Program PWSCF v.5.1.1 starts on 21Jun2016 at 0:27:56 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: ./RbMnTe2.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 229 65 18 8383 1260 192 Max 230 66 19 8385 1278 195 Sum 11027 3133 895 402441 60805 9285 bravais-lattice index = 14 lattice parameter (alat) = 15.4640 a.u. unit-cell volume = 1046.5684 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.463977 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.846168 celldm(5)= -0.846168 celldm(6)= 0.692337 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.692337 0.721575 0.000000 ) a(3) = ( -0.846168 -0.360787 0.392214 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.959481 1.274815 ) b(2) = ( 0.000000 1.385858 1.274815 ) b(3) = ( 0.000000 0.000000 2.549630 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 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 Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Rb read from file: /home/autes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 Mn 15.00 54.93800 Mn( 1.00) Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0000000 0.0000000 0.0260166), wk = 0.0033113 k( 3) = ( 0.0000000 0.0000000 0.0520333), wk = 0.0033113 k( 4) = ( 0.0000000 0.0000000 0.0780499), wk = 0.0033113 k( 5) = ( 0.0000000 0.0000000 0.1040665), wk = 0.0033113 k( 6) = ( 0.0000000 0.0000000 0.1300832), wk = 0.0033113 k( 7) = ( 0.0000000 0.0000000 0.1560998), wk = 0.0033113 k( 8) = ( 0.0000000 0.0000000 0.1821164), wk = 0.0033113 k( 9) = ( 0.0000000 0.0000000 0.2081331), wk = 0.0033113 k( 10) = ( 0.0000000 0.0000000 0.2341497), wk = 0.0033113 k( 11) = ( 0.0000000 0.0000000 0.2601664), wk = 0.0033113 k( 12) = ( 0.0000000 0.0000000 0.2861830), wk = 0.0033113 k( 13) = ( 0.0000000 0.0000000 0.3121996), wk = 0.0033113 k( 14) = ( 0.0000000 0.0000000 0.3382162), wk = 0.0033113 k( 15) = ( 0.0000000 0.0000000 0.3642329), wk = 0.0033113 k( 16) = ( 0.0000000 0.0000000 0.3902495), wk = 0.0033113 k( 17) = ( 0.0000000 0.0000000 0.4162662), wk = 0.0033113 k( 18) = ( 0.0000000 0.0000000 0.4422828), wk = 0.0033113 k( 19) = ( 0.0000000 0.0000000 0.4682994), wk = 0.0033113 k( 20) = ( 0.0000000 0.0000000 0.4943160), wk = 0.0033113 k( 21) = ( 0.0000000 0.0000000 0.5203327), wk = 0.0033113 k( 22) = ( 0.0000000 0.0000000 0.5463493), wk = 0.0033113 k( 23) = ( 0.0000000 0.0000000 0.5723660), wk = 0.0033113 k( 24) = ( 0.0000000 0.0000000 0.5983826), wk = 0.0033113 k( 25) = ( 0.0000000 0.0000000 0.6243992), wk = 0.0033113 k( 26) = ( 0.0000000 0.0000000 0.6504159), wk = 0.0033113 k( 27) = ( 0.0000000 0.0000000 0.6764325), wk = 0.0033113 k( 28) = ( 0.0000000 0.0000000 0.7024491), wk = 0.0033113 k( 29) = ( 0.0000000 0.0000000 0.7284658), wk = 0.0033113 k( 30) = ( 0.0000000 0.0000000 0.7544824), wk = 0.0033113 k( 31) = ( 0.0000000 0.0000000 0.7804990), wk = 0.0033113 k( 32) = ( 0.0000000 0.0000000 0.8065157), wk = 0.0033113 k( 33) = ( 0.0000000 0.0000000 0.8325323), wk = 0.0033113 k( 34) = ( 0.0000000 0.0000000 0.8585489), wk = 0.0033113 k( 35) = ( 0.0000000 0.0000000 0.8845656), wk = 0.0033113 k( 36) = ( 0.0000000 0.0000000 0.9105822), wk = 0.0033113 k( 37) = ( 0.0000000 0.0000000 0.9365988), wk = 0.0033113 k( 38) = ( 0.0000000 0.0000000 0.9626155), wk = 0.0033113 k( 39) = ( 0.0000000 0.0000000 0.9886321), wk = 0.0033113 k( 40) = ( 0.0000000 0.0000000 1.0146487), wk = 0.0033113 k( 41) = ( 0.0000000 0.0000000 1.0406654), wk = 0.0033113 k( 42) = ( 0.0000000 0.0000000 1.0666820), wk = 0.0033113 k( 43) = ( 0.0000000 0.0000000 1.0926986), wk = 0.0033113 k( 44) = ( 0.0000000 0.0000000 1.1187153), wk = 0.0033113 k( 45) = ( 0.0000000 0.0000000 1.1447319), wk = 0.0033113 k( 46) = ( 0.0000000 0.0000000 1.1707485), wk = 0.0033113 k( 47) = ( 0.0000000 0.0000000 1.1967652), wk = 0.0033113 k( 48) = ( 0.0000000 0.0000000 1.2227818), wk = 0.0033113 k( 49) = ( 0.0000000 0.0000000 1.2487984), wk = 0.0033113 k( 50) = ( 0.0000000 0.0000000 1.2748151), wk = 0.0033113 k( 51) = ( 0.0000000 0.0000000 1.2748151), wk = 0.0033113 k( 52) = ( -0.0090899 0.0213189 1.2748151), wk = 0.0033113 k( 53) = ( -0.0181798 0.0426378 1.2748151), wk = 0.0033113 k( 54) = ( -0.0272697 0.0639566 1.2748151), wk = 0.0033113 k( 55) = ( -0.0363596 0.0852755 1.2748151), wk = 0.0033113 k( 56) = ( -0.0454495 0.1065944 1.2748151), wk = 0.0033113 k( 57) = ( -0.0454495 0.1065944 1.2748151), wk = 0.0033113 k( 58) = ( -0.0525518 0.1232518 1.2567067), wk = 0.0033113 k( 59) = ( -0.0596542 0.1399093 1.2385983), wk = 0.0033113 k( 60) = ( -0.0667565 0.1565667 1.2204899), wk = 0.0033113 k( 61) = ( -0.0738589 0.1732241 1.2023816), wk = 0.0033113 k( 62) = ( -0.0809612 0.1898815 1.1842732), wk = 0.0033113 k( 63) = ( -0.0880636 0.2065389 1.1661649), wk = 0.0033113 k( 64) = ( -0.0951659 0.2231964 1.1480565), wk = 0.0033113 k( 65) = ( -0.1022683 0.2398538 1.1299481), wk = 0.0033113 k( 66) = ( -0.1093706 0.2565112 1.1118397), wk = 0.0033113 k( 67) = ( -0.1164730 0.2731686 1.0937314), wk = 0.0033113 k( 68) = ( -0.1235753 0.2898260 1.0756230), wk = 0.0033113 k( 69) = ( -0.1306777 0.3064835 1.0575146), wk = 0.0033113 k( 70) = ( -0.1377800 0.3231409 1.0394062), wk = 0.0033113 k( 71) = ( -0.1448824 0.3397983 1.0212979), wk = 0.0033113 k( 72) = ( -0.1519848 0.3564557 1.0031895), wk = 0.0033113 k( 73) = ( -0.1590871 0.3731131 0.9850811), wk = 0.0033113 k( 74) = ( -0.1661895 0.3897706 0.9669728), wk = 0.0033113 k( 75) = ( -0.1732918 0.4064280 0.9488644), wk = 0.0033113 k( 76) = ( -0.1803942 0.4230854 0.9307560), wk = 0.0033113 k( 77) = ( -0.1874965 0.4397428 0.9126477), wk = 0.0033113 k( 78) = ( -0.1945989 0.4564002 0.8945393), wk = 0.0033113 k( 79) = ( -0.2017012 0.4730577 0.8764309), wk = 0.0033113 k( 80) = ( -0.2088036 0.4897151 0.8583225), wk = 0.0033113 k( 81) = ( -0.2159059 0.5063725 0.8402142), wk = 0.0033113 k( 82) = ( -0.2230083 0.5230299 0.8221058), wk = 0.0033113 k( 83) = ( -0.2301106 0.5396874 0.8039974), wk = 0.0033113 k( 84) = ( -0.2372130 0.5563448 0.7858891), wk = 0.0033113 k( 85) = ( -0.2443153 0.5730022 0.7677807), wk = 0.0033113 k( 86) = ( -0.2514177 0.5896596 0.7496723), wk = 0.0033113 k( 87) = ( -0.2585200 0.6063170 0.7315639), wk = 0.0033113 k( 88) = ( -0.2656224 0.6229745 0.7134556), wk = 0.0033113 k( 89) = ( -0.2727247 0.6396319 0.6953472), wk = 0.0033113 k( 90) = ( -0.2727247 0.6396319 0.6953472), wk = 0.0033113 k( 91) = ( -0.2655478 0.6227995 0.6770486), wk = 0.0033113 k( 92) = ( -0.2583708 0.6059670 0.6587500), wk = 0.0033113 k( 93) = ( -0.2511938 0.5891346 0.6404514), wk = 0.0033113 k( 94) = ( -0.2440169 0.5723022 0.6221528), wk = 0.0033113 k( 95) = ( -0.2368399 0.5554698 0.6038541), wk = 0.0033113 k( 96) = ( -0.2296629 0.5386374 0.5855556), wk = 0.0033113 k( 97) = ( -0.2224860 0.5218050 0.5672569), wk = 0.0033113 k( 98) = ( -0.2153090 0.5049725 0.5489583), wk = 0.0033113 k( 99) = ( -0.2081320 0.4881401 0.5306597), wk = 0.0033113 k( 100) = ( -0.2009551 0.4713077 0.5123611), wk = 0.0033113 k( 101) = ( -0.1937781 0.4544753 0.4940625), wk = 0.0033113 k( 102) = ( -0.1866011 0.4376429 0.4757639), wk = 0.0033113 k( 103) = ( -0.1794242 0.4208105 0.4574653), wk = 0.0033113 k( 104) = ( -0.1722472 0.4039780 0.4391667), wk = 0.0033113 k( 105) = ( -0.1650702 0.3871456 0.4208681), wk = 0.0033113 k( 106) = ( -0.1578933 0.3703132 0.4025694), wk = 0.0033113 k( 107) = ( -0.1507163 0.3534808 0.3842708), wk = 0.0033113 k( 108) = ( -0.1435393 0.3366484 0.3659722), wk = 0.0033113 k( 109) = ( -0.1363624 0.3198160 0.3476736), wk = 0.0033113 k( 110) = ( -0.1291854 0.3029835 0.3293750), wk = 0.0033113 k( 111) = ( -0.1220084 0.2861511 0.3110764), wk = 0.0033113 k( 112) = ( -0.1148315 0.2693187 0.2927778), wk = 0.0033113 k( 113) = ( -0.1076545 0.2524863 0.2744792), wk = 0.0033113 k( 114) = ( -0.1004775 0.2356538 0.2561805), wk = 0.0033113 k( 115) = ( -0.0933006 0.2188214 0.2378819), wk = 0.0033113 k( 116) = ( -0.0861236 0.2019890 0.2195833), wk = 0.0033113 k( 117) = ( -0.0789466 0.1851566 0.2012847), wk = 0.0033113 k( 118) = ( -0.0717697 0.1683242 0.1829861), wk = 0.0033113 k( 119) = ( -0.0645927 0.1514918 0.1646875), wk = 0.0033113 k( 120) = ( -0.0574157 0.1346593 0.1463889), wk = 0.0033113 k( 121) = ( -0.0502388 0.1178269 0.1280903), wk = 0.0033113 k( 122) = ( -0.0430618 0.1009945 0.1097917), wk = 0.0033113 k( 123) = ( -0.0358848 0.0841621 0.0914930), wk = 0.0033113 k( 124) = ( -0.0287079 0.0673297 0.0731945), wk = 0.0033113 k( 125) = ( -0.0215309 0.0504973 0.0548958), wk = 0.0033113 k( 126) = ( -0.0143539 0.0336648 0.0365972), wk = 0.0033113 k( 127) = ( -0.0071770 0.0168324 0.0182986), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 130) = ( 0.0238095 0.0101518 0.0000000), wk = 0.0033113 k( 131) = ( 0.0476191 0.0203037 0.0000000), wk = 0.0033113 k( 132) = ( 0.0714286 0.0304555 0.0000000), wk = 0.0033113 k( 133) = ( 0.0952381 0.0406074 0.0000000), wk = 0.0033113 k( 134) = ( 0.1190476 0.0507592 0.0000000), wk = 0.0033113 k( 135) = ( 0.1428571 0.0609111 0.0000000), wk = 0.0033113 k( 136) = ( 0.1666667 0.0710629 0.0000000), wk = 0.0033113 