133 7.2635 7.2701 7.5270 7.5713 7.8079 7.8292 8.1271 8.1429 8.6551 8.7003 8.8280 8.8520 11.1397 11.1628 11.3375 11.3678 11.7581 11.7688 12.2659 12.2821 12.3776 12.3851 k =-0.2432-0.0852 0.1086 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.2328 -4.2319 -1.9122 -1.9097 -1.6853 -1.6828 -1.2815 -1.2771 1.2350 1.2381 1.7238 1.7291 1.9012 1.9061 3.5506 3.5527 3.8016 3.8062 3.9978 4.0009 4.8030 4.8068 5.3424 5.3453 5.9191 5.9276 6.0712 6.0737 6.7724 6.7779 7.0263 7.0403 7.2595 7.2686 7.5594 7.6053 7.8237 7.8432 8.1330 8.1506 8.6502 8.7001 8.8078 8.8360 11.1556 11.1765 11.3236 11.3486 11.7427 11.7522 12.2510 12.2656 12.3437 12.3506 k =-0.2568-0.0900 0.1146 ( 6609 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1928 -4.1919 -1.9466 -1.9437 -1.7164 -1.7136 -1.2865 -1.2820 1.2275 1.2312 1.7248 1.7294 1.9077 1.9115 3.4921 3.4937 3.7749 3.7789 3.9997 4.0031 4.8122 4.8158 5.3872 5.3902 5.9604 5.9671 6.0983 6.1006 6.8019 6.8056 7.0529 7.0673 7.2530 7.2646 7.5897 7.6347 7.8398 7.8581 8.1419 8.1613 8.6458 8.6999 8.7926 8.8251 11.1575 11.1742 11.3353 11.3501 11.7364 11.7442 12.2398 12.2529 12.3133 12.3198 k =-0.2703-0.0947 0.1207 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1509 -4.1500 -1.9851 -1.9821 -1.7452 -1.7422 -1.2911 -1.2865 1.2116 1.2156 1.7304 1.7343 1.9212 1.9239 3.4318 3.4331 3.7536 3.7572 4.0039 4.0077 4.8243 4.8278 5.4303 5.4335 5.9884 5.9932 6.1252 6.1299 6.8235 6.8259 7.0785 7.0932 7.2480 7.2612 7.6175 7.6592 7.8567 7.8762 8.1535 8.1749 8.6412 8.6978 8.7842 8.8198 11.1366 11.1532 11.3724 11.3819 11.7390 11.7458 12.2276 12.2414 12.2877 12.2976 k =-0.2838-0.0994 0.1267 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.1074 -4.1064 -2.0282 -2.0251 -1.7710 -1.7680 -1.2955 -1.2908 1.1893 1.1936 1.7380 1.7413 1.9415 1.9432 3.3716 3.3729 3.7364 3.7398 4.0109 4.0148 4.8393 4.8426 5.4708 5.4741 6.0010 6.0045 6.1541 6.1609 6.8351 6.8382 7.1010 7.1147 7.2506 7.2633 7.6429 7.6794 7.8738 7.8977 8.1676 8.1917 8.6363 8.6927 8.7834 8.8195 11.1023 11.1200 11.4243 11.4357 11.7494 11.7566 12.2113 12.2284 12.2716 12.2870 k =-0.2973-0.1042 0.1327 ( 6610 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0622 -4.0612 -2.0755 -2.0725 -1.7936 -1.7907 -1.2996 -1.2950 1.1629 1.1673 1.7454 1.7485 1.9679 1.9694 3.3128 3.3143 3.7222 3.7256 4.0209 4.0251 4.8570 4.8602 5.5072 5.5107 6.0002 6.0028 6.1835 6.1915 6.8354 6.8398 7.1189 7.1288 7.2669 7.2761 7.6661 7.6965 7.8905 7.9208 8.1843 8.2115 8.6319 8.6854 8.7894 8.8233 11.0630 11.0813 11.4853 11.4988 11.7650 11.7742 12.1951 12.2138 12.2673 12.2851 k =-0.3108-0.1089 0.1388 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -4.0154 -4.0144 -2.1266 -2.1238 -1.8131 -1.8104 -1.3036 -1.2990 1.1343 1.1387 1.7517 1.7548 1.9990 2.0009 3.2565 3.2582 3.7103 3.7138 4.0344 4.0388 4.8775 4.8804 5.5376 5.5413 5.9900 5.9924 6.2108 6.2192 6.8233 6.8287 7.1332 7.1385 7.2956 7.3025 7.6876 7.7119 7.9060 7.9433 8.2037 8.2340 8.6286 8.6779 8.8001 8.8305 11.0226 11.0410 11.5504 11.5650 11.7819 11.7937 12.1858 12.2048 12.2707 12.2891 k =-0.3243-0.1136 0.1448 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9673 -3.9663 -2.1810 -2.1783 -1.8300 -1.8274 -1.3075 -1.3029 1.1049 1.1093 1.7565 1.7597 2.0334 2.0360 3.2034 3.2054 3.7002 3.7038 4.0519 4.0564 4.9005 4.9031 5.5591 5.5629 5.9755 5.9781 6.2334 6.2421 6.7990 6.8050 7.1465 7.1508 7.3310 7.3411 7.7073 7.7263 7.9199 7.9637 8.2252 8.2583 8.6275 8.6718 8.8143 8.8402 10.9826 11.0011 11.6158 11.6300 11.7953 11.8093 12.1883 12.2069 12.2805 12.2988 k =-0.3378-0.1184 0.1509 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.9179 -3.9169 -2.2378 -2.2353 -1.8445 -1.8422 -1.3112 -1.3067 1.0758 1.0800 1.7601 1.7633 2.0695 2.0727 3.1541 3.1564 3.6914 3.6950 4.0737 4.0783 4.9260 4.9283 5.5679 5.5718 5.9623 5.9653 6.2495 6.2584 6.7655 6.7718 7.1616 7.1676 7.3708 7.3857 7.7248 7.7402 7.9321 7.9812 8.2478 8.2830 8.6294 8.6685 8.8309 8.8518 10.9441 10.9626 11.6756 11.6867 11.8054 11.8199 12.2023 12.2194 12.2994 12.3164 k =-0.3514-0.1231 0.1569 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8674 -3.8663 -2.2965 -2.2943 -1.8570 -1.8549 -1.3148 -1.3105 1.0478 1.0518 1.7627 1.7658 2.1059 2.1095 3.1091 3.1116 3.6837 3.6874 4.0999 4.1046 4.9539 4.9558 5.5608 5.5648 5.9556 5.9588 6.2570 6.2663 6.7274 6.7340 7.1796 7.1870 7.4130 7.4323 7.7394 7.7535 7.9434 7.9962 8.2701 8.3065 8.6348 8.6692 8.8495 8.8650 10.9077 10.9261 11.7142 11.7165 11.8274 11.8403 12.2214 12.2360 12.3314 12.3455 k =-0.3649-0.1278 0.1629 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8160 -3.8150 -2.3564 -2.3544 -1.8678 -1.8658 -1.3182 -1.3141 1.0214 1.0252 1.7644 1.7674 2.1412 2.1451 3.0686 3.0713 3.6770 3.6806 4.1307 4.1354 4.9835 4.9852 5.5368 5.5410 5.9578 5.9609 6.2539 6.2638 6.6900 6.6970 7.1995 7.2076 7.4555 7.4782 7.7506 7.7655 7.9549 8.0094 8.2904 8.3275 8.6438 8.6754 8.8696 8.8799 10.8735 10.8919 11.7091 11.7149 11.8733 11.8868 12.2406 12.2530 12.3750 12.3862 k =-0.3784-0.1326 0.1690 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7641 -3.7630 -2.4170 -2.4150 -1.8770 -1.8752 -1.3215 -1.3176 0.9969 1.0005 1.7654 1.7683 2.1745 2.1785 3.0328 3.0357 3.6710 3.6745 4.1662 4.1709 5.0141 5.0159 5.4984 5.5036 5.9673 5.9704 6.2388 6.2493 6.6583 6.6657 7.2200 7.2281 7.4962 7.5213 7.7591 7.7750 7.9677 8.0216 8.3073 8.3446 8.6562 8.6878 8.8902 8.8967 10.8419 10.8600 11.6824 11.6907 11.9283 11.9419 12.2631 12.2737 12.4228 12.4320 k =-0.3919-0.1373 0.1750 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7120 -3.7109 -2.4774 -2.4756 -1.8848 -1.8833 -1.3246 -1.3210 0.9747 0.9780 1.7659 1.7686 2.2049 2.2089 3.0020 3.0049 3.6657 3.6690 4.2061 4.2108 5.0440 5.0465 5.4511 5.4578 5.9804 5.9834 6.2122 6.2230 6.6352 6.6427 7.2400 7.2477 7.5334 7.5597 7.7655 7.7815 7.9827 8.0336 8.3200 8.3571 8.6719 8.7058 8.9098 8.9166 10.8130 10.8305 11.6477 11.6562 11.9767 11.9894 12.2963 12.3046 12.4686 12.4763 k =-0.4054-0.1421 0.1810 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.6601 -3.6591 -2.5370 -2.5353 -1.8915 -1.8902 -1.3273 -1.3241 0.9550 0.9579 1.7661 1.7684 2.2318 2.2357 2.9761 2.9789 3.6611 3.6642 4.2502 4.2548 5.0700 5.0739 5.4015 5.4102 5.9914 5.9946 6.1782 6.1890 6.6212 6.6285 7.2586 7.2656 7.5655 7.5917 7.7706 7.7855 8.0000 8.0458 8.3285 8.3649 8.6909 8.7274 8.9290 8.9387 10.7869 10.8035 11.6098 11.6178 12.0097 12.0208 12.3450 12.3502 12.5100 12.5163 k =-0.4189-0.1468 0.1871 ( 6589 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.6093 -3.6083 -2.5949 -2.5934 -1.8971 -1.8959 -1.3298 -1.3270 0.9378 0.9403 1.7659 1.7680 2.2548 2.2586 2.9549 2.9576 3.6572 3.6599 4.2980 4.3025 5.0859 5.0916 5.3592 5.3701 5.9924 5.9958 6.1462 6.1561 6.6146 6.6214 7.2755 7.2816 7.5915 7.6159 7.7754 7.7885 8.0189 8.0582 8.3335 8.3683 8.7123 8.7500 8.9487 8.9612 10.7637 10.7791 11.5715 11.5786 12.0263 12.0359 12.4040 12.4078 12.5495 12.5538 k =-0.4324-0.1515 0.1931 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.5604 -3.5595 -2.6499 -2.6486 -1.9016 -1.9006 -1.3320 -1.3296 0.9232 0.9253 1.7656 1.7674 2.2740 2.2773 2.9382 2.9406 3.6539 3.6563 4.3486 4.3529 5.0824 5.0889 5.3368 5.3488 5.9738 5.9773 6.1284 6.1360 6.6130 6.6191 7.2902 7.2952 7.6105 7.6320 7.7806 7.7923 8.0381 8.0703 8.3360 8.3680 8.7347 8.7713 8.9690 8.9828 10.7437 10.7575 11.5351 11.5410 12.0310 12.0394 12.4591 12.4650 12.5945 12.5970 k =-0.4459-0.1563 0.1991 ( 6583 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.5149 -3.5140 -2.7006 -2.6995 -1.9052 -1.9044 -1.3338 -1.3318 0.9112 0.9130 1.7653 1.7667 2.2892 2.2921 2.9255 2.9276 3.6513 3.6532 4.4008 4.4047 5.0553 5.0608 5.3411 5.3520 5.9356 5.9396 6.1267 6.1318 6.6144 6.6195 7.3025 7.3065 7.6228 7.6406 7.7866 7.7974 8.0564 8.0815 8.3372 8.3650 8.7565 8.7893 8.9891 9.0026 10.7271 10.7388 11.5023 11.5070 12.0294 12.0365 12.4982 12.5051 12.6518 12.6543 k =-0.4595-0.1610 0.2052 ( 6577 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4746 -3.4739 -2.7449 -2.7440 -1.9079 -1.9073 -1.3351 -1.3336 0.9020 0.9033 1.7649 1.7660 2.3008 2.3030 2.9164 2.9181 3.6493 3.6508 4.4522 4.4557 5.0130 5.0169 5.3637 5.3723 5.8896 5.8937 6.1323 6.1357 6.6171 6.6211 7.3123 7.3153 7.6300 7.6435 7.7934 7.8027 8.0725 8.0908 8.3378 8.3603 8.7762 8.8029 9.0077 9.0193 10.7142 10.7234 11.4749 11.4783 12.0252 12.0308 12.5211 12.5272 12.7161 12.7185 k =-0.4730-0.1657 0.2112 ( 6573 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4423 -3.4417 -2.7801 -2.7794 -1.9098 -1.9094 -1.3361 -1.3350 0.8955 0.8964 1.7647 1.7654 2.3089 2.3104 2.9105 2.9116 3.6479 3.6490 4.4990 4.5018 4.9682 4.9707 5.3921 5.3982 5.8465 5.8500 6.1391 6.1411 6.6199 6.6228 7.3195 7.3215 7.6339 7.6430 7.7999 7.8069 8.0856 8.0976 8.3390 8.3548 8.7926 8.8113 9.0233 9.0317 10.7051 10.7115 11.4543 11.4565 12.0211 12.0250 12.5341 12.5384 12.7733 12.7753 k =-0.4865-0.1705 0.2172 ( 6575 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4210 -3.4207 -2.8030 -2.8026 -1.9109 -1.9107 -1.3365 -1.3360 0.8917 0.8921 1.7646 1.7649 2.3138 2.3146 2.9072 2.9078 3.6472 3.6478 4.5342 4.5358 4.9332 4.9344 5.4159 5.4192 5.8155 5.8176 6.1441 6.1450 6.6223 6.6237 7.3240 7.3250 7.6364 7.6409 7.8052 7.8090 8.0950 8.1009 8.3411 8.3493 8.8048 8.8144 9.0343 9.0387 10.7003 10.7036 11.4416 11.4427 12.0185 12.0205 12.5412 12.5434 12.8122 12.8134 k =-0.5000-0.1752 0.2233 ( 6570 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.4134 -3.4134 -2.8109 -2.8109 -1.9112 -1.9112 -1.3365 -1.3365 0.8905 0.8905 1.7647 1.7647 2.3157 2.3157 2.9064 2.9064 3.6472 3.6472 4.5484 4.5484 4.9200 4.9200 5.4263 5.4263 5.8047 5.8047 6.1462 6.1462 6.6236 6.6236 7.3259 7.3259 7.6386 7.6386 7.8084 7.8084 8.1001 8.1001 8.3446 8.3446 8.8121 8.8121 9.0396 9.0396 10.6998 10.6998 11.4377 11.4377 12.0182 12.0182 12.5442 12.5442 12.8263 12.8263 k =-0.5000-0.6394 0.1998 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0969 -3.0969 -2.4753 -2.4753 -2.2456 -2.2456 -1.9676 -1.9676 1.3012 1.3012 1.3668 1.3668 1.7391 1.7391 3.1500 3.1500 4.3497 4.3497 4.5507 4.5507 5.2165 5.2165 5.8159 5.8159 6.1603 6.1603 6.4636 6.4636 6.7057 6.7057 6.8559 6.8559 7.0350 7.0350 7.3266 7.3266 8.0430 8.0430 8.2216 8.2216 8.8376 8.8376 9.0651 9.0651 11.5161 11.5161 11.7319 11.7319 12.3022 12.3022 12.3490 12.3490 12.7454 12.7454 k =-0.4907-0.6275 0.1961 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0964 -3.0963 -2.4755 -2.4751 -2.2510 -2.2498 -1.9647 -1.9636 1.3012 1.3016 1.3697 1.3700 1.7380 1.7386 3.1509 3.1511 4.3430 4.3454 4.5557 4.5581 5.2190 5.2193 5.8105 5.8119 6.1461 6.1557 6.4664 6.4736 6.6926 6.6988 6.8552 6.8580 7.0338 7.0370 7.3399 7.3421 8.0422 8.0427 8.2200 8.2207 8.8358 8.8395 9.0640 9.0662 11.5119 11.5132 11.7272 11.7308 12.2450 12.2599 12.3927 12.4091 12.7453 12.7508 k =-0.4815-0.6157 0.1924 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0948 -3.0947 -2.4759 -2.4750 -2.2650 -2.2627 -1.9554 -1.9533 1.3016 1.3024 1.3783 1.3789 1.7357 1.7369 3.1536 3.1540 4.3279 4.3319 4.5717 4.5759 5.2266 5.2272 5.7959 5.7985 6.1178 6.1344 6.4796 6.4908 6.6644 6.6756 6.8510 6.8569 7.0399 7.0453 7.3774 7.3815 8.0402 8.0411 8.2163 8.2176 8.8340 8.8415 9.0631 9.0675 11.5010 11.5033 11.7169 11.7241 12.1831 12.1984 12.4579 12.4759 12.7519 12.7627 k =-0.4722-0.6039 0.1887 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0921 -3.0919 -2.4773 -2.4759 -2.2849 -2.2819 -1.9414 -1.9386 1.3023 1.3037 1.3921 1.3930 1.7326 1.7345 3.1577 3.1583 4.3083 4.3132 4.5951 4.6002 5.2388 5.2398 5.7722 5.7758 6.0824 6.1031 6.4941 6.5052 6.6289 6.6449 6.8398 6.8484 7.0610 7.0662 7.4298 7.4357 8.0369 8.0381 8.2111 8.2130 8.8321 8.8433 9.0624 9.0689 11.4830 11.4859 11.7014 11.7123 12.1290 12.1447 12.5118 12.5301 12.7693 12.7842 k =-0.4630-0.5920 0.1850 ( 6609 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0884 -3.0882 -2.4811 -2.4793 -2.3073 -2.3039 -1.9242 -1.9211 1.3033 1.3053 1.4099 1.4111 1.7300 1.7326 3.1625 3.1634 4.2876 4.2928 4.6229 4.6283 5.2549 5.2561 5.7404 5.7444 6.0449 6.0677 6.4969 6.5043 6.5958 6.6176 6.8267 6.8372 7.0947 7.0983 7.4899 7.4975 8.0321 8.0337 8.2054 8.2080 8.8299 8.8449 9.0620 9.0705 11.4580 11.4612 11.6821 11.6966 12.0842 12.1005 12.5460 12.5621 12.8012 12.8174 k =-0.4537-0.5802 0.1813 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0839 -3.0836 -2.4898 -2.4877 -2.3279 -2.3244 -1.9054 -1.9020 1.3044 1.3072 1.4304 1.4319 1.7295 1.7329 3.1671 3.1682 4.2684 4.2735 4.6530 4.6583 5.2736 5.2751 5.7019 5.7059 6.0078 6.0312 6.4738 6.4800 6.5770 6.6018 6.8181 6.8297 7.1347 7.1364 7.5530 7.5625 8.0257 8.0281 8.2003 8.2038 8.8273 8.8461 9.0621 9.0724 11.4263 11.4298 11.6612 11.6789 12.0474 12.0643 12.5588 12.5711 12.8430 12.8580 k =-0.4444-0.5683 0.1776 ( 6609 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0787 -3.0784 -2.5064 -2.5041 -2.3425 -2.3393 -1.8857 -1.8822 1.3054 1.3089 1.4515 1.4535 1.7333 1.7375 3.1706 3.1719 4.2525 4.2573 4.6840 4.6891 5.2936 5.2951 5.6593 5.6629 5.9715 5.9946 6.4310 6.4379 6.5686 6.5919 6.8172 6.8288 7.1744 7.1773 7.6160 7.6276 8.0187 8.0223 8.1968 8.2014 8.8242 8.8470 9.0626 9.0746 11.3891 11.3932 11.6408 11.6610 12.0160 12.0333 12.5543 12.5630 12.8843 12.8970 k =-0.4352-0.5565 0.1739 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0732 -3.0728 -2.5323 -2.5298 -2.3486 -2.3458 -1.8656 -1.8622 1.3058 1.3101 1.4711 1.4735 1.7438 1.7489 3.1719 3.1734 4.2413 4.2458 4.7150 4.7196 5.3124 5.3141 5.6158 5.6189 5.9356 5.9579 6.3820 6.3892 6.5605 6.5807 6.8232 6.8345 7.2100 7.2158 7.6767 7.6904 8.0127 8.0178 8.1953 8.2014 8.8208 8.8477 9.0636 9.0772 11.3487 11.3535 11.6221 11.6442 11.9867 12.0044 12.5376 12.5435 12.9176 12.9277 k =-0.4259-0.5447 0.1702 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4200 -31.4200 -3.0678 -3.0674 -2.5659 -2.5633 -2.3469 -2.3444 -1.8456 -1.8422 1.3053 1.3104 1.4875 1.4903 1.7632 1.7690 3.1702 3.1720 4.2360 4.2400 4.7447 4.7489 5.3269 5.3291 5.5753 5.5785 5.8993 5.9206 6.3330 6.3403 6.5502 6.5672 6.8339 6.8446 7.2383 7.2470 7.7331 7.7491 8.0104 8.0170 8.1959 8.2038 8.8174 8.8483 9.0650 9.0799 11.3073 11.3129 11.6057 11.6290 11.9570 11.9747 12.5124 12.5165 12.9415 12.9491 k =-0.4167-0.5328 0.1665 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.0632 -3.0628 -2.6042 -2.6014 -2.3392 -2.3369 -1.8257 -1.8224 1.3036 1.3094 1.5001 1.5033 1.7920 1.7983 3.1649 3.1669 4.2374 4.2410 4.7719 4.7756 5.3328 5.3363 5.5422 5.5467 5.8624 5.8826 6.2872 6.2944 6.5387 6.5528 6.8468 6.8571 7.2561 7.2674 7.7842 7.8023 8.0142 8.0219 8.1984 8.2084 8.8141 8.8492 9.0664 9.0826 11.2674 11.2736 11.5917 11.6155 11.9248 11.9425 12.4814 12.4846 12.9580 12.9637 k =-0.4074-0.5210 0.1628 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.0605 -3.0600 -2.6439 -2.6411 -2.3273 -2.3250 -1.8061 -1.8029 1.3002 1.3066 1.5100 1.5133 1.8292 1.8359 3.1558 3.1581 4.2462 4.2493 4.7949 4.7980 5.3267 5.3320 5.5205 5.5268 5.8257 5.8448 6.2462 6.2532 6.5278 6.5393 6.8601 6.8701 7.2609 7.2744 7.8295 7.8494 8.0254 8.0336 8.2025 8.2147 8.8115 8.8506 9.0677 9.0849 11.2305 11.2373 11.5798 11.6034 11.8895 11.9069 12.4469 12.4498 12.9699 12.9743 k =-0.3981-0.5091 0.1591 ( 6589 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.0612 -3.0608 -2.6820 -2.6792 -2.3122 -2.3097 -1.7867 -1.7838 1.2951 1.3020 1.5186 1.5220 1.8727 1.8797 3.1433 3.1457 4.2623 4.2650 4.8118 4.8144 5.3101 5.3164 5.5091 5.5164 5.7913 5.8093 6.2106 6.2175 6.5189 6.5281 6.8725 6.8826 7.2522 7.2673 7.8695 7.8909 8.0428 8.0510 8.2079 8.2225 8.8099 8.8529 9.0682 9.0865 11.1979 11.2051 11.5698 11.5924 11.8515 11.8683 12.4102 12.4133 12.9790 12.9830 k =-0.3889-0.4973 0.1554 ( 6585 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.0676 -3.0672 -2.7155 -2.7128 -2.2945 -2.2918 -1.7678 -1.7650 1.2885 1.2957 1.5275 1.5307 1.9201 1.9273 3.1279 3.1304 4.2857 4.2880 4.8208 4.8228 5.2883 5.2948 5.5011 5.5083 5.7627 5.7794 6.1805 6.1873 6.5135 6.5205 6.8831 6.8936 7.2309 7.2475 7.9051 7.9278 8.0630 8.0715 8.2147 8.2317 8.8093 8.8558 9.0677 9.0869 11.1703 11.1777 11.5612 11.5818 11.8124 11.8279 12.3727 12.3760 12.9861 12.9905 k =-0.3796-0.4855 0.1517 ( 6586 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.0819 -3.0816 -2.7412 -2.7387 -2.2746 -2.2718 -1.7492 -1.7466 1.2807 1.2880 1.5375 1.5406 1.9691 1.9765 3.1108 3.1133 4.3159 4.3180 4.8205 4.8219 5.2657 5.2718 5.4891 5.4957 5.7436 5.7589 6.1558 6.1624 6.5126 6.5176 6.8903 6.9017 7.2000 7.2180 7.9362 7.9603 8.0828 8.0919 8.2235 8.2424 8.8097 8.8591 9.0656 9.0855 11.1480 11.1552 11.5536 11.5707 11.7750 11.7883 12.3349 12.3387 12.9913 12.9964 k =-0.3704-0.4736 0.1480 ( 6586 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.1061 -3.1058 -2.7569 -2.7547 -2.2527 -2.2498 -1.7310 -1.7286 1.2722 1.2796 1.5491 1.5519 2.0174 2.0250 3.0936 3.0961 4.3522 4.3541 4.8105 4.8118 5.2434 5.2488 5.4697 5.4757 5.7354 5.7490 6.1368 6.1429 6.5167 6.5200 6.8923 6.9054 7.1634 7.1831 7.9618 7.9875 8.0997 8.1104 8.2345 8.2550 8.8104 8.8622 9.0613 9.0818 11.1307 11.1374 11.5463 11.5581 11.7427 11.7525 12.2976 12.3019 12.9933 12.9994 k =-0.3611-0.4618 0.1443 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.1402 -3.1397 -2.7621 -2.7602 -2.2292 -2.2261 -1.7133 -1.7110 1.2637 1.2711 1.5623 1.5649 2.0627 2.0705 3.0780 3.0803 4.3936 4.3954 4.7922 4.7935 5.2200 5.2245 5.4449 5.4506 5.7356 5.7473 6.1242 6.1295 6.5256 6.5279 6.8862 6.9015 7.1268 7.1484 7.9802 8.0068 8.1139 8.1269 8.2477 8.2699 8.8106 8.8641 9.0543 9.0753 11.1182 11.1240 11.5384 11.5430 11.7183 11.7242 12.2610 12.2658 12.9894 12.9967 k =-0.3519-0.4499 0.1406 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.1826 -3.1820 -2.7580 -2.7564 -2.2041 -2.2009 -1.6960 -1.6939 1.2558 1.2631 1.5772 1.5796 2.1029 2.1108 3.0660 3.0682 