k( 137) = ( 0.1904762 0.0812148 0.0000000), wk = 0.0033113 k( 138) = ( 0.2142857 0.0913666 0.0000000), wk = 0.0033113 k( 139) = ( 0.2380952 0.1015185 0.0000000), wk = 0.0033113 k( 140) = ( 0.2619048 0.1116703 0.0000000), wk = 0.0033113 k( 141) = ( 0.2857143 0.1218222 0.0000000), wk = 0.0033113 k( 142) = ( 0.3095238 0.1319740 0.0000000), wk = 0.0033113 k( 143) = ( 0.3333333 0.1421259 0.0000000), wk = 0.0033113 k( 144) = ( 0.3571429 0.1522777 0.0000000), wk = 0.0033113 k( 145) = ( 0.3809524 0.1624296 0.0000000), wk = 0.0033113 k( 146) = ( 0.4047619 0.1725814 0.0000000), wk = 0.0033113 k( 147) = ( 0.4285714 0.1827333 0.0000000), wk = 0.0033113 k( 148) = ( 0.4523810 0.1928851 0.0000000), wk = 0.0033113 k( 149) = ( 0.4761905 0.2030370 0.0000000), wk = 0.0033113 k( 150) = ( 0.5000000 0.2131888 0.0000000), wk = 0.0033113 k( 151) = ( 0.5000000 0.2131888 0.0000000), wk = 0.0033113 k( 152) = ( 0.4928977 0.2298462 0.0181084), wk = 0.0033113 k( 153) = ( 0.4857953 0.2465037 0.0362167), wk = 0.0033113 k( 154) = ( 0.4786929 0.2631611 0.0543251), wk = 0.0033113 k( 155) = ( 0.4715906 0.2798185 0.0724335), wk = 0.0033113 k( 156) = ( 0.4644882 0.2964759 0.0905419), wk = 0.0033113 k( 157) = ( 0.4573859 0.3131333 0.1086502), wk = 0.0033113 k( 158) = ( 0.4502835 0.3297908 0.1267586), wk = 0.0033113 k( 159) = ( 0.4431812 0.3464482 0.1448670), wk = 0.0033113 k( 160) = ( 0.4360788 0.3631056 0.1629753), wk = 0.0033113 k( 161) = ( 0.4289765 0.3797630 0.1810837), wk = 0.0033113 k( 162) = ( 0.4218741 0.3964205 0.1991921), wk = 0.0033113 k( 163) = ( 0.4147718 0.4130779 0.2173004), wk = 0.0033113 k( 164) = ( 0.4076694 0.4297353 0.2354088), wk = 0.0033113 k( 165) = ( 0.4005671 0.4463927 0.2535172), wk = 0.0033113 k( 166) = ( 0.3934647 0.4630501 0.2716256), wk = 0.0033113 k( 167) = ( 0.3863624 0.4797076 0.2897339), wk = 0.0033113 k( 168) = ( 0.3792600 0.4963650 0.3078423), wk = 0.0033113 k( 169) = ( 0.3721577 0.5130224 0.3259507), wk = 0.0033113 k( 170) = ( 0.3650553 0.5296798 0.3440590), wk = 0.0033113 k( 171) = ( 0.3579530 0.5463372 0.3621674), wk = 0.0033113 k( 172) = ( 0.3508506 0.5629947 0.3802758), wk = 0.0033113 k( 173) = ( 0.3437483 0.5796521 0.3983841), wk = 0.0033113 k( 174) = ( 0.3366459 0.5963095 0.4164925), wk = 0.0033113 k( 175) = ( 0.3295436 0.6129669 0.4346009), wk = 0.0033113 k( 176) = ( 0.3224412 0.6296244 0.4527093), wk = 0.0033113 k( 177) = ( 0.3153389 0.6462818 0.4708176), wk = 0.0033113 k( 178) = ( 0.3082365 0.6629392 0.4889260), wk = 0.0033113 k( 179) = ( 0.3011341 0.6795966 0.5070344), wk = 0.0033113 k( 180) = ( 0.2940318 0.6962540 0.5251428), wk = 0.0033113 k( 181) = ( 0.2869294 0.7129115 0.5432511), wk = 0.0033113 k( 182) = ( 0.2798271 0.7295689 0.5613595), wk = 0.0033113 k( 183) = ( 0.2727247 0.7462263 0.5794679), wk = 0.0033113 k( 184) = ( 0.2727247 0.7462263 0.5794679), wk = 0.0033113 k( 185) = ( 0.2479316 0.7413811 0.5847351), wk = 0.0033113 k( 186) = ( 0.2231384 0.7365359 0.5900024), wk = 0.0033113 k( 187) = ( 0.1983453 0.7316907 0.5952696), wk = 0.0033113 k( 188) = ( 0.1735521 0.7268455 0.6005368), wk = 0.0033113 k( 189) = ( 0.1487590 0.7220003 0.6058041), wk = 0.0033113 k( 190) = ( 0.1239658 0.7171551 0.6110713), wk = 0.0033113 k( 191) = ( 0.0991726 0.7123099 0.6163386), wk = 0.0033113 k( 192) = ( 0.0743795 0.7074647 0.6216058), wk = 0.0033113 k( 193) = ( 0.0495863 0.7026195 0.6268730), wk = 0.0033113 k( 194) = ( 0.0247932 0.6977743 0.6321403), wk = 0.0033113 k( 195) = ( 0.0000000 0.6929291 0.6374075), wk = 0.0033113 k( 196) = ( 0.0000000 0.6929291 0.6374075), wk = 0.0033113 k( 197) = ( 0.0071429 0.6761767 0.6556192), wk = 0.0033113 k( 198) = ( 0.0142857 0.6594243 0.6738308), wk = 0.0033113 k( 199) = ( 0.0214286 0.6426718 0.6920425), wk = 0.0033113 k( 200) = ( 0.0285714 0.6259194 0.7102541), wk = 0.0033113 k( 201) = ( 0.0357143 0.6091670 0.7284658), wk = 0.0033113 k( 202) = ( 0.0428571 0.5924146 0.7466774), wk = 0.0033113 k( 203) = ( 0.0500000 0.5756622 0.7648890), wk = 0.0033113 k( 204) = ( 0.0571429 0.5589097 0.7831007), wk = 0.0033113 k( 205) = ( 0.0642857 0.5421573 0.8013123), wk = 0.0033113 k( 206) = ( 0.0714286 0.5254049 0.8195240), wk = 0.0033113 k( 207) = ( 0.0785714 0.5086525 0.8377356), wk = 0.0033113 k( 208) = ( 0.0857143 0.4919001 0.8559473), wk = 0.0033113 k( 209) = ( 0.0928571 0.4751476 0.8741589), wk = 0.0033113 k( 210) = ( 0.1000000 0.4583952 0.8923705), wk = 0.0033113 k( 211) = ( 0.1071429 0.4416428 0.9105822), wk = 0.0033113 k( 212) = ( 0.1142857 0.4248904 0.9287938), wk = 0.0033113 k( 213) = ( 0.1214286 0.4081380 0.9470055), wk = 0.0033113 k( 214) = ( 0.1285714 0.3913855 0.9652171), wk = 0.0033113 k( 215) = ( 0.1357143 0.3746331 0.9834288), wk = 0.0033113 k( 216) = ( 0.1428571 0.3578807 1.0016404), wk = 0.0033113 k( 217) = ( 0.1500000 0.3411283 1.0198521), wk = 0.0033113 k( 218) = ( 0.1571429 0.3243759 1.0380637), wk = 0.0033113 k( 219) = ( 0.1642857 0.3076235 1.0562753), wk = 0.0033113 k( 220) = ( 0.1714286 0.2908710 1.0744870), wk = 0.0033113 k( 221) = ( 0.1785714 0.2741186 1.0926986), wk = 0.0033113 k( 222) = ( 0.1857143 0.2573662 1.1109103), wk = 0.0033113 k( 223) = ( 0.1928571 0.2406138 1.1291219), wk = 0.0033113 k( 224) = ( 0.2000000 0.2238613 1.1473336), wk = 0.0033113 k( 225) = ( 0.2071429 0.2071089 1.1655452), wk = 0.0033113 k( 226) = ( 0.2142857 0.1903565 1.1837568), wk = 0.0033113 k( 227) = ( 0.2214286 0.1736041 1.2019685), wk = 0.0033113 k( 228) = ( 0.2285714 0.1568517 1.2201801), wk = 0.0033113 k( 229) = ( 0.2357143 0.1400992 1.2383918), wk = 0.0033113 k( 230) = ( 0.2428571 0.1233468 1.2566034), wk = 0.0033113 k( 231) = ( 0.2500000 0.1065944 1.2748151), wk = 0.0033113 k( 232) = ( 0.2500000 0.1065944 1.2748151), wk = 0.0033113 k( 233) = ( 0.2708333 0.1154773 1.2651584), wk = 0.0033113 k( 234) = ( 0.2916667 0.1243601 1.2555019), wk = 0.0033113 k( 235) = ( 0.3125000 0.1332430 1.2458452), wk = 0.0033113 k( 236) = ( 0.3333333 0.1421259 1.2361886), wk = 0.0033113 k( 237) = ( 0.3541667 0.1510087 1.2265320), wk = 0.0033113 k( 238) = ( 0.3750000 0.1598916 1.2168754), wk = 0.0033113 k( 239) = ( 0.3958333 0.1687745 1.2072188), wk = 0.0033113 k( 240) = ( 0.4166667 0.1776574 1.1975622), wk = 0.0033113 k( 241) = ( 0.4375000 0.1865402 1.1879056), wk = 0.0033113 k( 242) = ( 0.4583333 0.1954231 1.1782490), wk = 0.0033113 k( 243) = ( 0.4791667 0.2043060 1.1685924), wk = 0.0033113 k( 244) = ( 0.5000000 0.2131888 1.1589357), wk = 0.0033113 k( 245) = ( 0.5000000 0.2131888 1.1589357), wk = 0.0033113 k( 246) = ( 0.5000000 0.2131888 1.1331816), wk = 0.0033113 k( 247) = ( 0.5000000 0.2131888 1.1074275), wk = 0.0033113 k( 248) = ( 0.5000000 0.2131888 1.0816733), wk = 0.0033113 k( 249) = ( 0.5000000 0.2131888 1.0559192), wk = 0.0033113 k( 250) = ( 0.5000000 0.2131888 1.0301651), wk = 0.0033113 k( 251) = ( 0.5000000 0.2131888 1.0044110), wk = 0.0033113 k( 252) = ( 0.5000000 0.2131888 0.9786568), wk = 0.0033113 k( 253) = ( 0.5000000 0.2131888 0.9529027), wk = 0.0033113 k( 254) = ( 0.5000000 0.2131888 0.9271486), wk = 0.0033113 k( 255) = ( 0.5000000 0.2131888 0.9013945), wk = 0.0033113 k( 256) = ( 0.5000000 0.2131888 0.8756403), wk = 0.0033113 k( 257) = ( 0.5000000 0.2131888 0.8498862), wk = 0.0033113 k( 258) = ( 0.5000000 0.2131888 0.8241321), wk = 0.0033113 k( 259) = ( 0.5000000 0.2131888 0.7983779), wk = 0.0033113 k( 260) = ( 0.5000000 0.2131888 0.7726238), wk = 0.0033113 k( 261) = ( 0.5000000 0.2131888 0.7468697), wk = 0.0033113 k( 262) = ( 0.5000000 0.2131888 0.7211156), wk = 0.0033113 k( 263) = ( 0.5000000 0.2131888 0.6953614), wk = 0.0033113 k( 264) = ( 0.5000000 0.2131888 0.6696073), wk = 0.0033113 k( 265) = ( 0.5000000 0.2131888 0.6438532), wk = 0.0033113 k( 266) = ( 0.5000000 0.2131888 0.6180991), wk = 0.0033113 k( 267) = ( 0.5000000 0.2131888 0.5923449), wk = 0.0033113 k( 268) = ( 0.5000000 0.2131888 0.5665908), wk = 0.0033113 k( 269) = ( 0.5000000 0.2131888 0.5408367), wk = 0.0033113 k( 270) = ( 0.5000000 0.2131888 0.5150826), wk = 0.0033113 k( 271) = ( 0.5000000 0.2131888 0.4893284), wk = 0.0033113 k( 272) = ( 0.5000000 0.2131888 0.4635743), wk = 0.0033113 k( 273) = ( 0.5000000 0.2131888 0.4378202), wk = 0.0033113 k( 274) = ( 0.5000000 0.2131888 0.4120660), wk = 0.0033113 k( 275) = ( 0.5000000 0.2131888 0.3863119), wk = 0.0033113 k( 276) = ( 0.5000000 0.2131888 0.3605578), wk = 0.0033113 k( 277) = ( 0.5000000 0.2131888 0.3348037), wk = 0.0033113 k( 278) = ( 0.5000000 0.2131888 0.3090495), wk = 0.0033113 k( 279) = ( 0.5000000 0.2131888 0.2832954), wk = 0.0033113 k( 280) = ( 0.5000000 0.2131888 0.2575413), wk = 0.0033113 k( 281) = ( 0.5000000 0.2131888 0.2317872), wk = 0.0033113 k( 282) = ( 0.5000000 0.2131888 0.2060330), wk = 0.0033113 k( 283) = ( 0.5000000 0.2131888 0.1802789), wk = 0.0033113 k( 284) = ( 0.5000000 0.2131888 0.1545248), wk = 0.0033113 k( 285) = ( 0.5000000 0.2131888 0.1287706), wk = 0.0033113 k( 286) = ( 0.5000000 0.2131888 0.1030165), wk = 0.0033113 k( 287) = ( 0.5000000 0.2131888 0.0772624), wk = 0.0033113 k( 288) = ( 0.5000000 0.2131888 0.0515083), wk = 0.0033113 k( 289) = ( 0.5000000 0.2131888 0.0257541), wk = 0.0033113 k( 290) = ( 0.5000000 0.2131888 0.0000000), wk = 0.0033113 k( 291) = ( 0.0000000 0.0000000 1.2748151), wk = 0.0033113 k( 292) = ( 0.0227273 0.0096904 1.2748151), wk = 0.0033113 k( 293) = ( 0.0454546 0.0193808 1.2748151), wk = 0.0033113 k( 294) = ( 0.0681818 0.0290712 1.2748151), wk = 0.0033113 k( 295) = ( 0.0909091 0.0387616 1.2748151), wk = 0.0033113 k( 296) = ( 0.1136364 0.0484520 1.2748151), wk = 0.0033113 k( 297) = ( 0.1363636 0.0581424 1.2748151), wk = 0.0033113 k( 298) = ( 0.1590909 0.0678328 1.2748151), wk = 0.0033113 k( 299) = ( 0.1818182 0.0775232 1.2748151), wk = 0.0033113 k( 300) = ( 0.2045454 0.0872136 1.2748151), wk = 0.0033113 k( 301) = ( 0.2272727 0.0969040 1.2748151), wk = 0.0033113 k( 302) = ( 0.2500000 0.1065944 1.2748151), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0033113 k( 3) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0033113 k( 4) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0033113 k( 5) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0033113 k( 6) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0033113 k( 7) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0033113 k( 8) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033113 k( 9) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0033113 k( 10) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0033113 k( 11) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0033113 k( 12) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0033113 k( 13) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0033113 k( 14) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0033113 k( 15) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033113 k( 16) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0033113 k( 17) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0033113 k( 18) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0033113 k( 19) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0033113 k( 20) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0033113 k( 21) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0033113 k( 22) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033113 k( 23) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0033113 k( 24) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0033113 k( 25) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0033113 k( 26) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0033113 k( 27) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0033113 k( 28) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0033113 k( 29) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033113 k( 30) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0033113 k( 31) = ( 0.0000000 0.0000000 0.3061225), wk = 0.0033113 k( 32) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0033113 k( 33) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0033113 k( 34) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0033113 k( 35) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0033113 k( 36) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033113 k( 37) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0033113 k( 38) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0033113 k( 39) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0033113 k( 40) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0033113 k( 41) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0033113 k( 42) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0033113 k( 43) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033113 k( 44) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0033113 k( 45) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0033113 k( 46) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0033113 k( 47) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0033113 k( 48) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0033113 k( 49) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0033113 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 52) = ( -0.0090899 0.0090899 0.5000000), wk = 0.0033113 k( 53) = ( -0.0181798 0.0181798 0.5000000), wk = 0.0033113 k( 54) = ( -0.0272697 0.0272697 0.5000000), wk = 0.0033113 k( 55) = ( -0.0363596 0.0363596 0.5000000), wk = 0.0033113 k( 56) = ( -0.0454495 0.0454495 0.5000000), wk = 0.0033113 k( 57) = ( -0.0454495 0.0454495 0.5000000), wk = 0.0033113 k( 58) = ( -0.0525518 0.0525518 0.4928977), wk = 0.0033113 k( 59) = ( -0.0596542 0.0596542 0.4857953), wk = 0.0033113 k( 60) = ( -0.0667565 0.0667565 0.4786929), wk = 0.0033113 k( 61) = ( -0.0738589 0.0738589 0.4715906), wk = 0.0033113 k( 62) = ( -0.0809612 0.0809612 0.4644882), wk = 0.0033113 k( 63) = ( -0.0880636 0.0880636 0.4573859), wk = 0.0033113 k( 64) = ( -0.0951659 0.0951659 0.4502835), wk = 0.0033113 k( 65) = ( -0.1022683 0.1022683 0.4431812), wk = 0.0033113 k( 66) = ( -0.1093706 0.1093706 0.4360788), wk = 0.0033113 k( 67) = ( -0.1164730 0.1164730 0.4289765), wk = 0.0033113 k( 68) = ( -0.1235753 0.1235753 0.4218741), wk = 0.0033113 k( 69) = ( -0.1306777 0.1306777 0.4147718), wk = 0.0033113 k( 70) = ( -0.1377800 0.1377800 0.4076694), wk = 0.0033113 k( 71) = ( -0.1448824 0.1448824 0.4005671), wk = 0.0033113 k( 72) = ( -0.1519848 0.1519848 0.3934647), wk = 0.0033113 k( 73) = ( -0.1590871 0.1590871 0.3863624), wk = 0.0033113 k( 74) = ( -0.1661895 0.1661895 0.3792600), wk = 0.0033113 k( 75) = ( -0.1732918 0.1732918 0.3721577), wk = 0.0033113 k( 76) = ( -0.1803942 0.1803942 0.3650553), wk = 0.0033113 k( 77) = ( -0.1874965 0.1874965 0.3579530), wk = 0.0033113 k( 78) = ( -0.1945989 0.1945989 0.3508506), wk = 0.0033113 k( 79) = ( -0.2017012 0.2017012 0.3437483), wk = 0.0033113 k( 80) = ( -0.2088036 0.2088036 0.3366459), wk = 0.0033113 k( 81) = ( -0.2159059 0.2159059 0.3295436), wk = 0.0033113 k( 82) = ( -0.2230083 0.2230083 0.3224412), wk = 0.0033113 k( 83) = ( -0.2301106 0.2301106 0.3153389), wk = 0.0033113 k( 84) = ( -0.2372130 0.2372130 0.3082365), wk = 0.0033113 k( 85) = ( -0.2443153 0.2443153 0.3011341), wk = 0.0033113 k( 86) = ( -0.2514177 0.2514177 0.2940318), wk = 0.0033113 k( 87) = ( -0.2585200 0.2585200 0.2869294), wk = 0.0033113 k( 88) = ( -0.2656224 0.2656224 0.2798271), wk = 0.0033113 k( 89) = ( -0.2727247 0.2727247 0.2727247), wk = 0.0033113 k( 90) = ( -0.2727247 0.2727247 0.2727247), wk = 0.0033113 k( 91) = ( -0.2655478 0.2655478 0.2655478), wk = 0.0033113 k( 92) = ( -0.2583708 0.2583708 0.2583708), wk = 0.0033113 k( 93) = ( -0.2511938 0.2511938 0.2511938), wk = 0.0033113 k( 94) = ( -0.2440169 0.2440169 0.2440169), wk = 0.0033113 k( 95) = ( -0.2368399 0.2368399 0.2368399), wk = 0.0033113 k( 96) = ( -0.2296629 0.2296629 0.2296629), wk = 0.0033113 k( 97) = ( -0.2224860 0.2224860 0.2224860), wk = 0.0033113 k( 98) = ( -0.2153090 0.2153090 0.2153090), wk = 0.0033113 k( 99) = ( -0.2081320 0.2081320 0.2081320), wk = 0.0033113 k( 100) = ( -0.2009551 0.2009551 0.2009551), wk = 0.0033113 k( 101) = ( -0.1937781 0.1937781 0.1937781), wk = 0.0033113 k( 102) = ( -0.1866011 0.1866011 0.1866011), wk = 0.0033113 k( 103) = ( -0.1794242 0.1794242 0.1794242), wk = 0.0033113 k( 104) = ( -0.1722472 0.1722472 0.1722472), wk = 0.0033113 k( 105) = ( -0.1650702 0.1650702 0.1650702), wk = 0.0033113 k( 106) = ( -0.1578933 0.1578933 0.1578933), wk = 0.0033113 k( 107) = ( -0.1507163 0.1507163 0.1507163), wk = 0.0033113 k( 108) = ( -0.1435393 0.1435393 0.1435393), wk = 0.0033113 k( 109) = ( -0.1363624 0.1363624 0.1363624), wk = 0.0033113 k( 110) = ( -0.1291854 0.1291854 0.1291854), wk = 0.0033113 k( 111) = ( -0.1220084 0.1220084 0.1220084), wk = 0.0033113 k( 112) = ( -0.1148315 0.1148315 0.1148315), wk = 0.0033113 k( 113) = ( -0.1076545 0.1076545 0.1076545), wk = 0.0033113 k( 114) = ( -0.1004775 0.1004775 0.1004775), wk = 0.0033113 k( 115) = ( -0.0933006 0.0933006 0.0933006), wk = 0.0033113 k( 116) = ( -0.0861236 0.0861236 0.0861236), wk = 0.0033113 k( 117) = ( -0.0789466 0.0789466 0.0789466), wk = 0.0033113 k( 118) = ( -0.0717697 0.0717697 0.0717697), wk = 0.0033113 k( 119) = ( -0.0645927 0.0645927 0.0645927), wk = 0.0033113 k( 120) = ( -0.0574157 0.0574157 0.0574157), wk = 0.0033113 k( 121) = ( -0.0502388 0.0502388 0.0502388), wk = 0.0033113 k( 122) = ( -0.0430618 0.0430618 0.0430618), wk = 0.0033113 k( 123) = ( -0.0358848 0.0358848 0.0358848), wk = 0.0033113 k( 124) = ( -0.0287079 0.0287079 0.0287079), wk = 0.0033113 k( 125) = ( -0.0215309 0.0215309 0.0215309), wk = 0.0033113 k( 126) = ( -0.0143539 0.0143539 0.0143539), wk = 0.0033113 k( 127) = ( -0.0071770 0.0071770 0.0071770), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 130) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0033113 k( 131) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0033113 k( 132) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0033113 k( 133) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0033113 k( 134) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0033113 