4.4388 4.4407 4.7682 4.7694 5.1930 5.1967 5.4188 5.4246 5.7390 5.7487 6.1198 6.1238 6.5385 6.5411 6.8690 6.8859 7.0968 7.1195 7.9898 8.0155 8.1268 8.1421 8.2623 8.2869 8.8092 8.8638 9.0442 9.0654 11.1097 11.1145 11.5256 11.5292 11.7018 11.7079 12.2253 12.2308 12.9753 12.9836 k =-0.3426-0.4381 0.1369 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.2312 -3.2304 -2.7464 -2.7451 -2.1776 -2.1743 -1.6793 -1.6774 1.2491 1.2563 1.5934 1.5957 2.1359 2.1438 3.0597 3.0615 4.4855 4.4874 4.7418 4.7426 5.1605 5.1643 5.3947 5.4008 5.7399 5.7478 6.1255 6.1282 6.5539 6.5578 6.8393 6.8562 7.0784 7.1004 7.9903 8.0131 8.1389 8.1565 8.2774 8.3055 8.8050 8.8600 9.0307 9.0518 11.1045 11.1085 11.5079 11.5188 11.6940 11.7038 12.1906 12.1971 12.9455 12.9543 k =-0.3333-0.4263 0.1332 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.2841 -3.2831 -2.7292 -2.7280 -2.1499 -2.1464 -1.6631 -1.6614 1.2440 1.2512 1.6106 1.6129 2.1598 2.1677 3.0606 3.0623 4.5285 4.5308 4.7183 4.7195 5.1232 5.1281 5.3736 5.3803 5.7340 5.7412 6.1424 6.1446 6.5687 6.5747 6.8011 6.8167 7.0714 7.0912 7.9826 8.0015 8.1490 8.1692 8.2926 8.3251 8.7971 8.8519 9.0136 9.0342 11.1017 11.1057 11.4918 11.5084 11.6959 11.7082 12.1570 12.1648 12.8976 12.9060 k =-0.3241-0.4144 0.1295 ( 6582 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.3396 -3.3386 -2.7074 -2.7064 -2.1210 -2.1175 -1.6476 -1.6460 1.2409 1.2480 1.6287 1.6312 2.1735 2.1813 3.0699 3.0716 4.5556 4.5593 4.7082 4.7125 5.0840 5.0903 5.3551 5.3624 5.7197 5.7271 6.1699 6.1727 6.5764 6.5851 6.7637 6.7784 7.0718 7.0890 7.9685 7.9837 8.1551 8.1784 8.3079 8.3449 8.7847 8.8388 8.9933 9.0128 11.1009 11.1058 11.4783 11.4991 11.7056 11.7187 12.1248 12.1343 12.8362 12.8434 k =-0.3148-0.4026 0.1258 ( 6580 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.3968 -3.3957 -2.6822 -2.6812 -2.0911 -2.0875 -1.6327 -1.6313 1.2403 1.2473 1.6474 1.6501 2.1766 2.1843 3.0878 3.0897 4.5530 4.5584 4.7249 4.7326 5.0468 5.0549 5.3384 5.3462 5.6979 5.7058 6.2060 6.2097 6.5660 6.5769 6.7420 6.7563 7.0759 7.0909 7.9500 7.9620 8.1559 8.1821 8.3237 8.3646 8.7677 8.8202 8.9702 8.9883 11.1017 11.1083 11.4672 11.4912 11.7203 11.7332 12.0948 12.1064 12.7687 12.7750 k =-0.3056-0.3907 0.1221 ( 6574 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.4549 -3.4538 -2.6539 -2.6530 -2.0603 -2.0567 -1.6184 -1.6172 1.2422 1.2492 1.6663 1.6694 2.1700 2.1774 3.1136 3.1160 4.5282 4.5340 4.7578 4.7682 5.0177 5.0279 5.3229 5.3311 5.6703 5.6789 6.2470 6.2514 6.5334 6.5439 6.7448 6.7581 7.0815 7.0946 7.9288 7.9384 8.1505 8.1787 8.3398 8.3835 8.7464 8.7965 8.9450 8.9615 11.1037 11.1123 11.4568 11.4839 11.7371 11.7496 12.0685 12.0823 12.7017 12.7073 k =-0.2963-0.3789 0.1184 ( 6574 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.5134 -3.5122 -2.6231 -2.6223 -2.0289 -2.0253 -1.6049 -1.6038 1.2469 1.2539 1.6853 1.6887 2.1548 2.1621 3.1461 3.1491 4.4935 4.4994 4.7853 4.7972 5.0066 5.0180 5.3089 5.3173 5.6393 5.6483 6.2864 6.2917 6.4901 6.4987 6.7636 6.7762 7.0868 7.0986 7.9064 7.9146 8.1381 8.1675 8.3560 8.4012 8.7217 8.7684 8.9182 8.9336 11.1062 11.1171 11.4448 11.4755 11.7523 11.7655 12.0483 12.0641 12.6397 12.6447 k =-0.2870-0.3671 0.1147 ( 6583 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.5717 -3.5705 -2.5900 -2.5892 -1.9968 -1.9932 -1.5920 -1.5911 1.2545 1.2615 1.7039 1.7077 2.1328 2.1400 3.1837 3.1872 4.4544 4.4603 4.7937 4.8048 5.0219 5.0318 5.2974 5.3055 5.6068 5.6162 6.3102 6.3176 6.4566 6.4620 6.7887 6.8013 7.0909 7.1017 7.8842 7.8919 8.1188 8.1484 8.3717 8.4168 8.6954 8.7376 8.8901 8.9058 11.1082 11.1215 11.4289 11.4637 11.7621 11.7776 12.0381 12.0546 12.5860 12.5901 k =-0.2778-0.3552 0.1110 ( 6583 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.6296 -3.6284 -2.5549 -2.5541 -1.9643 -1.9608 -1.5799 -1.5791 1.2649 1.2719 1.7218 1.7261 2.1060 2.1130 3.2246 3.2286 4.4131 4.4190 4.7843 4.7934 5.0558 5.0625 5.2910 5.2980 5.5752 5.5848 6.2966 6.3063 6.4570 6.4598 6.8151 6.8280 7.0934 7.1037 7.8632 7.8712 8.0927 8.1221 8.3860 8.4292 8.6698 8.7060 8.8615 8.8790 11.1085 11.1243 11.4079 11.4468 11.7630 11.7812 12.0418 12.0571 12.5427 12.5462 k =-0.2685-0.3434 0.1073 ( 6577 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.6868 -3.6856 -2.5180 -2.5172 -1.9317 -1.9282 -1.5684 -1.5678 1.2782 1.2852 1.7385 1.7432 2.0762 2.0831 3.2673 3.2717 4.3707 4.3767 4.7666 4.7742 5.0900 5.0930 5.2944 5.2987 5.5470 5.5570 6.2540 6.2642 6.4833 6.4862 6.8390 6.8524 7.0948 7.1051 7.8439 7.8527 8.0613 8.0901 8.3976 8.4365 8.6475 8.6756 8.8330 8.8536 11.1058 11.1240 11.3820 11.4244 11.7525 11.7729 12.0621 12.0744 12.5105 12.5148 k =-0.2593-0.3315 0.1036 ( 6579 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7432 -3.7420 -2.4793 -2.4785 -1.8989 -1.8956 -1.5575 -1.5570 1.2941 1.3011 1.7534 1.7584 2.0452 2.0518 3.3105 3.3153 4.3279 4.3341 4.7471 4.7540 5.1090 5.1103 5.3079 5.3131 5.5261 5.5369 6.2036 6.2137 6.5149 6.5182 6.8567 6.8705 7.0971 7.1076 7.8260 7.8362 8.0268 8.0546 8.4043 8.4363 8.6311 8.6493 8.8059 8.8300 11.0990 11.1191 11.3536 11.3980 11.7309 11.7523 12.0978 12.1068 12.4894 12.4958 k =-0.2500-0.3197 0.0999 ( 6582 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.7984 -3.7972 -2.4391 -2.4382 -1.8664 -1.8631 -1.5472 -1.5466 1.3123 1.3193 1.7656 1.7708 2.0149 2.0212 3.3531 3.3582 4.2856 4.2918 4.7289 4.7356 5.1079 5.1123 5.3239 5.3353 5.5184 5.5306 6.1544 6.1643 6.5431 6.5470 6.8645 6.8783 7.1029 7.1135 7.8084 7.8211 7.9924 8.0188 8.4028 8.4271 8.6190 8.6334 8.7810 8.8089 11.0870 11.1077 11.3264 11.3700 11.7016 11.7226 12.1450 12.1521 12.4781 12.4867 k =-0.2407-0.3079 0.0962 ( 6580 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4199 -3.8525 -3.8513 -2.3974 -2.3965 -1.8343 -1.8312 -1.5373 -1.5365 1.3324 1.3395 1.7740 1.7791 1.9875 1.9933 3.3943 3.3996 4.2444 4.2507 4.7131 4.7198 5.0950 5.1012 5.3329 5.3487 5.5293 5.5420 6.1104 6.1201 6.5646 6.5692 6.8603 6.8737 7.1134 7.1240 7.7899 7.8063 7.9616 7.9860 8.3891 8.4095 8.6079 8.6334 8.7591 8.7911 11.0694 11.0891 11.3036 11.3430 11.6691 11.6883 12.1989 12.2056 12.4744 12.4848 k =-0.2315-0.2960 0.0925 ( 6585 PWs) bands (ev): -62.4448 -62.4448 -34.8287 -34.8287 -31.4894 -31.4894 -31.4199 -31.4198 -3.9052 -3.9040 -2.3544 -2.3534 -1.8030 -1.7999 -1.5276 -1.5266 1.3539 1.3609 1.7771 1.7817 1.9655 1.9702 3.4335 3.4389 4.2050 4.2115 4.7000 4.7067 5.0760 5.0829 5.3313 5.3481 5.5543 5.5658 6.0750 6.0844 6.5768 6.5824 6.8454 6.8583 7.1272 7.1379 7.7708 7.7916 7.9366 7.9583 8.3623 8.3839 8.6035 8.6429 8.7408 8.7772 11.0464 11.0643 11.2866 11.3187 11.6379 11.6542 12.2542 12.2615 12.4758 12.4874 k =-0.2222-0.2842 0.0888 ( 6584 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.9564 -3.9553 -2.3102 -2.3090 -1.7727 -1.7696 -1.5180 -1.5166 1.3757 1.3826 1.7741 1.7776 1.9509 1.9541 3.4701 3.4755 4.1680 4.1747 4.6890 4.6958 5.0548 5.0617 5.3234 5.3396 5.5801 5.5900 6.0511 6.0600 6.5774 6.5844 6.8244 6.8366 7.1409 7.1521 7.7532 7.7779 7.9176 7.9359 8.3261 8.3496 8.6061 8.6577 8.7263 8.7682 11.0200 11.0362 11.2746 11.2981 11.6112 11.6243 12.3049 12.3131 12.4800 12.4921 k =-0.2130-0.2723 0.0851 ( 6582 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0061 -4.0050 -2.2649 -2.2636 -1.7437 -1.7407 -1.5081 -1.5063 1.3966 1.4033 1.7653 1.7674 1.9442 1.9459 3.5040 3.5094 4.1342 4.1410 4.6792 4.6860 5.0342 5.0407 5.3134 5.3286 5.5956 5.6049 6.0403 6.0484 6.5642 6.5729 6.8027 6.8139 7.1520 7.1643 7.7404 7.7678 7.9024 7.9172 8.2831 8.3077 8.6129 8.6753 8.7160 8.7645 10.9926 11.0083 11.2658 11.2818 11.5909 11.6021 12.3443 12.3533 12.4852 12.4970 k =-0.2037-0.2605 0.0814 ( 6586 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0541 -4.0531 -2.2186 -2.2172 -1.7166 -1.7135 -1.4977 -1.4954 1.4148 1.4211 1.7532 1.7546 1.9436 1.9448 3.5350 3.5402 4.1039 4.1108 4.6696 4.6761 5.0166 5.0225 5.3034 5.3176 5.5969 5.6064 6.0407 6.0476 6.5361 6.5467 6.7844 6.7943 7.1602 7.1741 7.7344 7.7632 7.8884 7.8998 8.2353 8.2597 8.6216 8.6916 8.7125 8.7665 10.9675 10.9834 11.2584 11.2711 11.5777 11.5898 12.3682 12.3775 12.4904 12.5013 k =-0.1944-0.2486 0.0777 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1004 -4.0994 -2.1715 -2.1700 -1.6917 -1.6884 -1.4863 -1.4835 1.4278 1.4335 1.7418 1.7435 1.9472 1.9493 3.5631 3.5682 4.0775 4.0846 4.6587 4.6649 5.0043 5.0093 5.2939 5.3074 5.5854 5.5955 6.0461 6.0519 6.4949 6.5074 6.7705 6.7789 7.1668 7.1828 7.7352 7.7646 7.8731 7.8822 8.1836 8.2077 8.6304 8.6956 8.7258 8.7742 10.9473 10.9636 11.2526 11.2667 11.5722 11.5872 12.3770 12.3863 12.4951 12.5054 k =-0.1852-0.2368 0.0740 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1450 -4.1440 -2.1239 -2.1222 -1.6693 -1.6658 -1.4736 -1.4704 1.4331 1.4380 1.7351 1.7376 1.9542 1.9571 3.5887 3.5936 4.0553 4.0625 4.6457 4.6514 4.9986 5.0028 5.2851 5.2979 5.5652 5.5761 6.0489 6.0539 6.4446 