k( 135) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0033113 k( 136) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0033113 k( 137) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0033113 k( 138) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0033113 k( 139) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0033113 k( 140) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0033113 k( 141) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0033113 k( 142) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0033113 k( 143) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0033113 k( 144) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0033113 k( 145) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0033113 k( 146) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0033113 k( 147) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0033113 k( 148) = ( 0.4523810 0.4523810 -0.4523809), wk = 0.0033113 k( 149) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0033113 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033113 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033113 k( 152) = ( 0.4928977 0.5071024 -0.4928977), wk = 0.0033113 k( 153) = ( 0.4857953 0.5142047 -0.4857953), wk = 0.0033113 k( 154) = ( 0.4786929 0.5213071 -0.4786929), wk = 0.0033113 k( 155) = ( 0.4715906 0.5284094 -0.4715906), wk = 0.0033113 k( 156) = ( 0.4644882 0.5355118 -0.4644882), wk = 0.0033113 k( 157) = ( 0.4573859 0.5426141 -0.4573859), wk = 0.0033113 k( 158) = ( 0.4502835 0.5497165 -0.4502835), wk = 0.0033113 k( 159) = ( 0.4431812 0.5568188 -0.4431812), wk = 0.0033113 k( 160) = ( 0.4360788 0.5639212 -0.4360788), wk = 0.0033113 k( 161) = ( 0.4289765 0.5710235 -0.4289765), wk = 0.0033113 k( 162) = ( 0.4218741 0.5781259 -0.4218741), wk = 0.0033113 k( 163) = ( 0.4147718 0.5852282 -0.4147718), wk = 0.0033113 k( 164) = ( 0.4076694 0.5923306 -0.4076694), wk = 0.0033113 k( 165) = ( 0.4005671 0.5994329 -0.4005671), wk = 0.0033113 k( 166) = ( 0.3934647 0.6065353 -0.3934647), wk = 0.0033113 k( 167) = ( 0.3863624 0.6136376 -0.3863624), wk = 0.0033113 k( 168) = ( 0.3792600 0.6207400 -0.3792600), wk = 0.0033113 k( 169) = ( 0.3721577 0.6278423 -0.3721577), wk = 0.0033113 k( 170) = ( 0.3650553 0.6349447 -0.3650553), wk = 0.0033113 k( 171) = ( 0.3579530 0.6420470 -0.3579530), wk = 0.0033113 k( 172) = ( 0.3508506 0.6491494 -0.3508506), wk = 0.0033113 k( 173) = ( 0.3437483 0.6562517 -0.3437483), wk = 0.0033113 k( 174) = ( 0.3366459 0.6633541 -0.3366459), wk = 0.0033113 k( 175) = ( 0.3295436 0.6704564 -0.3295435), wk = 0.0033113 k( 176) = ( 0.3224412 0.6775588 -0.3224412), wk = 0.0033113 k( 177) = ( 0.3153389 0.6846612 -0.3153389), wk = 0.0033113 k( 178) = ( 0.3082365 0.6917635 -0.3082365), wk = 0.0033113 k( 179) = ( 0.3011341 0.6988659 -0.3011341), wk = 0.0033113 k( 180) = ( 0.2940318 0.7059682 -0.2940318), wk = 0.0033113 k( 181) = ( 0.2869294 0.7130706 -0.2869294), wk = 0.0033113 k( 182) = ( 0.2798271 0.7201729 -0.2798271), wk = 0.0033113 k( 183) = ( 0.2727247 0.7272753 -0.2727247), wk = 0.0033113 k( 184) = ( 0.2727247 0.7272753 -0.2727247), wk = 0.0033113 k( 185) = ( 0.2479316 0.7066139 -0.2479316), wk = 0.0033113 k( 186) = ( 0.2231384 0.6859525 -0.2231384), wk = 0.0033113 k( 187) = ( 0.1983453 0.6652911 -0.1983453), wk = 0.0033113 k( 188) = ( 0.1735521 0.6446297 -0.1735521), wk = 0.0033113 k( 189) = ( 0.1487590 0.6239683 -0.1487589), wk = 0.0033113 k( 190) = ( 0.1239658 0.6033069 -0.1239658), wk = 0.0033113 k( 191) = ( 0.0991726 0.5826455 -0.0991726), wk = 0.0033113 k( 192) = ( 0.0743795 0.5619842 -0.0743795), wk = 0.0033113 k( 193) = ( 0.0495863 0.5413228 -0.0495863), wk = 0.0033113 k( 194) = ( 0.0247932 0.5206614 -0.0247932), wk = 0.0033113 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033113 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033113 k( 197) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0033113 k( 198) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0033113 k( 199) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0033113 k( 200) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0033113 k( 201) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0033113 k( 202) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0033113 k( 203) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0033113 k( 204) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0033113 k( 205) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0033113 k( 206) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0033113 k( 207) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0033113 k( 208) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0033113 k( 209) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0033113 k( 210) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0033113 k( 211) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0033113 k( 212) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0033113 k( 213) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0033113 k( 214) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0033113 k( 215) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0033113 k( 216) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0033113 k( 217) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0033113 k( 218) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0033113 k( 219) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0033113 k( 220) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0033113 k( 221) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0033113 k( 222) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0033113 k( 223) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0033113 k( 224) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0033113 k( 225) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0033113 k( 226) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0033113 k( 227) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0033113 k( 228) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0033113 k( 229) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0033113 k( 230) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0033113 k( 231) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033113 k( 232) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033113 k( 233) = ( 0.2708333 0.2708333 0.2253792), wk = 0.0033113 k( 234) = ( 0.2916667 0.2916667 0.2007584), wk = 0.0033113 k( 235) = ( 0.3125000 0.3125000 0.1761376), wk = 0.0033113 k( 236) = ( 0.3333333 0.3333333 0.1515168), wk = 0.0033113 k( 237) = ( 0.3541667 0.3541667 0.1268961), wk = 0.0033113 k( 238) = ( 0.3750000 0.3750000 0.1022753), wk = 0.0033113 k( 239) = ( 0.3958333 0.3958333 0.0776545), wk = 0.0033113 k( 240) = ( 0.4166667 0.4166667 0.0530337), wk = 0.0033113 k( 241) = ( 0.4375000 0.4375000 0.0284129), wk = 0.0033113 k( 242) = ( 0.4583333 0.4583333 0.0037921), wk = 0.0033113 k( 243) = ( 0.4791667 0.4791667 -0.0208287), wk = 0.0033113 k( 244) = ( 0.5000000 0.5000000 -0.0454495), wk = 0.0033113 k( 245) = ( 0.5000000 0.5000000 -0.0454495), wk = 0.0033113 k( 246) = ( 0.5000000 0.5000000 -0.0555506), wk = 0.0033113 k( 247) = ( 0.5000000 0.5000000 -0.0656517), wk = 0.0033113 k( 248) = ( 0.5000000 0.5000000 -0.0757528), wk = 0.0033113 k( 249) = ( 0.5000000 0.5000000 -0.0858540), wk = 0.0033113 k( 250) = ( 0.5000000 0.5000000 -0.0959551), wk = 0.0033113 k( 251) = ( 0.5000000 0.5000000 -0.1060562), wk = 0.0033113 k( 252) = ( 0.5000000 0.5000000 -0.1161573), wk = 0.0033113 k( 253) = ( 0.5000000 0.5000000 -0.1262585), wk = 0.0033113 k( 254) = ( 0.5000000 0.5000000 -0.1363596), wk = 0.0033113 k( 255) = ( 0.5000000 0.5000000 -0.1464607), wk = 0.0033113 k( 256) = ( 0.5000000 0.5000000 -0.1565618), wk = 0.0033113 k( 257) = ( 0.5000000 0.5000000 -0.1666629), wk = 0.0033113 k( 258) = ( 0.5000000 0.5000000 -0.1767641), wk = 0.0033113 k( 259) = ( 0.5000000 0.5000000 -0.1868652), wk = 0.0033113 k( 260) = ( 0.5000000 0.5000000 -0.1969663), wk = 0.0033113 k( 261) = ( 0.5000000 0.5000000 -0.2070674), wk = 0.0033113 k( 262) = ( 0.5000000 0.5000000 -0.2171686), wk = 0.0033113 k( 263) = ( 0.5000000 0.5000000 -0.2272697), wk = 0.0033113 k( 264) = ( 0.5000000 0.5000000 -0.2373708), wk = 0.0033113 k( 265) = ( 0.5000000 0.5000000 -0.2474719), wk = 0.0033113 k( 266) = ( 0.5000000 0.5000000 -0.2575730), wk = 0.0033113 k( 267) = ( 0.5000000 0.5000000 -0.2676742), wk = 0.0033113 k( 268) = ( 0.5000000 0.5000000 -0.2777753), wk = 0.0033113 k( 269) = ( 0.5000000 0.5000000 -0.2878764), wk = 0.0033113 k( 270) = ( 0.5000000 0.5000000 -0.2979775), wk = 0.0033113 k( 271) = ( 0.5000000 0.5000000 -0.3080787), wk = 0.0033113 k( 272) = ( 0.5000000 0.5000000 -0.3181798), wk = 0.0033113 k( 273) = ( 0.5000000 0.5000000 -0.3282809), wk = 0.0033113 k( 274) = ( 0.5000000 0.5000000 -0.3383820), wk = 0.0033113 k( 275) = ( 0.5000000 0.5000000 -0.3484832), wk = 0.0033113 k( 276) = ( 0.5000000 0.5000000 -0.3585843), wk = 0.0033113 k( 277) = ( 0.5000000 0.5000000 -0.3686854), wk = 0.0033113 k( 278) = ( 0.5000000 0.5000000 -0.3787865), wk = 0.0033113 k( 279) = ( 0.5000000 0.5000000 -0.3888876), wk = 0.0033113 k( 280) = ( 0.5000000 0.5000000 -0.3989888), wk = 0.0033113 k( 281) = ( 0.5000000 0.5000000 -0.4090899), wk = 0.0033113 k( 282) = ( 0.5000000 0.5000000 -0.4191910), wk = 0.0033113 k( 283) = ( 0.5000000 0.5000000 -0.4292921), wk = 0.0033113 k( 284) = ( 0.5000000 0.5000000 -0.4393933), wk = 0.0033113 k( 285) = ( 0.5000000 0.5000000 -0.4494944), wk = 0.0033113 k( 286) = ( 0.5000000 0.5000000 -0.4595955), wk = 0.0033113 k( 287) = ( 0.5000000 0.5000000 -0.4696966), wk = 0.0033113 k( 288) = ( 0.5000000 0.5000000 -0.4797977), wk = 0.0033113 k( 289) = ( 0.5000000 0.5000000 -0.4898989), wk = 0.0033113 k( 290) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033113 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 292) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0033113 k( 293) = ( 0.0454546 0.0454546 0.4545455), wk = 0.0033113 k( 294) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0033113 k( 295) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0033113 k( 296) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0033113 k( 297) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0033113 k( 298) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0033113 k( 299) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0033113 k( 300) = ( 0.2045454 0.2045455 0.2954546), wk = 0.0033113 k( 301) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0033113 k( 302) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033113 Dense grid: 402441 G-vectors FFT dimensions: ( 144, 144, 144) Smooth grid: 60805 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 336, 44) NL pseudopotentials 0.26 Mb ( 168, 100) Each V/rho on FFT grid 0.95 Mb ( 62208) Each G-vector array 0.06 Mb ( 8385) G-vector shells 0.03 Mb ( 3936) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 336, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 100, 2, 44) The potential is recalculated from file : ./RbMnTe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 48.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.4 secs Computing kpt #: 5 total cpu time spent up to now is 54.8 secs Computing kpt #: 6 total cpu time spent up to now is 58.1 secs Computing kpt #: 7 total cpu time spent up to now is 61.3 secs Computing kpt #: 8 total cpu time spent up to now is 64.6 secs Computing kpt #: 9 total cpu time spent up to now is 68.3 secs Computing kpt #: 10 total cpu time spent up to now is 72.1 secs Computing kpt #: 11 total cpu time spent up to now is 75.9 secs Computing kpt #: 12 total cpu time spent up to now is 79.7 secs Computing kpt #: 13 total cpu time spent up to now is 83.4 secs Computing kpt #: 14 total cpu time spent up to now is 87.2 secs Computing kpt #: 15 total cpu time spent up to now is 91.0 secs Computing kpt #: 16 total cpu time spent up to now is 94.8 secs Computing kpt #: 17 total cpu time spent up to now is 98.6 secs Computing kpt #: 18 total cpu time spent up to now is 103.3 secs Computing kpt #: 19 total cpu time spent up to now is 109.4 secs Computing kpt #: 20 total cpu time spent up to now is 113.3 secs Computing kpt #: 21 total cpu time spent up to now is 117.3 secs Computing kpt #: 22 total cpu time spent up to now is 121.1 secs Computing kpt #: 23 total cpu time spent up to now is 124.9 secs Computing kpt #: 24 total cpu time spent up to now is 128.8 secs Computing kpt #: 25 total cpu time spent up to now is 132.8 secs Computing kpt #: 26 total cpu time spent up to now is 136.8 secs Computing kpt #: 27 total cpu time spent up to now is 140.9 secs Computing kpt #: 28 total cpu time spent up to now is 145.5 secs Computing kpt #: 29 total cpu time spent up to now is 149.4 secs Computing kpt #: 30 total cpu time spent up to now is 153.4 secs Computing kpt #: 31 total cpu time spent up to now is 158.0 secs Computing kpt #: 32 total cpu time spent up to now is 162.6 secs Computing kpt #: 33 total cpu time spent up to now is 167.2 secs Computing kpt #: 34 total cpu time spent up to now is 171.9 secs Computing kpt #: 35 total cpu time spent up to now is 176.5 secs Computing kpt #: 36 total cpu time spent up to now is 180.8 secs Computing kpt #: 37 total cpu time spent up to now is 184.9 secs Computing kpt #: 38 total cpu time spent up to now is 188.9 secs Computing kpt #: 39 total cpu time spent up to now is 193.3 secs Computing kpt #: 40 total cpu time spent up to now is 197.4 secs Computing kpt #: 41 total cpu time spent up to now is 201.4 secs Computing kpt #: 42 total cpu time spent up to now is 205.5 secs Computing kpt #: 43 total cpu time spent up to now is 209.7 secs Computing kpt #: 44 total cpu time spent up to now is 213.5 secs Computing kpt #: 45 total cpu time spent up to now is 217.4 secs Computing kpt #: 46 total cpu time spent up to now is 221.4 secs Computing kpt #: 47 total cpu time spent up to now is 225.3 secs Computing kpt #: 48 total cpu time spent up to now is 229.1 secs Computing kpt #: 49 total cpu time spent up to now is 233.0 secs Computing kpt #: 50 total cpu time spent up to now is 236.8 secs Computing kpt #: 51 total cpu time spent up to now is 240.7 secs Computing kpt #: 52 total cpu time spent up to now is 244.4 secs Computing kpt #: 53 total cpu time spent up to now is 248.6 secs Computing kpt #: 54 total cpu time spent up to now is 252.6 secs Computing kpt #: 55 total cpu time spent up to now is 256.5 secs Computing kpt #: 56 total cpu time spent up to now is 260.4 secs Computing kpt #: 57 total cpu time spent up to now is 264.3 secs Computing kpt #: 58 total cpu time spent up to now is 268.1 secs Computing kpt #: 59 total cpu time spent up to now is 272.1 secs Computing kpt #: 60 total cpu time spent up to now is 276.0 secs Computing kpt #: 61 total cpu time spent up to now is 280.2 secs Computing kpt #: 62 total cpu time spent up to now is 284.1 secs Computing kpt #: 63 total cpu time spent up to now is 288.4 secs Computing kpt #: 64 total cpu time spent up to now is 293.1 secs Computing kpt #: 65 total cpu time spent up to now is 297.8 secs Computing kpt #: 66 total cpu time spent up to now is 301.9 secs Computing kpt #: 67 total cpu time spent up to now is 305.9 secs Computing kpt #: 68 total cpu time spent up to now is 310.6 secs Computing kpt #: 69 total cpu time spent up to now is 314.7 secs Computing kpt #: 70 total cpu time spent up to now is 318.6 secs Computing kpt #: 71 total cpu time spent up to now is 322.8 secs Computing kpt #: 72 total cpu time spent up to now is 326.8 secs Computing kpt #: 73 total cpu time spent up to now is 330.6 secs Computing kpt #: 74 total cpu time spent up to now is 334.8 secs Computing kpt #: 75 total cpu time spent up to now is 338.6 secs Computing kpt #: 76 total cpu time spent up to now is 342.4 secs Computing kpt #: 77 total cpu time spent up to now is 346.3 secs Computing kpt #: 78 total cpu time spent up to now is 350.2 secs Computing kpt #: 79 total cpu time spent up to now is 354.1 secs Computing kpt #: 80 total cpu time spent up to now is 358.0 secs Computing kpt #: 81 total cpu time spent up to now is 361.9 secs Computing kpt #: 82 total cpu time spent up to now is 365.8 secs Computing kpt #: 83 total cpu time spent up to now is 369.7 secs Computing kpt #: 84 total cpu time spent up to now is 373.7 secs Computing kpt #: 85 total cpu time spent up to now is 377.6 secs Computing kpt #: 86 total cpu time spent up to now is 381.5 secs Computing kpt #: 87 total cpu time spent up to now is 385.4 secs Computing kpt #: 88 total cpu time spent up to now is 389.3 secs Computing kpt #: 89 total cpu time spent up to now is 393.2 secs Computing kpt #: 90 total cpu time spent up to now is 397.1 secs Computing kpt #: 91 total cpu time spent up to now is 401.3 secs Computing kpt #: 92 total cpu time spent up to now is 408.0 secs Computing kpt #: 93 total cpu time spent up to now is 412.4 secs Computing kpt #: 94 total cpu time spent up to now is 416.5 secs Computing kpt #: 95 total cpu time spent up to now is 420.5 secs Computing kpt #: 96 total cpu time spent up to now is 424.5 secs Computing kpt #: 97 total cpu time spent up to now is 428.4 secs Computing kpt #: 98 total cpu time spent up to now is 432.3 secs Computing kpt #: 99 total cpu time spent up to now is 436.1 secs Computing kpt #: 100 total cpu time spent up to now is 440.1 secs Computing kpt #: 101 total cpu time spent up to now is 443.9 secs Computing kpt #: 102 total cpu time spent up to now is 447.9 secs Computing kpt #: 103 total cpu time spent up to now is 451.7 secs Computing kpt #: 104 total cpu time spent up to now is 455.5 secs Computing kpt #: 105 total cpu time spent up to now is 459.2 secs Computing kpt #: 106 total cpu time spent up to now is 463.0 secs Computing kpt #: 107 total cpu time spent up to now is 466.9 secs Computing kpt #: 108 total cpu time spent up to now is 470.8 secs Computing kpt #: 109 total cpu