6.4589 6.7597 6.7670 7.1742 7.1924 7.7411 7.7708 7.8548 7.8638 8.1293 8.1531 8.6386 8.6944 8.7478 8.7870 10.9339 10.9503 11.2510 11.2680 11.5750 11.5931 12.3749 12.3841 12.4996 12.5095 k =-0.1759-0.2250 0.0703 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1876 -4.1867 -2.0758 -2.0739 -1.6497 -1.6459 -1.4595 -1.4558 1.4286 1.4326 1.7356 1.7388 1.9643 1.9676 3.6120 3.6167 4.0374 4.0446 4.6301 4.6351 5.0002 5.0037 5.2763 5.2887 5.5404 5.5520 6.0424 6.0473 6.3896 6.4054 6.7509 6.7575 7.1839 7.2042 7.7494 7.7795 7.8336 7.8443 8.0738 8.0977 8.6462 8.6942 8.7717 8.8039 10.9284 10.9447 11.2557 11.2749 11.5857 11.6064 12.3669 12.3757 12.5038 12.5137 k =-0.1667-0.2131 0.0666 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2284 -4.2275 -2.0275 -2.0254 -1.6330 -1.6290 -1.4436 -1.4397 1.4142 1.4176 1.7433 1.7471 1.9774 1.9807 3.6337 3.6381 4.0234 4.0306 4.6122 4.6166 5.0087 5.0117 5.2669 5.2789 5.5142 5.5265 6.0228 6.0280 6.3335 6.3505 6.7431 6.7495 7.1955 7.2176 7.7552 7.7867 7.8116 7.8249 8.0193 8.0439 8.6538 8.6958 8.7963 8.8237 10.9312 10.9473 11.2676 11.2880 11.6038 11.6262 12.3569 12.3652 12.5080 12.5177 k =-0.1574-0.2013 0.0629 ( 6600 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2672 -4.2663 -1.9792 -1.9770 -1.6190 -1.6148 -1.4262 -1.4220 1.3915 1.3943 1.7561 1.7602 1.9938 1.9969 3.6543 3.6583 4.0133 4.0204 4.5929 4.5967 5.0230 5.0257 5.2560 5.2674 5.4891 5.5017 5.9895 5.9954 6.2790 6.2966 6.7358 6.7427 7.2072 7.2306 7.7483 7.7816 7.7944 7.8130 7.9707 7.9963 8.6618 8.6992 8.8214 8.8456 10.9424 10.9582 11.2868 11.3076 11.6284 11.6520 12.3479 12.3554 12.5124 12.5217 k =-0.1481-0.1894 0.0592 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3040 -4.3032 -1.9314 -1.9289 -1.6075 -1.6032 -1.4075 -1.4032 1.3623 1.3649 1.7717 1.7757 2.0138 2.0165 3.6744 3.6781 4.0066 4.0135 4.5732 4.5765 5.0413 5.0439 5.2426 5.2534 5.4666 5.4792 5.9445 5.9510 6.2273 6.2452 6.7286 6.7365 7.2155 7.2397 7.7241 7.7575 7.7819 7.8032 7.9392 7.9636 8.6708 8.7047 8.8467 8.8689 10.9617 10.9771 11.3126 11.3332 11.6593 11.6834 12.3423 12.3488 12.5170 12.5259 k =-0.1389-0.1776 0.0555 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3387 -4.3379 -1.8842 -1.8815 -1.5980 -1.5938 -1.3877 -1.3834 1.3284 1.3308 1.7880 1.7918 2.0376 2.0396 3.6945 3.6979 4.0028 4.0096 4.5541 4.5571 5.0609 5.0635 5.2268 5.2366 5.4480 5.4599 5.8914 5.8984 6.1793 6.1970 6.7209 6.7301 7.2171 7.2416 7.6907 7.7254 7.7554 7.7764 7.9367 7.9564 8.6810 8.7121 8.8722 8.8932 10.9886 11.0038 11.3433 11.3636 11.6961 11.7201 12.3421 12.3476 12.5222 12.5306 k =-0.1296-0.1658 0.0518 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3714 -4.3706 -1.8381 -1.8352 -1.5902 -1.5860 -1.3671 -1.3630 1.2912 1.2935 1.8039 1.8074 2.0645 2.0661 3.7151 3.7182 4.0017 4.0083 4.5368 4.5396 5.0772 5.0798 5.2110 5.2195 5.4331 5.4441 5.8337 5.8414 6.1357 6.1530 6.7123 6.7229 7.2094 7.2337 7.6518 7.6849 7.7170 7.7360 7.9577 7.9736 8.6928 8.7217 8.8980 8.9181 11.0227 11.0376 11.3768 11.3969 11.7383 11.7620 12.3495 12.3541 12.5283 12.5360 k =-0.1204-0.1539 0.0481 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4019 -4.4012 -1.7936 -1.7905 -1.5836 -1.5794 -1.3462 -1.3421 1.2518 1.2539 1.8190 1.8222 2.0938 2.0952 3.7365 3.7394 4.0029 4.0092 4.5221 4.5247 5.0811 5.0833 5.2026 5.2094 5.4214 5.4312 5.7747 5.7829 6.0979 6.1146 6.7024 6.7144 7.1915 7.2155 7.6072 7.6331 7.6795 7.6921 7.9917 8.0060 8.7063 8.7332 8.9240 8.9434 11.0635 11.0782 11.4104 11.4307 11.7853 11.8084 12.3668 12.3705 12.5356 12.5426 k =-0.1111-0.1421 0.0444 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4303 -4.4296 -1.7512 -1.7480 -1.5777 -1.5737 -1.3250 -1.3210 1.2108 1.2128 1.8333 1.8364 2.1246 2.1261 3.7590 3.7616 4.0061 4.0120 4.5105 4.5131 5.0636 5.0652 5.2092 5.2142 5.4115 5.4202 5.7166 5.7256 6.0677 6.0834 6.6906 6.7042 7.1640 7.1878 7.5567 7.5743 7.6448 7.6506 8.0326 8.0464 8.7216 8.7467 8.9502 8.9689 11.1107 11.1251 11.4420 11.4626 11.8359 11.8582 12.3958 12.3990 12.5442 12.5508 k =-0.1019-0.1302 0.0407 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4565 -4.4559 -1.7116 -1.7083 -1.5722 -1.5682 -1.3036 -1.2997 1.1690 1.1709 1.8473 1.8500 2.1557 2.1575 3.7825 3.7849 4.0111 4.0168 4.5028 4.5054 5.0271 5.0288 5.2262 5.2300 5.4023 5.4102 5.6610 5.6712 6.0468 6.0612 6.6768 6.6919 7.1286 7.1525 7.5014 7.5127 7.6102 7.6143 8.0766 8.0902 8.7386 8.7619 8.9764 8.9944 11.1638 11.1779 11.4696 11.4905 11.8883 11.9098 12.4368 12.4412 12.5548 12.5616 k =-0.0926-0.1184 0.0370 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.4805 -4.4799 -1.6756 -1.6724 -1.5664 -1.5624 -1.2823 -1.2785 1.1272 1.1289 1.8610 1.8636 2.1863 2.1884 3.8068 3.8090 4.0182 4.0235 4.4994 4.5020 4.9789 4.9811 5.2448 5.2478 5.3935 5.4011 5.6097 5.6216 6.0365 6.0493 6.6607 6.6774 7.0876 7.1116 7.4433 7.4506 7.5761 7.5824 8.1207 8.1342 8.7572 8.7786 9.0025 9.0197 11.2223 11.2361 11.4924 11.5134 11.9408 11.9616 12.4867 12.4958 12.5691 12.5789 k =-0.0833-0.1066 0.0333 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5022 -4.5018 -1.6445 -1.6415 -1.5593 -1.5554 -1.2610 -1.2573 1.0859 1.0875 1.8746 1.8770 2.2155 2.2178 3.8314 3.8335 4.0277 4.0326 4.5005 4.5031 4.9235 4.9263 5.2572 5.2598 5.3864 5.3943 5.5648 5.5789 6.0371 6.0483 6.6422 6.6605 7.0430 7.0675 7.3840 7.3892 7.5446 7.5528 8.1630 8.1760 8.7769 8.7963 9.0283 9.0444 11.2853 11.2989 11.5104 11.5312 11.9920 12.0120 12.5316 12.5475 12.6008 12.6155 k =-0.0741-0.0947 0.0296 ( 6589 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5218 -4.5213 -1.6197 -1.6172 -1.5499 -1.5460 -1.2399 -1.2363 1.0461 1.0475 1.8882 1.8904 2.2426 2.2449 3.8554 3.8575 4.0401 4.0448 4.5063 4.5089 4.8636 4.8667 5.2560 5.2587 5.3839 5.3921 5.5296 5.5459 6.0482 6.0577 6.6211 6.6409 6.9971 7.0219 7.3252 7.3297 7.5161 7.5252 8.2018 8.2142 8.7971 8.8145 9.0535 9.0684 11.3516 11.3655 11.5241 11.5448 12.0411 12.0603 12.5578 12.5711 12.6707 12.6819 k =-0.0648-0.0829 0.0259 ( 6589 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5390 -4.5387 -1.6022 -1.6005 -1.5370 -1.5333 -1.2193 -1.2159 1.0083 1.0096 1.9016 1.9035 2.2671 2.2694 3.8777 3.8799 4.0566 4.0612 4.5166 4.5191 4.8009 4.8044 5.2375 5.2407 5.3865 5.3946 5.5075 5.5250 6.0686 6.0765 6.5974 6.6186 6.9517 6.9766 7.2685 7.2729 7.4907 7.5000 8.2362 8.2477 8.8172 8.8324 9.0777 9.0911 11.4183 11.4336 11.5355 11.5564 12.0875 12.1059 12.5734 12.5844 12.7548 12.7635 k =-0.0556-0.0710 0.0222 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5540 -4.5537 -1.5914 -1.5902 -1.5219 -1.5184 -1.1996 -1.1965 0.9735 0.9746 1.9144 1.9161 2.2885 2.2907 3.8972 3.8994 4.0781 4.0827 4.5311 4.5335 4.7369 4.7408 5.2055 5.2087 5.3904 5.3974 5.5001 5.5167 6.0968 6.1034 6.5711 6.5934 6.9086 6.9330 7.2154 7.2200 7.4686 7.4776 8.2659 8.2761 8.8364 8.8494 9.1005 9.1123 11.4779 11.4962 11.5512 11.5730 12.1307 12.1482 12.5855 12.5952 12.8347 12.8442 k =-0.0463-0.0592 0.0185 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5667 -4.5665 -1.5849 -1.5841 -1.5067 -1.5037 -1.1813 -1.1785 0.9424 0.9433 1.9263 1.9278 2.3066 2.3086 3.9129 3.9151 4.1055 4.1100 4.5487 4.5510 4.6732 4.6776 5.1659 5.1686 5.3922 5.3974 5.5046 5.5186 6.1308 6.1369 6.5422 6.5651 6.8692 6.8925 7.1675 7.1720 7.4499 7.4581 8.2906 8.2994 8.8540 8.8648 9.1213 9.1313 11.5136 11.5279 11.5956 11.6102 12.1697 12.1862 12.5958 12.6047 12.8958 12.9075 k =-0.0370-0.0474 0.0148 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5771 -4.5769 -1.5810 -1.5804 -1.4932 -1.4907 -1.1650 -1.1627 0.9157 0.9164 1.9370 1.9382 2.3213 2.3230 3.9248 3.9268 4.1384 4.1428 4.5654 4.5700 4.6118 4.6187 5.1240 5.1262 5.3921 5.3954 5.5155 5.5263 6.1690 6.1752 6.5110 6.5336 6.8352 6.8561 7.1261 7.1303 7.4348 7.4417 8.3105 8.3177 8.8693 8.8779 9.1395 9.1477 11.5259 11.5354 11.6585 11.6666 12.2034 12.2186 12.6050 12.6131 12.9282 12.9407 k =-0.0278-0.0355 0.0111 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5852 -4.5850 -1.5785 -1.5780 -1.4824 -1.4804 -1.1513 -1.1496 0.8941 0.8947 1.9459 1.9468 2.3327 2.3340 3.9332 3.9348 4.1757 4.1798 4.5439 4.5493 4.5944 4.6005 5.0842 5.0859 5.3911 5.3931 5.5279 5.5357 6.2095 6.2167 6.4778 6.4992 6.8079 6.8252 7.0927 7.0962 7.4232 7.4287 8.3258 8.3313 8.8820 8.8883 9.1546 9.1608 11.5302 11.5370 11.7184 11.7240 12.2306 12.2440 12.6133 12.6204 12.9377 12.9488 k =-0.0185-0.0237 0.0074 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5910 -4.5909 -1.5769 -1.5766 -1.4744 -1.4730 -1.1410 -1.1398 0.8782 0.8787 1.9526 1.9533 2.3408 2.3417 3.9388 3.9399 4.2148 4.2184 4.4921 4.4956 4.6129 4.6157 5.0509 5.0520 5.3901 5.3912 5.5387 5.5439 6.2504 6.2587 6.4438 6.4627 6.7884 6.8009 7.0682 7.0707 7.4153 7.4190 8.3368 8.3406 8.8915 8.8957 9.1662 9.1703 11.5321 11.5367 11.7680 11.7720 12.2506 12.2609 12.6208 12.6262 12.9367 12.9452 k =-0.0093-0.0118 0.0037 