time spent up to now is 474.6 secs Computing kpt #: 110 total cpu time spent up to now is 478.5 secs Computing kpt #: 111 total cpu time spent up to now is 482.5 secs Computing kpt #: 112 total cpu time spent up to now is 486.3 secs Computing kpt #: 113 total cpu time spent up to now is 490.2 secs Computing kpt #: 114 total cpu time spent up to now is 494.0 secs Computing kpt #: 115 total cpu time spent up to now is 497.9 secs Computing kpt #: 116 total cpu time spent up to now is 501.7 secs Computing kpt #: 117 total cpu time spent up to now is 505.6 secs Computing kpt #: 118 total cpu time spent up to now is 509.7 secs Computing kpt #: 119 total cpu time spent up to now is 513.5 secs Computing kpt #: 120 total cpu time spent up to now is 517.3 secs Computing kpt #: 121 total cpu time spent up to now is 521.1 secs Computing kpt #: 122 total cpu time spent up to now is 524.9 secs Computing kpt #: 123 total cpu time spent up to now is 528.1 secs Computing kpt #: 124 total cpu time spent up to now is 531.3 secs Computing kpt #: 125 total cpu time spent up to now is 534.6 secs Computing kpt #: 126 total cpu time spent up to now is 537.7 secs Computing kpt #: 127 total cpu time spent up to now is 540.8 secs Computing kpt #: 128 total cpu time spent up to now is 544.1 secs Computing kpt #: 129 total cpu time spent up to now is 547.3 secs Computing kpt #: 130 total cpu time spent up to now is 550.5 secs Computing kpt #: 131 total cpu time spent up to now is 553.6 secs Computing kpt #: 132 total cpu time spent up to now is 556.8 secs Computing kpt #: 133 total cpu time spent up to now is 560.0 secs Computing kpt #: 134 total cpu time spent up to now is 563.3 secs Computing kpt #: 135 total cpu time spent up to now is 566.5 secs Computing kpt #: 136 total cpu time spent up to now is 570.3 secs Computing kpt #: 137 total cpu time spent up to now is 574.0 secs Computing kpt #: 138 total cpu time spent up to now is 577.8 secs Computing kpt #: 139 total cpu time spent up to now is 581.7 secs Computing kpt #: 140 total cpu time spent up to now is 585.7 secs Computing kpt #: 141 total cpu time spent up to now is 589.9 secs Computing kpt #: 142 total cpu time spent up to now is 594.7 secs Computing kpt #: 143 total cpu time spent up to now is 599.3 secs Computing kpt #: 144 total cpu time spent up to now is 604.0 secs Computing kpt #: 145 total cpu time spent up to now is 608.6 secs Computing kpt #: 146 total cpu time spent up to now is 613.2 secs Computing kpt #: 147 total cpu time spent up to now is 617.9 secs Computing kpt #: 148 total cpu time spent up to now is 622.5 secs Computing kpt #: 149 total cpu time spent up to now is 627.1 secs Computing kpt #: 150 total cpu time spent up to now is 631.6 secs Computing kpt #: 151 total cpu time spent up to now is 636.2 secs Computing kpt #: 152 total cpu time spent up to now is 640.8 secs Computing kpt #: 153 total cpu time spent up to now is 645.4 secs Computing kpt #: 154 total cpu time spent up to now is 649.9 secs Computing kpt #: 155 total cpu time spent up to now is 654.5 secs Computing kpt #: 156 total cpu time spent up to now is 659.2 secs Computing kpt #: 157 total cpu time spent up to now is 663.9 secs Computing kpt #: 158 total cpu time spent up to now is 668.5 secs Computing kpt #: 159 total cpu time spent up to now is 673.1 secs Computing kpt #: 160 total cpu time spent up to now is 677.4 secs Computing kpt #: 161 total cpu time spent up to now is 682.1 secs Computing kpt #: 162 total cpu time spent up to now is 686.3 secs Computing kpt #: 163 total cpu time spent up to now is 691.1 secs Computing kpt #: 164 total cpu time spent up to now is 695.6 secs Computing kpt #: 165 total cpu time spent up to now is 700.3 secs Computing kpt #: 166 total cpu time spent up to now is 706.8 secs Computing kpt #: 167 total cpu time spent up to now is 711.7 secs Computing kpt #: 168 total cpu time spent up to now is 716.4 secs Computing kpt #: 169 total cpu time spent up to now is 720.6 secs Computing kpt #: 170 total cpu time spent up to now is 724.8 secs Computing kpt #: 171 total cpu time spent up to now is 729.0 secs Computing kpt #: 172 total cpu time spent up to now is 733.1 secs Computing kpt #: 173 total cpu time spent up to now is 737.1 secs Computing kpt #: 174 total cpu time spent up to now is 741.1 secs Computing kpt #: 175 total cpu time spent up to now is 745.1 secs Computing kpt #: 176 total cpu time spent up to now is 749.2 secs Computing kpt #: 177 total cpu time spent up to now is 753.1 secs Computing kpt #: 178 total cpu time spent up to now is 757.1 secs Computing kpt #: 179 total cpu time spent up to now is 761.0 secs Computing kpt #: 180 total cpu time spent up to now is 765.0 secs Computing kpt #: 181 total cpu time spent up to now is 769.0 secs Computing kpt #: 182 total cpu time spent up to now is 772.9 secs Computing kpt #: 183 total cpu time spent up to now is 776.9 secs Computing kpt #: 184 total cpu time spent up to now is 780.9 secs Computing kpt #: 185 total cpu time spent up to now is 784.8 secs Computing kpt #: 186 total cpu time spent up to now is 788.7 secs Computing kpt #: 187 total cpu time spent up to now is 792.7 secs Computing kpt #: 188 total cpu time spent up to now is 796.7 secs Computing kpt #: 189 total cpu time spent up to now is 800.7 secs Computing kpt #: 190 total cpu time spent up to now is 804.6 secs Computing kpt #: 191 total cpu time spent up to now is 808.9 secs Computing kpt #: 192 total cpu time spent up to now is 812.8 secs Computing kpt #: 193 total cpu time spent up to now is 816.7 secs Computing kpt #: 194 total cpu time spent up to now is 820.6 secs Computing kpt #: 195 total cpu time spent up to now is 824.5 secs Computing kpt #: 196 total cpu time spent up to now is 828.4 secs Computing kpt #: 197 total cpu time spent up to now is 832.4 secs Computing kpt #: 198 total cpu time spent up to now is 836.3 secs Computing kpt #: 199 total cpu time spent up to now is 840.3 secs Computing kpt #: 200 total cpu time spent up to now is 844.3 secs Computing kpt #: 201 total cpu time spent up to now is 848.3 secs Computing kpt #: 202 total cpu time spent up to now is 852.3 secs Computing kpt #: 203 total cpu time spent up to now is 856.3 secs Computing kpt #: 204 total cpu time spent up to now is 860.3 secs Computing kpt #: 205 total cpu time spent up to now is 864.3 secs Computing kpt #: 206 total cpu time spent up to now is 868.2 secs Computing kpt #: 207 total cpu time spent up to now is 872.3 secs Computing kpt #: 208 total cpu time spent up to now is 876.3 secs Computing kpt #: 209 total cpu time spent up to now is 880.2 secs Computing kpt #: 210 total cpu time spent up to now is 884.0 secs Computing kpt #: 211 total cpu time spent up to now is 888.1 secs Computing kpt #: 212 total cpu time spent up to now is 892.1 secs Computing kpt #: 213 total cpu time spent up to now is 896.1 secs Computing kpt #: 214 total cpu time spent up to now is 900.0 secs Computing kpt #: 215 total cpu time spent up to now is 904.7 secs Computing kpt #: 216 total cpu time spent up to now is 908.7 secs Computing kpt #: 217 total cpu time spent up to now is 913.3 secs Computing kpt #: 218 total cpu time spent up to now is 917.9 secs Computing kpt #: 219 total cpu time spent up to now is 922.5 secs Computing kpt #: 220 total cpu time spent up to now is 926.6 secs Computing kpt #: 221 total cpu time spent up to now is 931.2 secs Computing kpt #: 222 total cpu time spent up to now is 935.8 secs Computing kpt #: 223 total cpu time spent up to now is 940.4 secs Computing kpt #: 224 total cpu time spent up to now is 945.0 secs Computing kpt #: 225 total cpu time spent up to now is 949.6 secs Computing kpt #: 226 total cpu time spent up to now is 954.2 secs Computing kpt #: 227 total cpu time spent up to now is 958.8 secs Computing kpt #: 228 total cpu time spent up to now is 963.4 secs Computing kpt #: 229 total cpu time spent up to now is 968.0 secs Computing kpt #: 230 total cpu time spent up to now is 972.2 secs Computing kpt #: 231 total cpu time spent up to now is 976.2 secs Computing kpt #: 232 total cpu time spent up to now is 980.4 secs Computing kpt #: 233 total cpu time spent up to now is 984.5 secs Computing kpt #: 234 total cpu time spent up to now is 988.7 secs Computing kpt #: 235 total cpu time spent up to now is 993.3 secs Computing kpt #: 236 total cpu time spent up to now is 997.4 secs Computing kpt #: 237 total cpu time spent up to now is 1001.9 secs Computing kpt #: 238 total cpu time spent up to now is 1006.9 secs Computing kpt #: 239 total cpu time spent up to now is 1011.0 secs Computing kpt #: 240 total cpu time spent up to now is 1015.0 secs Computing kpt #: 241 total cpu time spent up to now is 1019.0 secs Computing kpt #: 242 total cpu time spent up to now is 1023.1 secs Computing kpt #: 243 total cpu time spent up to now is 1026.9 secs Computing kpt #: 244 total cpu time spent up to now is 1030.8 secs