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5944 -4.5944 -1.5760 -1.5759 -1.4695 -1.4688 -1.1345 -1.1338 0.8686 0.8688 1.9569 1.9572 2.3457 2.3461 3.9420 3.9426 4.2499 4.2525 4.4489 4.4513 4.6270 4.6284 5.0283 5.0289 5.3894 5.3900 5.5463 5.5489 6.2878 6.2957 6.4135 6.4269 6.7778 6.7844 7.0535 7.0548 7.4109 7.4128 8.3437 8.3456 8.8977 8.8997 9.1737 9.1757 11.5334 11.5357 11.8014 11.8036 12.2634 12.2692 12.6268 12.6298 12.9340 12.9387 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 k = 0.0000 0.0000 0.0154 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5945 -4.5945 -1.6033 -1.6004 -1.4459 -1.4427 -1.1318 -1.1316 0.8676 0.8680 1.9570 1.9581 2.3466 2.3472 3.9408 3.9422 4.2687 4.2707 4.4315 4.4341 4.6335 4.6359 5.0194 5.0200 5.3895 5.3910 5.5414 5.5439 6.2987 6.3055 6.4086 6.4209 6.7694 6.7798 7.0523 7.0573 7.4154 7.4186 8.3449 8.3460 8.8959 8.8975 9.1751 9.1756 11.5264 11.5305 11.8103 11.8121 12.2582 12.2622 12.6200 12.6257 12.9276 12.9345 k = 0.0000 0.0000 0.0308 ( 6599 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5913 -4.5912 -1.6558 -1.6522 -1.4028 -1.3988 -1.1310 -1.1306 0.8746 0.8754 1.9539 1.9560 2.3448 2.3461 3.9350 3.9377 4.2753 4.2790 4.4351 4.4402 4.6380 4.6428 5.0165 5.0178 5.3908 5.3941 5.5200 5.5252 6.2791 6.2874 6.4339 6.4522 6.7606 6.7792 7.0682 7.0765 7.4339 7.4400 8.3409 8.3431 8.8839 8.8869 9.1704 9.1714 11.5067 11.5148 11.8011 11.8047 12.2287 12.2368 12.5986 12.6078 12.9170 12.9279 k = 0.0000 0.0000 0.0463 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5859 -4.5858 -1.7161 -1.7124 -1.3571 -1.3528 -1.1296 -1.1289 0.8862 0.8874 1.9490 1.9520 2.3423 2.3441 3.9270 3.9307 4.2857 4.2907 4.4422 4.4494 4.6463 4.6532 5.0121 5.0140 5.3912 5.3969 5.4908 5.4989 6.2547 6.2629 6.4684 6.4893 6.7542 6.7771 7.0965 7.1060 7.4635 7.4721 8.3344 8.3377 8.8643 8.8688 9.1631 9.1646 11.4762 11.4881 11.7862 11.7915 12.1841 12.1961 12.5705 12.5806 12.9008 12.9133 k = 0.0000 0.0000 0.0617 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5784 -4.5782 -1.7804 -1.7768 -1.3126 -1.3083 -1.1275 -1.1266 0.9019 0.9035 1.9424 1.9463 2.3392 2.3415 3.9177 3.9222 4.2985 4.3044 4.4528 4.4615 4.6578 4.6669 5.0060 5.0087 5.3843 5.3916 5.4650 5.4752 6.2269 6.2352 6.5026 6.5242 6.7567 6.7796 7.1359 7.1449 7.5018 7.5126 8.3254 8.3297 8.8372 8.8431 9.1536 9.1554 11.4364 11.4518 11.7653 11.7724 12.1279 12.1437 12.5401 12.5496 12.8738 12.8859 k = 0.0000 0.0000 0.0771 ( 6597 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5688 -4.5685 -1.8475 -1.8439 -1.2706 -1.2663 -1.1248 -1.1236 0.9214 0.9233 1.9340 1.9388 2.3360 2.3387 3.9081 3.9132 4.3125 4.3190 4.4660 4.4755 4.6724 4.6833 4.9984 5.0022 5.3602 5.3653 5.4597 5.4677 6.1967 6.2054 6.5271 6.5477 6.7770 6.7955 7.1842 7.1922 7.5462 7.5589 8.3137 8.3189 8.8029 8.8100 9.1424 9.1445 11.3891 11.4076 11.7380 11.7466 12.0639 12.0831 12.5103 12.5184 12.8311 12.8418 k = 0.0000 0.0000 0.0925 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5570 -4.5567 -1.9166 -1.9132 -1.2315 -1.2273 -1.1212 -1.1198 0.9441 0.9463 1.9238 1.9294 2.3331 2.3362 3.8991 3.9045 4.3273 4.3342 4.4803 4.4898 4.6897 4.7019 4.9899 4.9950 5.3221 5.3250 5.4716 5.4768 6.1650 6.1742 6.5361 6.5557 6.8185 6.8304 7.2393 7.2464 7.5946 7.6090 8.2991 8.3050 8.7616 8.7698 9.1297 9.1320 11.3361 11.3575 11.7039 11.7135 11.9957 12.0176 12.4823 12.4891 12.7723 12.7812 k = 0.0000 0.0000 0.1079 ( 6592 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5432 -4.5428 -1.9874 -1.9842 -1.1957 -1.1918 -1.1166 -1.1146 0.9693 0.9717 1.9120 1.9182 2.3310 2.3345 3.8911 3.8968 4.3426 4.3501 4.4935 4.5023 4.7086 4.7217 4.9809 4.9878 5.2802 5.2831 5.4914 5.4953 6.1329 6.1423 6.5326 6.5517 6.8758 6.8826 7.2993 7.3059 7.6452 7.6613 8.2810 8.2876 8.7142 8.7233 9.1161 9.1185 11.2791 11.3032 11.6625 11.6723 11.9267 11.9501 12.4564 12.4622 12.7016 12.7086 k = 0.0000 0.0000 0.1234 ( 6592 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5273 -4.5268 -2.0595 -2.0564 -1.1643 -1.1608 -1.1099 -1.1071 0.9962 0.9989 1.8984 1.9051 2.3303 2.3340 3.8846 3.8904 4.3586 4.3668 4.5036 4.5110 4.7275 4.7405 4.9728 4.9816 5.2417 5.2456 5.5162 5.5199 6.1012 6.1106 6.5227 6.5416 6.9417 6.9464 7.3626 7.3692 7.6966 7.7143 8.2593 8.2663 8.6617 8.6715 9.1016 9.1042 11.2201 11.2467 11.6135 11.6225 11.8597 11.8830 12.4315 12.4368 12.6253 12.6309 k = 0.0000 0.0000 0.1388 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5094 -4.5089 -2.1325 -2.1295 -1.1398 -1.1367 -1.0986 -1.0944 1.0242 1.0270 1.8832 1.8903 2.3314 2.3352 3.8797 3.8856 4.3750 4.3843 4.5091 4.5148 4.7430 4.7549 4.9674 4.9777 5.2116 5.2167 5.5446 5.5487 6.0707 6.0798 6.5112 6.5296 7.0111 7.0166 7.4280 7.4348 7.7474 7.7668 8.2332 8.2402 8.6057 8.6157 9.0866 9.0893 11.1605 11.1894 11.5570 11.5648 11.7963 11.8180 12.4056 12.4104 12.5503 12.5551 k = 0.0000 0.0000 0.1542 ( 6592 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4895 -4.4890 -2.2060 -2.2032 -1.1247 -1.1218 -1.0799 -1.0748 1.0525 1.0555 1.8665 1.8739 2.3348 2.3387 3.8766 3.8825 4.3910 4.4017 4.5096 4.5140 4.7508 4.7607 4.9672 4.9780 5.1939 5.2000 5.5759 5.5805 6.0423 6.0510 6.5007 6.5183 7.0818 7.0888 7.4941 7.5015 7.7965 7.8174 8.2023 8.2089 8.5479 8.5579 9.0712 9.0739 11.1017 11.1329 11.4937 11.5016 11.7366 11.7558 12.3733 12.3780 12.4850 12.4891 k = 0.0000 0.0000 0.1696 ( 6594 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4678 -4.4672 -2.2798 -2.2771 -1.1157 -1.1130 -1.0566 -1.0514 1.0803 1.0834 1.8483 1.8560 2.3409 2.3447 3.8755 3.8813 4.4040 4.4163 4.5069 4.5110 4.7477 4.7560 4.9731 4.9830 5.1914 5.1980 5.6092 5.6144 6.0170 6.0253 6.4924 6.5091 7.1517 7.1604 7.5595 7.5677 7.8424 7.8650 8.1664 8.1718 8.4906 8.5000 9.0555 9.0583 11.0448 11.0780 11.4261 11.4359 11.6796 11.6965 12.3274 12.3350 12.4365 12.4417 k = 0.0000 0.0000 0.1850 ( 6602 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4443 -4.4436 -2.3536 -2.3510 -1.1091 -1.1066 -1.0326 -1.0277 1.1071 1.1103 1.8290 1.8367 2.3499 2.3536 3.8762 3.8819 4.4091 4.4224 4.5056 4.5099 4.7353 4.7434 4.9828 4.9909 5.2047 5.2111 5.6434 5.6494 5.9958 6.0039 6.4872 6.5027 7.2190 7.2294 7.6228 7.6319 7.8833 7.9070 8.1264 8.1299 8.4360 8.4443 9.0396 9.0426 10.9908 11.0257 11.3577 11.3702 11.6243 11.6395 12.2718 12.2830 12.4034 12.4105 k = 0.0000 0.0000 0.2004 ( 6604 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4190 -4.4183 -2.4270 -2.4245 -1.1034 -1.1010 -1.0095 -1.0048 1.1322 1.1356 1.8088 1.8165 2.3619 2.3654 3.8788 3.8843 4.4021 4.4146 4.5095 4.5128 4.7204 4.7290 4.9929 4.9990 5.2323 5.2379 5.6774 5.6841 5.9798 5.9883 6.4853 6.4997 7.2820 7.2940 7.6815 7.6919 7.9141 7.9383 8.0844 8.0919 8.3858 8.3926 9.0238 9.0269 10.9402 10.9763 11.2922 11.3070 11.5702 11.5845 12.2159 12.2296 12.3779 12.3860 k = 0.0000 0.0000 0.2159 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.3921 -4.3914 -2.4997 -2.4973 -1.0982 -1.0959 -0.9877 -0.9832 1.1554 1.1588 1.7880 1.7955 2.3768 2.3802 3.8833 3.8886 4.3833 4.3944 4.5131 4.5150 4.7123 4.7209 5.0013 5.0056 5.2708 5.2756 5.7096 5.7170 5.9705 5.9800 6.4870 6.5001 7.3391 7.3525 7.7314 7.7437 7.9213 7.9470 8.0541 8.0763 8.3403 8.3464 9.0082 9.0115 10.8935 10.9301 11.2327 11.2489 11.5178 11.5316 12.1643 12.1797 12.3544 12.3630 k = 0.0000 0.0000 0.2313 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.3638 -4.3630 -2.5715 -2.5692 -1.0933 -1.0911 -0.9672 -0.9630 1.1762 1.1797 1.7668 1.7742 2.3944 2.3977 3.8895 3.8946 4.3567 4.3666 4.5073 4.5091 4.7188 4.7263 5.0073 5.0103 5.3165 5.3206 5.7385 5.7464 5.9692 5.9805 6.4921 6.5040 7.3887 7.4032 7.7611 7.7757 7.9023 7.9321 8.0559 8.0907 8.2988 8.3066 8.9929 8.9964 10.8511 10.8872 11.1814 11.1983 11.4677 11.4811 12.1182 12.1346 12.3300 12.3386 k = 0.0000 0.0000 0.2467 ( 6614 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3341 -4.3333 -2.6419 -2.6397 -1.0887 -1.0865 -0.9481 -0.9441 1.1945 1.1981 1.7456 1.7528 2.4144 2.4177 3.8975 3.9023 4.3254 4.3342 4.4899 4.4927 4.7409 4.7472 5.0113 5.0134 5.3661 5.3699 5.7629 5.7709 5.9772 5.9904 6.5004 6.5111 7.4293 7.4444 7.7485 7.7609 7.9017 7.9294 8.0767 8.1192 8.2604 8.2736 8.9780 8.9819 10.8134 10.8482 11.1400 11.1569 11.4208 11.4341 12.0775 12.0945 12.3026 12.3112 k = 0.0000 0.0000 0.2621 ( 6614 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3034 -4.3025 -2.7106 -2.7085 -1.0842 -1.0822 -0.9305 -0.9267 1.2102 1.2139 1.7248 1.7318 2.4364 2.4395 3.9070 3.9115 4.2915 4.2993 4.4650 4.4684 4.7738 4.7794 5.0143 5.0164 5.4169 5.4210 5.7828 5.7902 5.9942 6.0090 6.5115 6.5211 7.4591 7.4746 7.6961 7.7079 7.9264 7.9505 8.0997 8.1518 8.2252 8.2484 8.9637 8.9681 10.7810 10.8139 11.1087 11.1254 11.3783 11.3915 12.0415 12.0585 12.2705 12.2789 k = 0.0000 0.0000 0.2775 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4893 -31.4198 -31.4198 -4.2718 -4.2709 -2.7773 -2.7753 -1.0800 -1.0781 -0.9142 -0.9107 1.2236 1.2272 1.7047 1.7113 2.4597 2.4628 3.9180 3.9221 4.2567 4.2634 4.4364 4.4399 4.8116 4.8167 5.0186 5.0213 5.4668 5.4718 5.7991 5.8053 6.0185 6.0342 6.5248 6.5335 7.4748 7.4933 7.6281 7.6473 7.9545 7.9774 8.1147 8.1766 8.2015 8.2358 8.9499 8.9549 10.7549 10.7855 11.0867 11.1035 11.3415 11.3550 12.0090 12.0257 12.2318 12.2399 k = 0.0000 0.0000 0.2930 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.2396 -4.2388 -2.8415 -2.8396 -1.0761 -1.0744 -0.8993 -0.8961 1.2346 1.2381 1.6856 1.6918 2.4838 2.4868 3.9303 3.9339 4.2223 4.2279 4.4064 4.4098 4.8478 4.8526 5.0286 5.0324 5.5140 5.5204 5.8128 5.8181 6.0475 6.0635 6.5393 6.5473 7.4679 7.5018 7.5578 7.5966 7.9781 8.0014 8.1126 8.1534 8.2277 8.2429 8.9367 8.9423 10.7360 10.7644 11.0723 11.0894 11.3121 11.3262 11.9785 11.9945 12.1854 12.1929 k = 0.0000 0.0000 0.3084 ( 6596 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.2074 -4.2066 -2.9026 -2.9009 -1.0725 -1.0709 -0.8858 -0.8830 1.2435 1.2469 1.6678 1.6736 2.5079 2.5108 3.9434 3.9465 4.1894 4.1939 4.3764 4.3795 4.8750 4.8793 5.0506 5.0553 5.5567 5.5649 5.8245 5.8304 6.0788 6.0947 6.5539 6.5616 7.4330 7.4808 7.5126 7.5665 7.9943 8.0195 8.0954 8.1234 8.2608 8.2682 8.9239 8.9302 10.7253 10.7516 11.0628 11.0802 11.2921 11.3067 11.9478 11.9628 12.1317 12.1389 k = 0.0000 0.0000 0.3238 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.1756 -4.1747 -2.9602 -2.9586 -1.0692 -1.0678 -0.8737 -0.8712 1.2506 1.2538 1.6515 1.6568 2.5315 2.5341 3.9568 3.9595 4.1591 4.1628 4.3469 4.3496 4.8894 4.8929 5.0879 5.0931 5.5937 5.6035 5.8350 5.8424 6.1104 6.1257 6.5675 6.5752 7.3834 7.4197 7.5075 7.5497 8.0002 8.0290 8.0723 8.0979 8.2922 8.3023 8.9115 8.9184 10.7230 10.7476 11.0557 11.0727 11.2835 11.2980 11.9134 11.9274 12.0748 12.0822 k = 0.0000 0.0000 0.3392 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1448 -4.1440 -3.0133 -3.0119 -1.0663 -1.0651 -0.8632 -0.8610 1.2561 1.2591 1.6371 1.6418 2.5537 2.5561 3.9698 3.9723 4.1328 4.1360 4.3183 4.3208 4.8933 4.8959 5.1372 5.1426 5.6238 5.6347 5.8447 5.8535 6.1407 6.1550 6.5791 6.5867 7.3339 7.3634 7.5022 7.5367 7.9919 8.0187 8.0593 8.0816 8.3241 8.3364 8.8996 8.9071 10.7289 10.7519 11.0491 11.0651 11.2870 11.3008 11.8701 11.8834 12.0218 12.0306 k = 0.0000 0.0000 0.3546 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1159 -4.1151 -3.0613 -3.0600 -1.0638 -1.0627 -0.8541 -0.8522 1.2603 1.2629 1.6246 1.6287 2.5739 2.5760 3.9808 3.9835 4.1119 4.1156 4.2909 4.2932 4.8913 4.8932 5.1927 5.1980 5.6462 5.6573 5.8535 5.8628 6.1685 6.1814 6.5881 6.5956 7.2910 7.3156 7.4963 7.5252 7.9709 7.9893 8.0595 8.0743 8.3550 8.3679 8.8884 8.8960 10.7416 10.7632 11.0423 11.0571 11.3010 11.3140 11.8146 11.8273 11.9802 11.9901 k = 0.0000 0.0000 0.3701 ( 6607 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0898 -4.0891 -3.1030 -3.1019 -1.0617 -1.0608 -0.8465 -0.8450 1.2635 1.2656 1.6144 1.6177 2.5915 2.5933 3.9882 3.9915 4.0986 4.1033 4.2650 4.2674 4.8868 4.8882 5.2495 5.2546 5.6606 5.6710 5.8609 5.8695 6.1927 6.2038 6.5944 6.6014 7.2572 7.2772 7.4918 7.5153 7.9440 7.9563 8.0612 8.0709 8.3832 8.3955 8.8783 8.8856 10.7592 10.7790 11.0359 11.0497 11.3232 11.3358 11.7502 11.7624 11.9510 11.9605 k = 0.0000 0.0000 0.3855 ( 6605 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0676 -4.0671 -3.1372 -3.1364 -1.0600 -1.0593 -0.8406 -0.8394 1.2657 1.2674 1.6063 1.6089 2.6059 2.6073 3.9909 3.9944 4.0946 4.0999 4.2413 4.2437 4.8819 4.8829 5.3033 5.3079 5.6674 5.6760 5.8664 5.8733 6.2126 6.2214 6.5985 6.6045 7.2327 7.2481 7.4898 7.5078 7.9172 7.9254 8.0619 8.0684 8.4075 8.4181 8.8697 8.8762 10.7789 10.7960 11.0314 11.0440 11.3508 11.3634 11.6838 11.6956 11.9309 11.9388 k = 0.0000 0.0000 0.4009 ( 6608 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0506 -4.0502 -3.1628 -3.1623 -1.0588 -1.0583 -0.8362 -0.8355 1.2673 1.2684 1.6007 1.6025 2.6166 2.6176 3.9902 3.9930 4.0986 4.1032 4.2210 4.2231 4.8778 4.8784 5.3495 5.3531 5.6680 5.6742 5.8700 5.8747 6.2277 6.2337 6.6013 6.6058 7.2169 7.2273 7.4903 7.5026 7.8948 7.8998 8.0622 8.0662 8.4266 8.4344 8.8634 8.8683 10.7974 10.8104 11.0297 11.0398 11.3818 11.3941 11.6220 11.6334 11.9176 11.9232 k = 0.0000 0.0000 0.4163 ( 6606 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0398 -4.0396 -3.1787 -3.1784 -1.0580 -1.0577 -0.8335 -0.8331 1.2683 1.2689 1.5975 1.5984 2.6233 2.6238 3.9888 3.9902 4.1058 4.1085 4.2064 4.2078 4.8751 4.8754 5.3821 5.3842 5.6658 5.6691 5.8722 5.8746 6.2375 6.2406 6.6033 6.6057 7.2089 7.2142 7.4928 7.4990 7.8801 7.8825 8.0624 8.0643 8.4396 8.4437 8.8600 8.8626 10.8117 10.8188 11.0308 11.0365 11.4128 11.4223 11.5733 11.5822 11.9102 11.9132 k = 0.0000 0.0000 0.4317 ( 6600 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0360 -4.0360 -3.1840 -3.1840 -1.0576 -1.0576 -0.8325 -0.8325 1.2688 1.2688 1.5967 1.5967 2.6258 2.6258 3.9886 3.9886 4.1102 4.1102 4.2013 4.2013 4.8742 4.8742 5.3947 5.3947 5.6654 5.6654 5.8737 5.8737 6.2418 6.2418 6.6048 6.6048 7.2081 7.2081 7.4958 7.4958 7.8757 7.8757 8.0630 8.0630 8.4454 8.4454 8.8597 8.8597 10.8193 10.8193 11.0335 11.0335 11.4324 11.4324 11.5558 11.5558 11.9088 11.9088 k = 0.0000-0.4642 0.4083 ( 6574 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.0681 -3.0681 -3.0084 -3.0084 -2.5630 -2.5630 -1.6525 -1.6525 1.0326 1.0326 1.6843 1.6843 3.3309 3.3309 4.1753 4.1753 4.8364 4.8364 5.0564 5.0564 5.3226 5.3226 5.6359 5.6359 5.8748 5.8748 6.1705 6.1705 6.2808 6.2808 6.7706 6.7706 7.1928 7.1928 7.3909 7.3909 7.6522 7.6522 8.0094 8.0094 8.2733 8.2733 8.4278 8.4278 10.6189 10.6189 11.0244 11.0244 11.0787 11.0787 11.2191 11.2191 11.6813 11.6813 k = 0.0000-0.4526 0.3981 ( 6575 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.1040 -3.1034 -2.9747 -2.9739 -2.5615 -2.5607 -1.6506 -1.6501 1.0331 1.0338 1.6840 1.6845 3.3277 3.3280 4.1751 4.1756 4.8306 4.8320 5.0528 5.0538 5.3238 5.3244 5.6347 5.6370 5.8750 5.8791 6.1645 6.1709 6.2797 6.2836 6.7671 6.7711 7.1950 7.1970 7.3893 7.3918 7.6508 7.6555 7.9948 8.0117 8.2704 8.2853 8.4282 8.4318 10.6208 10.6227 11.0150 11.0234 11.0820 11.0898 11.2170 11.2201 11.6806 11.6814 k = 0.0000-0.4410 0.3879 ( 6578 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.1599 -3.1593 -2.9238 -2.9227 -2.5560 -2.5544 -1.6447 -1.6437 1.0352 1.0365 1.6838 1.6847 3.3182 3.3189 4.1753 4.1761 4.8146 4.8173 5.0441 5.0461 5.3269 5.3281 5.6328 5.6373 5.8800 5.8878 6.1541 6.1657 6.2804 6.2872 6.7618 6.7691 7.2022 7.2056 7.3881 7.3928 7.6515 7.6606 7.9712 8.0017 8.2760 8.3023 8.4335 8.4407 10.6279 10.6317 11.0039 11.0152 11.0967 11.1058 11.2151 11.2208 11.6802 11.6820 k = 0.0000-0.4294 0.3777 ( 6581 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.2188 -3.2181 -2.8734 -2.8719 -2.5465 -2.5441 -1.6346 -1.6332 1.0390 1.0410 1.6835 1.6849 3.3027 3.3037 4.1758 4.1769 4.7890 4.7928 5.0327 5.0355 5.3299 5.3318 5.6287 5.6351 5.8897 5.9005 6.1404 6.1559 6.2829 6.2912 6.7564 6.7659 7.2104 7.2140 7.3904 7.3965 7.6545 7.6676 7.9426 7.9830 8.2856 8.3187 8.4452 8.4554 10.6387 10.6445 10.9969 11.0087 11.1127 11.1194 11.2166 11.2239 11.6821 11.6850 k = 0.0000-0.4178 0.3675 ( 6579 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.2788 -3.2781 -2.8255 -2.8236 -2.5325 -2.5294 -1.6207 -1.6188 1.0445 1.0471 1.6830 1.6850 3.2814 3.2826 4.1769 4.1783 4.7549 4.7597 5.0207 5.0241 5.3309 5.3336 5.6207 5.6283 5.9037 5.9164 6.1247 6.1427 6.2869 6.2954 6.7529 6.7633 7.2144 7.2171 7.4000 7.4061 7.6600 7.6765 7.9122 7.9600 8.2941 8.3300 8.4640 8.4763 10.6513 10.6590 10.9970 11.0090 11.1217 11.1267 11.2260 11.2346 11.6886 11.6926 k = 0.0000-0.4062 0.3573 ( 6580 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.3392 -3.3384 -2.7811 -2.7789 -2.5137 -2.5100 -1.6029 -1.6006 1.0517 1.0550 1.6824 1.6848 3.2544 3.2558 4.1787 4.1803 4.7142 4.7197 5.0091 5.0131 5.3286 5.3323 5.6067 5.6150 5.9206 5.9342 6.1077 6.1269 6.2927 6.3006 6.7522 6.7623 7.2109 7.2133 7.4178 7.4236 7.6681 7.6874 7.8823 7.9359 8.2988 8.3351 8.4890 8.5028 10.6636 10.6729 11.0063 11.0184 11.1190 11.1276 11.2463 11.2562 11.7009 11.7060 k = 0.0000-0.3946 0.3471 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.3997 -3.3989 -2.7407 -2.7383 -2.4900 -2.4858 -1.5814 -1.5788 1.0606 1.0645 1.6815 1.6843 3.2221 3.2237 4.1815 4.1832 4.6688 4.6748 4.9984 5.0027 5.3226 5.3275 5.5859 5.5941 5.9384 5.9518 6.0898 6.1093 6.3005 6.3075 6.7546 6.7634 7.2006 7.2048 7.4404 7.4482 7.6792 7.7004 7.8547 7.9129 8.2990 8.3349 8.5178 8.5328 10.6742 10.6848 11.0249 11.0376 11.1109 11.1225 11.2767 11.2868 11.7196 11.7259 k = 0.0000-0.3830 0.3368 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.4600 -3.4591 -2.7041 -2.7017 -2.4614 -2.4569 -1.5567 -1.5537 1.0714 1.0759 1.6802 1.6834 3.1849 3.1867 4.1851 4.1870 4.6203 4.6268 4.9883 4.9930 5.3133 5.3195 5.5578 5.5655 5.9532 5.9659 6.0728 6.0919 6.3095 6.3161 6.7590 6.7669 7.1883 7.1950 7.4635 7.4765 7.6933 7.7154 7.8311 7.8927 8.2950 8.3306 8.5483 8.5642 10.6831 10.6946 11.0501 11.0652 11.1028 11.1162 11.3150 11.3244 11.7447 11.7524 k = 0.0000-0.3713 0.3266 ( 6584 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.5199 -3.5189 -2.6711 -2.6688 -2.4285 -2.4240 -1.5289 -1.5256 1.0841 1.0891 1.6783 1.6818 3.1434 3.1454 4.1896 4.1915 4.5705 4.5774 4.9788 4.9836 5.3012 5.3088 5.5231 5.5302 5.9593 5.9707 6.0614 6.0785 6.3181 6.3251 6.7644 6.7727 7.1786 7.1877 7.4842 7.5041 7.7098 7.7316 7.8140 7.8766 8.2874 8.3230 8.5786 8.5953 10.6915 10.7035 11.0713 11.0949 11.1018 11.1200 11.3592 11.3676 11.7756 11.7855 k = 0.0000-0.3597 0.3164 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.5790 -3.5780 -2.6409 -2.6388 -2.3922 -2.3877 -1.4985 -1.4949 1.0986 1.1041 1.6756 1.6794 3.0981 3.1002 4.1946 4.1967 4.5207 4.5280 4.9694 4.9744 5.2871 5.2961 5.4830 5.4895 5.9500 5.9597 6.0615 6.0744 6.3236 6.3313 6.7702 6.7807 7.1748 7.1860 7.5002 7.5277 7.7271 7.7469 7.8080 7.8659 8.2768 8.3128 8.6079 8.6250 10.7007 10.7130 11.0774 11.0956 11.1352 11.1480 11.4075 11.4154 11.8119 11.8247 k = 0.0000-0.3481 0.3062 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.6374 -3.6364 -2.6125 -2.6108 -2.3532 -2.3491 -1.4658 -1.4621 1.1152 1.1211 1.6720 1.6761 3.0497 3.0518 4.1993 4.2018 4.4724 4.4802 4.9600 4.9649 5.2715 5.2820 5.4387 5.4449 5.9256 5.9347 6.0706 6.0796 6.3230 6.3310 6.7776 6.7905 7.1789 7.1917 7.5104 7.5442 7.7406 7.7608 7.8177 7.8625 8.2638 8.3006 8.6355 8.6528 10.7122 10.7247 11.0809 11.0968 11.1734 11.1858 11.4576 11.4663 11.8528 11.8693 k = 0.0000-0.3365 0.2960 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.6948 -3.6938 -2.5851 -2.5838 -2.3126 -2.3087 -1.4315 -1.4277 1.1337 1.1401 1.6673 1.6716 2.9987 3.0008 4.2025 4.2057 4.4272 4.4357 4.9503 4.9551 5.2553 5.2671 5.3919 5.3979 5.8917 5.9012 6.0823 6.0891 6.3136 6.3214 6.7876 6.8022 7.1916 7.2051 7.5147 7.5523 7.7479 7.7768 7.8390 7.8686 8.2493 8.2870 8.6611 8.6785 10.7269 10.7396 11.0891 11.1035 11.2116 11.2250 11.5070 11.5181 11.8968 11.9179 k = 0.0000-0.3249 0.2858 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.7512 -3.7501 -2.5581 -2.5571 -2.2708 -2.2673 -1.3960 -1.3921 1.1543 1.1610 1.6613 1.6657 2.9459 2.9479 4.2022 4.2064 4.3875 4.3969 4.9402 4.9447 5.2389 5.2520 5.3440 5.3500 5.8526 5.8626 6.0931 6.0991 6.2942 6.3014 6.8004 6.8159 7.2118 7.2251 7.5135 7.5521 7.7548 7.7919 7.8645 7.8871 8.2343 8.2729 8.6849 8.7020 10.7455 10.7584 11.1036 11.1168 11.2482 11.2629 11.5534 11.5679 11.9413 11.9676 k = 0.0000-0.3133 0.2756 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.8063 -3.8052 -2.5310 -2.5303 -2.2283 -2.2253 -1.3598 -1.3559 1.1769 1.1839 1.6538 1.6582 2.8917 2.8937 4.1954 4.2006 4.3568 4.3669 4.9294 4.9335 5.2228 5.2369 5.2965 5.3027 5.8105 5.8211 6.1013 6.1072 6.2651 6.2718 6.8151 6.8305 7.2376 7.2498 7.5077 7.5452 7.7636 7.8040 7.8919 7.9160 8.2198 8.2593 8.7070 8.7235 10.7684 10.7814 11.1246 11.1370 11.2820 11.2983 11.5955 11.6133 11.9820 12.0135 k = 0.0000-0.3017 0.2654 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.8601 -3.8590 -2.5035 -2.5029 -2.1854 -2.1828 -1.3235 -1.3196 1.2015 1.2086 1.6448 1.6491 2.8369 2.8388 4.1794 4.1851 4.3381 4.3482 4.9180 4.9214 5.2067 5.2210 5.2515 5.2580 5.7665 5.7777 6.1055 6.1121 6.2284 6.2351 6.8297 6.8446 7.2668 7.2769 7.4982 7.5334 7.7739 7.8139 7.9227 7.9496 8.2077 8.2477 8.7278 8.7435 10.7955 10.8085 11.1518 11.1637 11.3120 11.3299 11.6330 11.6532 12.0143 12.0494 k = 0.0000-0.2901 0.2552 ( 6595 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.9124 -3.9114 -2.4754 -2.4746 -2.1423 -2.1401 -1.2878 -1.2839 1.2279 1.2351 1.6341 1.6383 2.7819 2.7837 4.1550 4.1605 4.3305 4.3399 4.9058 4.9085 5.1876 5.1971 5.2144 5.2234 5.7217 5.7333 6.1027 6.1118 6.1876 6.1962 6.8420 6.8559 7.2971 7.3040 7.4857 7.5183 7.7849 7.8228 7.9565 7.9847 8.1999 8.2396 8.7478 8.7624 10.8267 10.8395 11.1835 11.1954 11.3379 11.3573 11.6671 11.6881 12.0368 12.0725 k = 0.0000-0.2785 0.2450 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -3.9633 -3.9622 -2.4464 -2.4453 -2.0990 -2.0971 -1.2531 -1.2493 1.2559 1.2630 1.6221 1.6260 2.7274 2.7290 4.1256 4.1306 4.3299 4.3384 4.8926 4.8951 5.1561 5.1617 5.1923 5.2069 5.6765 5.6887 6.0851 6.0988 6.1520 6.1647 6.8497 6.8625 7.3261 7.3290 7.4706 7.5006 7.7954 7.8311 7.9926 8.0197 8.1986 8.2366 8.7674 8.7807 10.8614 10.8741 11.2163 11.2287 11.3612 11.3816 11.6996 11.7197 12.0530 12.0869 k = 0.0000-0.2669 0.2348 ( 6586 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0126 -4.0115 -2.4163 -2.4150 -2.0555 -2.0541 -1.2199 -1.2163 1.2848 1.2916 1.6090 1.6125 2.6737 2.6752 4.0944 4.0991 4.3321 4.3398 4.8786 4.8816 5.1200 5.1257 5.1802 5.1966 5.6316 5.6443 6.0471 6.0615 6.1356 6.1482 6.8512 6.8628 7.3480 7.3533 7.4536 7.4812 7.8043 7.8392 8.0307 8.0539 8.2057 8.2402 8.7870 8.7987 10.8992 10.9116 11.2440 11.2568 11.3875 11.4080 11.7318 11.7497 12.0679 12.0987 k = 0.0000-0.2553 0.2246 ( 6584 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.0602 -4.0592 -2.3852 -2.3836 -2.0120 -2.0109 -1.1888 -1.1854 1.3135 1.3199 1.5959 1.5988 2.6214 2.6228 4.0636 4.0682 4.3342 4.3416 4.8639 4.8680 5.0867 5.0929 5.1719 5.1890 5.5875 5.6005 5.9970 6.0106 6.1291 6.1401 6.8452 6.8560 7.3602 7.3740 7.4354 7.4615 7.8110 7.8473 8.0704 8.0877 8.2219 8.2511 8.8067 8.8168 10.9390 10.9515 11.2589 11.2713 11.4251 11.4439 11.7634 11.7793 12.0851 12.1120 k = 0.0000-0.2437 0.2144 ( 6584 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1060 -4.1051 -2.3529 -2.3511 -1.9684 -1.9677 -1.1602 -1.1570 1.3402 1.3457 1.5843 1.5871 2.5708 2.5723 4.0345 4.0391 4.3347 4.3420 4.8490 4.8543 5.0577 5.0646 5.1663 5.1837 5.5445 5.5577 5.9423 5.9557 6.1246 6.1345 6.8316 6.8418 7.3603 7.3841 7.4191 7.4446 7.8158 7.8550 8.1111 8.1231 8.2459 8.2694 8.8265 8.8348 10.9797 10.9927 11.2584 11.2715 11.4763 11.4931 11.7930 11.8084 12.1074 12.1302 k = 0.0000-0.2321 0.2042 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1501 -4.1492 -2.3195 -2.3174 -1.9249 -1.9244 -1.1344 -1.1315 1.3610 1.3655 1.5773 1.5812 2.5222 2.5239 4.0077 4.0124 4.3325 4.3398 4.8337 4.8401 5.0338 5.0415 5.1631 5.1805 5.5028 5.5163 5.8861 5.8997 6.1204 6.1297 6.8108 6.8205 7.3463 7.3725 7.4132 7.4334 7.8199 7.8627 8.1514 8.1624 8.2756 8.2944 8.8460 8.8528 11.0189 11.0336 11.2476 11.2639 11.5378 11.5534 11.8190 11.8360 12.1366 12.1557 k = 0.0000-0.2205 0.1939 ( 6585 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.1923 -4.1914 -2.2849 -2.2827 -1.8815 -1.8811 -1.1119 -1.1092 1.3710 1.3748 1.5798 1.5856 2.4761 2.4779 3.9837 3.9884 4.3272 4.3348 4.8177 4.8248 5.0156 5.0243 5.1621 5.1793 5.4628 5.4764 5.8299 5.8440 6.1166 6.1254 6.7835 6.7931 7.3215 7.3448 7.4109 7.4244 7.8246 7.8704 8.1916 8.2053 8.3087 8.3249 8.8650 8.8702 11.0528 11.0710 11.2352 11.2570 11.6056 11.6210 11.8414 11.8610 12.1728 12.1894 k = 0.0000-0.2089 0.1837 ( 6589 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2327 -4.2318 -2.2492 -2.2468 -1.8384 -1.8378 -1.0929 -1.0903 1.3666 1.3705 1.5954 1.6031 2.4327 2.4348 3.9625 3.9674 4.3188 4.3267 4.8003 4.8078 5.0034 5.0131 5.1629 5.1798 5.4247 5.4382 5.7750 5.7898 6.1135 6.1219 6.7511 6.7606 7.2900 7.3105 7.4032 7.4131 7.8304 7.8783 8.2327 8.2492 8.3441 8.3590 8.8828 8.8869 11.0762 11.0978 11.2327 11.2601 11.6773 11.6928 11.8613 11.8836 12.2144 12.2297 k = 0.0000-0.1973 0.1735 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.2710 -4.2702 -2.2124 -2.2098 -1.7955 -1.7947 -1.0775 -1.0751 1.3496 1.3535 1.6231 1.6318 2.3922 2.3946 3.9444 3.9495 4.3077 4.3160 4.7812 4.7886 4.9969 5.0075 5.1652 5.1816 5.3884 5.4020 5.7225 5.7380 6.1114 6.1196 6.7150 6.7244 7.2538 7.2723 7.3892 7.3976 7.8371 7.8860 8.2740 8.2922 8.3807 8.3952 8.8988 8.9024 11.0862 11.1069 11.2510 11.2791 11.7503 11.7663 11.8806 11.9054 12.2579 12.2730 k = 0.0000-0.1857 0.1633 ( 6587 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4894 -31.4198 -31.4198 -4.3074 -4.3066 -2.1747 -2.1719 -1.7532 -1.7521 -1.0659 -1.0637 1.3236 1.3273 1.6590 1.6681 2.3549 2.3576 3.9293 3.9345 4.2946 4.3034 4.7600 4.7672 4.9951 5.0064 5.1682 5.1841 5.3542 5.3677 5.6738 5.6898 6.1108 6.1189 6.6766 6.6859 7.2141 7.2309 7.3699 7.3780 7.8437 7.8927 8.3139 8.3325 8.4180 8.4328 8.9131 8.9169 11.0877 11.1041 11.2872 11.3123 11.8216 11.8377 11.9019 11.9295 12.3005 12.3154 k = 0.0000-0.1741 0.1531 ( 6584 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.3417 -4.3410 -2.1359 -2.1330 -1.7114 -1.7100 -1.0581 -1.0560 1.2919 1.2952 1.6996 1.7087 2.3212 2.3241 3.9171 3.9225 4.2803 4.2895 4.7370 4.7439 4.9962 5.0079 5.1710 5.1865 5.3219 5.3355 5.6305 5.6468 6.1121 6.1202 6.6371 6.6465 7.1715 7.1870 7.3465 7.3548 7.8488 7.8972 8.3497 8.3683 8.4555 8.4716 8.9262 8.9306 11.0884 11.1006 11.3321 11.3537 11.8849 11.8968 11.9334 11.9620 12.3414 12.3560 k = 0.0000-0.1625 0.1429 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.3740 -4.3733 -2.0963 -2.0933 -1.6706 -1.6688 -1.0541 -1.0520 1.2564 1.2593 1.7424 1.7513 2.2915 2.2945 3.9077 3.9134 4.2656 4.2752 4.7126 4.7192 4.9981 5.0098 5.1728 5.1879 5.2914 5.3051 5.5946 5.6108 6.1157 6.1238 6.5980 6.6073 7.1266 7.1411 7.3205 7.3290 7.8510 7.8983 8.3784 8.3974 8.4937 8.5116 8.9389 8.9443 11.0940 11.1028 11.3806 11.3992 11.9283 11.9331 11.9868 12.0100 12.3827 12.3969 k = 0.0000-0.1509 0.1327 ( 6588 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4042 -4.4035 -2.0559 -2.0528 -1.6309 -1.6288 -1.0537 -1.0515 1.2185 1.2211 1.7855 1.7941 2.2661 2.2693 3.9011 3.9070 4.2513 4.2611 4.6874 4.6936 4.9980 5.0091 5.1728 5.1880 5.2627 5.2769 5.5682 5.5832 6.1218 6.1301 6.5603 6.5698 7.0802 7.0939 7.2929 7.3017 7.8490 7.8946 8.3979 8.4175 8.5335 8.5528 8.9526 8.9591 11.1071 11.1135 11.4304 11.4465 11.9555 11.9644 12.0450 12.0655 12.4278 12.4415 k = 0.0000-0.1393 0.1225 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4894 -31.4893 -31.4198 -31.4198 -4.4322 -4.4316 -2.0148 -2.0116 -1.5928 -1.5904 -1.0567 -1.0543 1.1793 1.1815 1.8270 1.8353 2.2458 2.2489 3.8971 3.9031 4.2380 4.2481 4.6618 4.6676 4.9928 5.0026 5.1704 5.1861 5.2371 5.2525 5.5519 5.5652 6.1307 6.1394 6.5252 6.5348 7.0330 7.0461 7.2647 7.2736 7.8413 7.8848 8.4074 8.4276 8.5752 8.5946 8.9685 8.9760 11.1286 11.1334 11.4802 11.4941 11.9823 11.9928 12.0986 12.1174 12.4791 12.4921 k = 0.0000-0.1277 0.1123 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4581 -4.4575 -1.9732 -1.9700 -1.5568 -1.5541 -1.0627 -1.0601 1.1397 1.1416 1.8653 1.8731 2.2315 2.2345 3.8955 3.9016 4.2263 4.2366 4.6362 4.6417 4.9798 4.9875 5.1639 5.1767 5.2214 5.2360 5.5450 5.5561 6.1427 6.1518 6.4935 6.5034 6.9858 6.9984 7.2365 7.2454 7.8269 7.8679 8.4082 8.4286 8.6177 8.6361 8.9872 8.9954 11.1581 11.1625 11.5289 11.5408 12.0107 12.0214 12.1458 12.1625 12.5371 12.5495 k = 0.0000-0.1160 0.1021 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.4818 -4.4813 -1.9312 -1.9279 -1.5235 -1.5204 -1.0712 -1.0684 1.1004 1.1020 1.8983 1.9055 2.2243 2.2270 3.8962 3.9023 4.2168 4.2271 4.6111 4.6162 4.9572 4.9630 5.1502 5.1557 5.2226 5.2322 5.5452 5.5542 6.1576 6.1674 6.4660 6.4764 6.9396 6.9518 7.2090 7.2177 7.8047 7.8428 8.4025 8.4225 8.6597 8.6767 9.0086 9.0172 11.1945 11.1996 11.5752 11.5858 12.0414 12.0516 12.1874 12.2016 12.5997 12.6120 k = 0.0000-0.1044 0.0919 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5034 -4.5029 -1.8889 -1.8856 -1.4936 -1.4901 -1.0816 -1.0785 1.0621 1.0635 1.9245 1.9309 2.2250 2.2272 3.8988 3.9049 4.2099 4.2200 4.5868 4.5916 4.9251 4.9304 5.1293 5.1329 5.2338 5.2398 5.5497 5.5567 6.1752 6.1858 6.4435 6.4546 6.8953 6.9073 7.1826 7.1910 7.7743 7.8090 8.3931 8.4121 8.7003 8.7156 9.0320 9.0404 11.2364 11.2426 11.6183 11.6281 12.0742 12.0839 12.2257 12.2370 12.6637 12.6764 k = 0.0000-0.0928 0.0817 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5227 -4.5222 -1.8466 -1.8432 -1.4680 -1.4641 -1.0930 -1.0897 1.0255 1.0267 1.9429 1.9484 2.2335 2.2353 3.9030 3.9091 4.2059 4.2158 4.5633 4.5680 4.8856 4.8916 5.1062 5.1121 5.2505 5.2547 5.5557 5.5612 6.1946 6.2062 6.4264 6.4385 6.8544 6.8662 7.1577 7.1656 7.7357 7.7667 8.3825 8.3998 8.7386 8.7521 9.0562 9.0643 11.2819 11.2894 11.6571 11.6670 12.1087 12.1181 12.2634 12.2715 12.7253 12.7389 k = 0.0000-0.0812 0.0715 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5397 -4.5393 -1.8045 -1.8011 -1.4477 -1.4435 -1.1044 -1.1009 0.9913 0.9923 1.9541 1.9586 2.2485 2.2499 3.9086 3.9144 4.2052 4.2148 4.5408 4.5457 4.8417 4.8488 5.0854 5.0925 5.2704 5.2737 5.5612 5.5654 6.2149 6.2276 6.4149 6.4282 6.8182 6.8301 7.1346 7.1420 7.6900 7.7172 8.3723 8.3877 8.7739 8.7855 9.0802 9.0877 11.3290 11.3375 11.6913 11.7015 12.1436 12.1530 12.3035 12.3083 12.7810 12.7955 k = 0.0000-0.0696 0.0612 ( 6590 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5545 -4.5542 -1.7629 -1.7595 -1.4339 -1.4294 -1.1148 -1.1112 0.9601 0.9610 1.9597 1.9633 2.2675 2.2687 3.9150 3.9205 4.2081 4.2171 4.5192 4.5247 4.7964 4.8042 5.0675 5.0747 5.2921 5.2950 5.5647 5.5680 6.2347 6.2483 6.4087 6.4232 6.7886 6.8007 7.1136 7.1204 7.6389 7.6623 8.3637 8.3768 8.8056 8.8154 9.1030 9.1097 11.3753 11.3846 11.7209 11.7313 12.1764 12.1862 12.3474 12.3513 12.8280 12.8433 k = 0.0000-0.0580 0.0510 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5671 -4.5668 -1.7222 -1.7187 -1.4273 -1.4227 -1.1230 -1.1196 0.9324 0.9332 1.9615 1.9644 2.2878 2.2889 3.9217 3.9267 4.2145 4.2229 4.4987 4.5049 4.7522 4.7604 5.0525 5.0591 5.3145 5.3171 5.5655 5.5682 6.2528 6.2669 6.4065 6.4217 6.7676 6.7799 7.0949 7.1012 7.5850 7.6046 8.3569 8.3676 8.8332 8.8413 9.1237 9.1295 11.4188 11.4282 11.7463 11.7565 12.2049 12.2153 12.3961 12.4030 12.8649 12.8803 k = 0.0000-0.0464 0.0408 ( 6593 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5773 -4.5771 -1.6829 -1.6795 -1.4283 -1.4239 -1.1286 -1.1256 0.9090 0.9096 1.9614 1.9636 2.3071 2.3081 3.9282 3.9325 4.2244 4.2319 4.4792 4.4859 4.7117 4.7199 5.0404 5.0460 5.3364 5.3387 5.5636 5.5659 6.2690 6.2827 6.4060 6.4212 6.7567 6.7688 7.0788 7.0846 7.5316 7.5476 8.3520 8.3604 8.8564 8.8629 9.1416 9.1464 11.4573 11.4662 11.7679 11.7772 12.2278 12.2382 12.4511 12.4608 12.8918 12.9063 k = 0.0000-0.0348 0.0306 ( 6591 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5853 -4.5852 -1.6459 -1.6426 -1.4363 -1.4321 -1.1315 -1.1291 0.8902 0.8907 1.9604 1.9620 2.3238 2.3246 3.9340 3.9374 4.2369 4.2433 4.4610 4.4678 4.6774 4.6849 5.0312 5.0355 5.3566 5.3586 5.5597 5.5616 6.2830 6.2954 6.4050 6.4190 6.7560 6.7670 7.0657 7.0707 7.4828 7.4951 8.3487 8.3549 8.8749 8.8797 9.1563 9.1599 11.4891 11.4968 11.7859 11.7937 12.2452 12.2546 12.5098 12.5207 12.9101 12.9227 k = 0.0000-0.0232 0.0204 ( 6598 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5910 -4.5909 -1.6127 -1.6099 -1.4490 -1.4455 -1.1325 -1.1308 0.8765 0.8768 1.9593 1.9603 2.3366 2.3372 3.9387 3.9410 4.2503 4.2551 4.4452 4.4510 4.6519 4.6577 5.0247 5.0277 5.3734 5.3749 5.5549 5.5564 6.2951 6.3048 6.4031 6.4142 6.7625 6.7710 7.0559 7.0599 7.4432 7.4516 8.3468 8.3509 8.8885 8.8917 9.1672 9.1697 11.5131 11.5187 11.8000 11.8056 12.2576 12.2648 12.5661 12.5762 12.9219 12.9316 k = 0.0000-0.0116 0.0102 ( 6601 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5945 -4.5944 -1.5870 -1.5850 -1.4622 -1.4599 -1.1324 -1.1316 0.8681 0.8683 1.9585 1.9591 2.3446 2.3449 3.9418 3.9430 4.2616 4.2643 4.4342 4.4376 4.6367 4.6399 5.0212 5.0227 5.3850 5.3858 5.5511 5.5519 6.3045 6.3101 6.4018 6.4081 6.7711 6.7759 7.0501 7.0524 7.4177 7.4220 8.3462 8.3482 8.8970 8.8986 9.1741 9.1754 11.5283 11.5313 11.8096 11.8125 12.2657 12.2696 12.6105 12.6169 12.9296 12.9351 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -62.4448 -62.4448 -34.8286 -34.8286 -31.4893 -31.4893 -31.4198 -31.4198 -4.5956 -4.5956 -1.5757 -1.5757 -1.4676 -1.4676 -1.1320 -1.1320 0.8654 0.8654 1.9584 1.9584 2.3474 2.3474 3.9433 3.9433 4.2671 4.2671 4.4312 4.4312 4.6327 4.6327 5.0205 5.0205 5.3894 5.3894 5.5498 5.5498 6.3100 6.3100 6.4033 6.4033 6.7765 6.7765 7.0490 7.0490 7.4101 7.4101 8.3466 8.3466 8.9004 8.9004 9.1769 9.1769 11.5345 11.5345 11.8139 11.8139 12.2697 12.2697 12.6301 12.6301 12.9342 12.9342 Writing output data file Si4P4Ru.save init_run : 5.60s CPU 13.28s WALL ( 1 calls) electrons : 1141.60s CPU 1152.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.51s CPU 1.89s WALL ( 1 calls) Called by electrons: c_bands : 1141.57s CPU 1151.85s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.27s CPU 0.64s WALL ( 1 calls) newd : 1.21s CPU 1.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.28s WALL ( 272 calls) cegterg : 1058.03s CPU 1064.04s WALL ( 606 calls) Called by sum_band: Called by *egterg: h_psi : 535.72s CPU 544.10s WALL ( 10975 calls) s_psi : 87.85s CPU 88.16s WALL ( 10975 calls) g_psi : 1.14s CPU 1.16s WALL ( 10097 calls) cdiaghg : 318.96s CPU 316.77s WALL ( 10369 calls) cegterg:over : 80.07s CPU 77.49s WALL ( 10097 calls) cegterg:upda : 25.34s CPU 28.39s WALL ( 10097 calls) cegterg:last : 19.75s CPU 20.40s WALL ( 1694 calls) Called by h_psi: h_psi:vloc : 377.82s CPU 383.71s WALL ( 10975 calls) h_psi:vnl : 157.37s CPU 159.24s WALL ( 10975 calls) add_vuspsi : 66.70s CPU 70.27s WALL ( 10975 calls) General routines calbec : 90.61s CPU 88.84s WALL ( 10975 calls) fft : 0.24s CPU 2.06s WALL ( 19 calls) ffts : 0.02s CPU 0.10s WALL ( 4 calls) fftw : 360.21s CPU 362.02s WALL ( 1263472 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 3.68s WALL ( 544 calls) Parallel routines fft_scatter : 209.19s CPU 208.89s WALL ( 1263495 calls) PWSCF : 20m14.89s CPU 23m 1.01s WALL This run was terminated on: 21:10:21 3Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=