Computing kpt #: 245 total cpu time spent up to now is 1034.7 secs Computing kpt #: 246 total cpu time spent up to now is 1038.7 secs Computing kpt #: 247 total cpu time spent up to now is 1042.6 secs Computing kpt #: 248 total cpu time spent up to now is 1046.7 secs Computing kpt #: 249 total cpu time spent up to now is 1050.6 secs Computing kpt #: 250 total cpu time spent up to now is 1054.5 secs Computing kpt #: 251 total cpu time spent up to now is 1058.4 secs Computing kpt #: 252 total cpu time spent up to now is 1062.6 secs Computing kpt #: 253 total cpu time spent up to now is 1066.7 secs Computing kpt #: 254 total cpu time spent up to now is 1070.8 secs Computing kpt #: 255 total cpu time spent up to now is 1074.9 secs Computing kpt #: 256 total cpu time spent up to now is 1078.9 secs Computing kpt #: 257 total cpu time spent up to now is 1083.5 secs Computing kpt #: 258 total cpu time spent up to now is 1088.0 secs Computing kpt #: 259 total cpu time spent up to now is 1092.2 secs Computing kpt #: 260 total cpu time spent up to now is 1096.3 secs Computing kpt #: 261 total cpu time spent up to now is 1100.3 secs Computing kpt #: 262 total cpu time spent up to now is 1104.2 secs Computing kpt #: 263 total cpu time spent up to now is 1108.4 secs Computing kpt #: 264 total cpu time spent up to now is 1112.4 secs Computing kpt #: 265 total cpu time spent up to now is 1116.4 secs Computing kpt #: 266 total cpu time spent up to now is 1120.4 secs Computing kpt #: 267 total cpu time spent up to now is 1124.6 secs Computing kpt #: 268 total cpu time spent up to now is 1128.5 secs Computing kpt #: 269 total cpu time spent up to now is 1132.6 secs Computing kpt #: 270 total cpu time spent up to now is 1137.1 secs Computing kpt #: 271 total cpu time spent up to now is 1141.7 secs Computing kpt #: 272 total cpu time spent up to now is 1146.4 secs Computing kpt #: 273 total cpu time spent up to now is 1151.2 secs Computing kpt #: 274 total cpu time spent up to now is 1156.6 secs Computing kpt #: 275 total cpu time spent up to now is 1163.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.1 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.4 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1185.7 secs Computing kpt #: 279 total cpu time spent up to now is 1190.6 secs Computing kpt #: 280 total cpu time spent up to now is 1196.1 secs Computing kpt #: 281 total cpu time spent up to now is 1200.9 secs Computing kpt #: 282 total cpu time spent up to now is 1205.7 secs Computing kpt #: 283 total cpu time spent up to now is 1210.4 secs Computing kpt #: 284 total cpu time spent up to now is 1215.0 secs Computing kpt #: 285 total cpu time spent up to now is 1219.8 secs Computing kpt #: 286 total cpu time spent up to now is 1224.4 secs Computing kpt #: 287 total cpu time spent up to now is 1229.1 secs Computing kpt #: 288 total cpu time spent up to now is 1233.8 secs Computing kpt #: 289 total cpu time spent up to now is 1238.4 secs Computing kpt #: 290 total cpu time spent up to now is 1242.9 secs Computing kpt #: 291 total cpu time spent up to now is 1246.7 secs Computing kpt #: 292 total cpu time spent up to now is 1250.6 secs Computing kpt #: 293 total cpu time spent up to now is 1254.5 secs Computing kpt #: 294 total cpu time spent up to now is 1258.5 secs Computing kpt #: 295 total cpu time spent up to now is 1262.4 secs Computing kpt #: 296 total cpu time spent up to now is 1266.5 secs Computing kpt #: 297 total cpu time spent up to now is 1270.6 secs Computing kpt #: 298 total cpu time spent up to now is 1275.2 secs Computing kpt #: 299 total cpu time spent up to now is 1279.2 secs Computing kpt #: 300 total cpu time spent up to now is 1283.8 secs Computing kpt #: 301 total cpu time spent up to now is 1288.5 secs Computing kpt #: 302 total cpu time spent up to now is 1293.3 secs ethr = 2.78E-11, avg # of iterations = 34.7 total cpu time spent up to now is 1293.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7675 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6247 -7.6247 -6.8331 -6.8331 -6.7164 -6.7164 -6.4635 -6.4635 -5.7855 -5.7855 0.9073 0.9073 2.0659 2.0659 2.1961 2.1961 2.5847 2.5847 3.3156 3.3156 3.4823 3.4823 3.9656 3.9656 4.0066 4.0066 5.1767 5.1767 5.4767 5.4767 5.5510 5.5510 6.2764 6.2764 k = 0.0000 0.0000 0.0260 ( 7677 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6249 -7.6248 -6.8332 -6.8331 -6.7172 -6.7172 -6.4621 -6.4621 -5.7858 -5.7856 0.9061 0.9104 2.0615 2.0676 2.1923 2.1976 2.5791 2.5899 3.3132 3.3142 3.4780 3.4816 3.9657 3.9680 4.0045 4.0098 5.1693 5.1794 5.4693 5.4724 5.5448 5.5531 6.2862 6.2868 k = 0.0000 0.0000 0.0520 ( 7673 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6251 -7.6250 -6.8333 -6.8331 -6.7196 -6.7196 -6.4577 -6.4577 -5.7864 -5.7860 0.9069 0.9155 2.0548 2.0661 2.1867 2.1965 2.5732 2.5950 3.3069 3.3087 3.4688 3.4765 3.9679 3.9726 4.0037 4.0144 5.1574 5.1771 5.4516 5.4565 5.5342 5.5515 6.3152 6.3163 k = 0.0000 0.0000 0.0780 ( 7659 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6256 -7.6253 -6.8335 -6.8331 -6.7233 -6.7233 -6.4507 -6.4506 -5.7873 -5.7867 0.9095 0.9226 2.0460 2.0609 2.1799 2.1926 2.5670 2.5999 3.2968 3.2986 3.4554 3.4681 3.9714 3.9780 4.0049 4.0208 5.1414 5.1699 5.4256 5.4308 5.5200 5.5470 6.3611 6.3625 k = 0.0000 0.0000 0.1041 ( 7649 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0048 -43.0047 -42.9044 -42.9044 -22.9250 -22.9250 -7.6261 -7.6258 -6.8338 -6.8332 -6.7281 -6.7280 -6.4412 -6.4412 -5.7885 -5.7878 0.9139 0.9316 2.0351 2.0513 2.1728 2.1861 2.5604 2.6047 3.2824 3.2832 3.4388 3.4577 3.9750 3.9818 4.0100 4.0294 5.1219 5.1579 5.3933 5.3980 5.5035 5.5396 6.4208 6.4223 k = 0.0000 0.0000 0.1301 ( 7641 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9249 -22.9249 -7.6269 -7.6265 -6.8340 -6.8334 -6.7337 -6.7336 -6.4297 -6.4296 -5.7901 -5.7891 0.9200 0.9426 2.0223 2.0369 2.1659 2.1770 2.5535 2.6096 3.2624 3.2632 3.4205 3.4466 3.9780 3.9830 4.0193 4.0404 5.0993 5.1415 5.3565 5.3604 5.4857 5.5297 6.4913 6.4929 k = 0.0000 0.0000 0.1561 ( 7629 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9247 -22.9247 -7.6277 -7.6273 -6.8344 -6.8337 -6.7397 -6.7395 -6.4164 -6.4163 -5.7919 -5.7908 0.9276 0.9553 2.0074 2.0176 2.1595 2.1657 2.5462 2.6145 3.2361 3.2389 3.4018 3.4357 3.9802 3.9823 4.0314 4.0532 5.0741 5.1213 5.3164 5.3202 5.4671 5.5176 6.5704 6.5720 k = 0.0000 0.0000 0.1821 ( 7629 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9246 -22.9246 -7.6288 -7.6282 -6.8349 -6.8342 -6.7460 -6.7457 -6.4017 -6.4016 -5.7940 -5.7927 0.9365 0.9699 1.9905 1.9935 2.1527 2.1536 2.5387 2.6193 3.2047 3.2093 3.3835 3.4253 3.9806 3.9814 4.0450 4.0674 5.0469 5.0983 5.2741 5.2786 5.4483 5.5035 6.6562 6.6576 k = 0.0000 0.0000 0.2081 ( 7621 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9244 -22.9244 -7.6299 -7.6293 -6.8355 -6.8348 -6.7522 -6.7517 -6.3858 -6.3857 -5.7963 -5.7948 0.9465 0.9861 1.9653 1.9715 2.1383 2.1479 2.5311 2.6243 3.1689 3.1748 3.3661 3.4156 3.9784 3.9820 4.0591 4.0824 5.0180 5.0731 5.2302 5.2368 5.4295 5.4877 6.7470 6.7482 k = 0.0000 0.0000 0.2341 ( 7625 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9242 -22.9242 -7.6312 -7.6305 -6.8362 -6.8356 -6.7581 -6.7575 -6.3689 -6.3687 -5.7988 -5.7971 0.9574 1.0037 1.9335 1.9507 2.1230 2.1421 2.5234 2.6292 3.1296 3.1360 3.3496 3.4065 3.9758 3.9819 4.0733 4.0977 4.9878 5.0467 5.1852 5.1955 5.4107 5.4706 6.8418 6.8428 k = 0.0000 0.0000 0.2602 ( 7615 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9240 -22.9240 -7.6326 -7.6318 -6.8371 -6.8366 -6.7636 -6.7628 -6.3512 -6.3510 -5.8015 -5.7997 0.9689 1.0227 1.8987 1.9282 2.1071 2.1361 2.5157 2.6341 3.0876 3.0938 3.3339 3.3977 3.9729 3.9813 4.0874 4.1129 4.9565 5.0195 5.1396 5.1553 5.3918 5.4522 6.9392 6.9401 k = 0.0000 0.0000 0.2862 ( 7627 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9237 -22.9237 -7.6341 -7.6333 -6.8382 -6.8379 -6.7685 -6.7675 -6.3329 -6.3327 -5.8043 -5.8023 0.9805 1.0428 1.8613 1.9042 2.0911 2.1296 2.5080 2.6390 3.0435 3.0490 3.3187 3.3891 3.9697 3.9803 4.1010 4.1278 4.9240 4.9918 5.0941 5.1169 5.3726 5.4328 7.0386 7.0392 k = 0.0000 0.0000 0.3122 ( 7619 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9235 -22.9235 -7.6356 -7.6348 -6.8396 -6.8394 -6.7728 -6.7714 -6.3142 -6.3140 -5.8072 -5.8051 0.9920 1.0638 1.8220 1.8794 2.0750 2.1227 2.5004 2.6437 2.9980 3.0024 3.3039 3.3806 3.9664 3.9789 4.1142 4.1422 4.8904 4.9635 5.0497 5.0808 5.3531 5.4123 7.1388 7.1393 k = 0.0000 0.0000 0.3382 ( 7619 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9232 -22.9232 -7.6373 -7.6364 -6.8413 -6.8413 -6.7763 -6.7747 -6.2951 -6.2949 -5.8102 -5.8080 1.0028 1.0854 1.7814 1.8543 2.0592 2.1151 2.4930 2.6482 2.9516 2.9545 3.2894 3.3723 3.9628 3.9772 4.1267 4.1559 4.8556 4.9336 5.0076 5.0472 5.3331 5.3909 7.2390 7.2394 k = 0.0000 0.0000 0.3642 ( 7629 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9229 -22.9229 -7.6390 -7.6381 -6.8434 -6.8432 -6.7791 -6.7771 -6.2758 -6.2757 -5.8132 -5.8109 1.0125 1.1071 1.7398 1.8294 2.0436 2.1070 2.4856 2.6522 2.9051 2.9061 3.2750 3.3639 3.9590 3.9752 4.1387 4.1690 4.8198 4.9005 4.9699 5.0165 5.3125 5.3686 7.3384 7.3387 k = 0.0000 0.0000 0.3902 ( 7629 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9226 -22.9226 -7.6408 -7.6399 -6.8458 -6.8453 -6.7810 -6.7789 -6.2565 -6.2563 -5.8162 -5.8137 1.0204 1.1286 1.6981 1.8056 2.0285 2.0983 2.4782 2.6555 2.8580 2.8587 3.2608 3.3556 3.9551 3.9729 4.1500 4.1812 4.7829 4.8633 4.9379 4.9885 5.2911 5.3453 7.4361 7.4362 k = 0.0000 0.0000 0.4163 ( 7629 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9223 -22.9223 -7.6426 -7.6417 -6.8482 -6.8476 -6.7823 -6.7799 -6.2371 -6.2369 -5.8191 -5.8166 1.0260 1.1491 1.6569 1.7835 2.0139 2.0891 2.4709 2.6572 2.8115 2.8132 3.2467 3.3474 3.9510 3.9705 4.1607 4.1927 4.7453 4.8224 4.9113 4.9633 5.2690 5.3211 7.5309 7.5310 k = 0.0000 0.0000 0.4423 ( 7625 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0049 -43.0048 -42.9044 -42.9043 -22.9219 -22.9219 -7.6445 -7.6435 -6.8508 -6.8500 -6.7829 -6.7804 -6.2179 -6.2177 -5.8219 -5.8193 1.0288 1.1679 1.6172 1.7637 1.9998 2.0796 2.4632 2.6552 2.7689 2.7689 3.2327 3.3392 3.9469 3.9678 4.1708 4.2034 4.7073 4.7795 4.8885 4.9403 5.2459 5.2958 7.6219 7.6222 k = 0.0000 0.0000 0.4683 ( 7611 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9216 -22.9216 -7.6463 -7.6454 -6.8533 -6.8524 -6.7830 -6.7803 -6.1988 -6.1986 -5.8246 -5.8219 1.0283 1.1839 1.5801 1.7468 1.9865 2.0698 2.4551 2.6445 2.7265 2.7358 3.2189 3.3311 3.9426 3.9650 4.1803 4.2133 4.6692 4.7358 4.8683 4.9194 5.2218 5.2694 7.7081 7.7085 k = 0.0000 0.0000 0.4943 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9212 -22.9212 -7.6482 -7.6472 -6.8558 -6.8548 -6.7826 -6.7798 -6.1801 -6.1799 -5.8271 -5.8244 1.0242 1.1956 1.5469 1.7330 1.9741 2.0598 2.4462 2.6189 2.6867 2.7183 3.2052 3.3231 3.9382 3.9621 4.1893 4.2224 4.6313 4.6921 4.8497 4.9002 5.1966 5.2418 7.7884 7.7890 k = 0.0000 0.0000 0.5203 ( 7623 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9209 -22.9209 -7.6500 -7.6491 -6.8581 -6.8572 -6.7817 -6.7789 -6.1616 -6.1615 -5.8294 -5.8266 1.0164 1.2014 1.5194 1.7222 1.9628 2.0499 2.4358 2.5820 2.6504 2.7136 3.1916 3.3153 3.9338 3.9590 4.1977 4.2307 4.5937 4.6489 4.8324 4.8823 5.1702 5.2129 7.8615 7.8625 k = 0.0000 0.0000 0.5463 ( 7623 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9205 -22.9205 -7.6518 -7.6509 -6.8603 -6.8593 -6.7806 -6.7777 -6.1436 -6.1435 -5.8315 -5.8286 1.0049 1.1994 1.4992 1.7144 1.9529 2.0401 2.4234 2.5407 2.6183 2.7147 3.1782 3.3077 3.9294 3.9559 4.2057 4.2383 4.5569 4.6065 4.8159 4.8653 5.1426 5.1827 7.9266 7.9278 k = 0.0000 0.0000 0.5724 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9201 -22.9201 -7.6536 -7.6526 -6.8623 -6.8613 -6.7792 -6.7763 -6.1261 -6.1260 -5.8332 -5.8304 0.9901 1.1890 1.4870 1.7087 1.9446 2.0308 2.4083 2.4986 2.5914 2.7185 3.1649 3.3002 3.9251 3.9529 4.2132 4.2453 4.5209 4.5650 4.8000 4.8490 5.1137 5.1510 7.9826 7.9841 k = 0.0000 0.0000 0.5984 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9198 -22.9198 -7.6553 -7.6543 -6.8641 -6.8631 -6.7776 -6.7748 -6.1092 -6.1090 -5.8347 -5.8318 0.9725 1.1707 1.4820 1.7046 1.9383 2.0220 2.3902 2.4571 2.5703 2.7237 3.1518 3.2930 3.9208 3.9498 4.2204 4.2515 4.4858 4.5245 4.7843 4.8330 5.0834 5.1178 8.0289 8.0306 k = 0.0000 0.0000 0.6244 ( 7601 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9194 -22.9194 -7.6569 -7.6560 -6.8656 -6.8647 -6.7758 -6.7731 -6.0928 -6.0927 -5.8358 -5.8330 0.9525 1.1463 1.4824 1.7012 1.9342 2.0140 2.3693 2.4169 2.5548 2.7299 3.1389 3.2860 3.9166 3.9469 4.2271 4.2571 4.4519 4.4853 4.7686 4.8171 5.0517 5.0831 8.0650 8.0667 k = 0.0000 0.0000 0.6504 ( 7601 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9190 -22.9190 -7.6585 -7.6575 -6.8669 -6.8660 -6.7739 -6.7713 -6.0771 -6.0771 -5.8366 -5.8338 0.9308 1.1178 1.4860 1.6976 1.9325 2.0069 2.3464 2.3786 2.5442 2.7369 3.1261 3.2793 3.9126 3.9441 4.2335 4.2621 4.4191 4.4473 4.7526 4.8011 5.0185 5.0468 8.0906 8.0920 k = 0.0000 0.0000 0.6764 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9186 -22.9186 -7.6599 -7.6590 -6.8679 -6.8671 -6.7720 -6.7695 -6.0622 -6.0621 -5.8371 -5.8343 0.9079 1.0869 1.4910 1.6932 1.9332 2.0008 2.3226 2.3423 2.5378 2.7446 3.1135 3.2728 3.9088 3.9415 4.2395 4.2663 4.3876 4.4106 4.7363 4.7846 4.9839 5.0088 8.1056 8.1062 k = 0.0000 0.0000 0.7024 ( 7605 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9183 -22.9183 -7.6613 -7.6604 -6.8688 -6.8680 -6.7700 -6.7676 -6.0480 -6.0479 -5.8372 -5.8344 0.8844 1.0549 1.4961 1.6878 1.9361 1.9959 2.2989 2.3085 2.5345 2.7530 3.1011 3.2666 3.9053 3.9392 4.2451 4.2699 4.3574 4.3752 4.7193 4.7674 4.9479 4.9692 8.1084 8.1087 k = 0.0000 0.0000 0.7285 ( 7585 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9179 -22.9179 -7.6626 -7.6618 -6.8693 -6.8686 -6.7681 -6.7658 -6.0345 -6.0345 -5.8369 -5.8342 0.8607 1.0228 1.5004 1.6810 1.9406 1.9920 2.2760 2.2772 2.5339 2.7620 3.0888 3.2606 3.9022 3.9372 4.2504 4.2729 4.3287 4.3414 4.7016 4.7496 4.9105 4.9281 8.0957 8.0964 k = 0.0000 0.0000 0.7545 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9175 -22.9175 -7.6638 -7.6630 -6.8697 -6.8690 -6.7661 -6.7640 -6.0219 -6.0219 -5.8363 -5.8336 0.8372 0.9910 1.5036 1.6730 1.9461 1.9890 2.2487 2.2544 2.5353 2.7717 3.0766 3.2549 3.8994 3.9355 4.2553 4.2749 4.3014 4.3093 4.6832 4.7307 4.8718 4.8854 8.0625 8.0680 k = 0.0000 0.0000 0.7805 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9172 -22.9172 -7.6649 -7.6641 -6.8698 -6.8692 -6.7643 -6.7622 -6.0101 -6.0101 -5.8354 -5.8328 0.8142 0.9601 1.5054 1.6640 1.9520 1.9866 2.2233 2.2346 2.5384 2.7820 3.0646 3.2494 3.8970 3.9343 4.2598 4.2729 4.2757 4.2819 4.6639 4.7109 4.8321 4.8414 8.0160 8.0261 k = 0.0000 0.0000 0.8065 ( 7574 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9168 -22.9168 -7.6659 -7.6652 -6.8698 -6.8692 -6.7624 -6.7605 -5.9992 -5.9992 -5.8341 -5.8316 0.7921 0.9303 1.5058 1.6542 1.9575 1.9847 2.2012 2.2168 2.5430 2.7930 3.0528 3.2441 3.8951 3.9336 4.2477 4.2514 4.2640 4.2784 4.6438 4.6901 4.7914 4.7962 7.9666 7.9783 k = 0.0000 0.0000 0.8325 ( 7582 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9165 -22.9165 -7.6669 -7.6661 -6.8695 -6.8691 -6.7607 -6.7589 -5.9891 -5.9891 -5.8325 -5.8301 0.7710 0.9017 1.5051 1.6439 1.9620 1.9828 2.1824 2.2011 2.5490 2.8046 3.0411 3.2390 3.8938 3.9334 4.2203 4.2288 4.2675 4.2777 4.6230 4.6683 4.7500 4.7500 7.9190 7.9302 k = 0.0000 0.0000 0.8585 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9162 -22.9162 -7.6677 -7.6670 -6.8691 -6.8687 -6.7590 -6.7574 -5.9799 -5.9799 -5.8307 -5.8284 0.7512 0.8745 1.5036 1.6333 1.9650 1.9807 2.1670 2.1876 2.5561 2.8167 3.0296 3.2340 3.8931 3.9338 4.1943 4.2079 4.2703 4.2761 4.6017 4.6456 4.7030 4.7082 7.8748 7.8845 k = 0.0000 0.0000 0.8846 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9158 -22.9158 -7.6685 -7.6678 -6.8686 -6.8682 -6.7574 -6.7559 -5.9715 -5.9715 -5.8287 -5.8265 0.7327 0.8487 1.5014 1.6225 1.9663 1.9783 2.1549 2.1762 2.5644 2.8291 3.0185 3.2291 3.8931 3.9349 4.1701 4.1887 4.2724 4.2733 4.5801 4.6223 4.6555 4.6664 7.8344 7.8421 k = 0.0000 0.0000 0.9106 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0050 -42.9044 -42.9043 -22.9155 -22.9155 -7.6691 -7.6685 -6.8679 -6.8676 -6.7559 -6.7545 -5.9639 -5.9639 -5.8264 -5.8244 0.7156 0.8245 1.4988 1.6119 1.9659 1.9753 2.1459 2.1668 2.5736 2.8417 3.0078 3.2242 3.8937 3.9366 4.1476 4.1712 4.2689 4.2735 4.5581 4.5985 4.6080 4.6252 7.7979 7.8036 k = 0.0000 0.0000 0.9366 ( 7582 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9153 -22.9153 -7.6697 -7.6692 -6.8672 -6.8670 -6.7544 -6.7533 -5.9571 -5.9570 -5.8241 -5.8221 0.7000 0.8017 1.4962 1.6015 1.9640 1.9719 2.1393 2.1591 2.5837 2.8541 2.9979 3.2193 3.8952 3.9392 4.1270 4.1556 4.2628 4.2734 4.5356 4.5600 4.5755 4.5856 7.7650 7.7689 k = 0.0000 0.0000 0.9626 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9150 -22.9150 -7.6703 -7.6697 -6.8664 -6.8662 -6.7531 -6.7520 -5.9510 -5.9510 -5.8216 -5.8198 0.6859 0.7805 1.4938 1.5914 1.9612 1.9681 2.1345 2.1528 2.5947 2.8656 2.9893 3.2143 3.8974 3.9425 4.1083 4.1417 4.2546 4.2718 4.5109 4.5129 4.5499 4.5525 7.7355 7.7379 k = 0.0000 0.0000 0.9886 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9147 -22.9147 -7.6707 -7.6702 -6.8656 -6.8654 -6.7519 -6.7509 -5.9457 -5.9456 -5.8191 -5.8174 0.6735 0.7608 1.4917 1.5817 1.9579 1.9641 2.1310 2.1475 2.6065 2.8752 2.9831 3.2090 3.9005 3.9466 4.0917 4.1299 4.2443 4.2683 4.4667 4.4810 4.5219 4.5306 7.7091 7.7103 k = 0.0000 0.0000 1.0146 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9145 -22.9145 -7.6711 -7.6707 -6.8647 -6.8646 -6.7507 -6.7499 -5.9410 -5.9410 -5.8166 -5.8151 0.6626 0.7425 1.4902 1.5725 1.9544 1.9602 2.1283 2.1429 2.6191 2.8813 2.9806 3.2035 3.9045 3.9516 4.0771 4.1199 4.2318 4.2627 4.4216 4.4464 4.5018 4.5105 7.6856 7.6858 k = 0.0000 0.0000 1.0407 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9143 -22.9143 -7.6715 -7.6711 -6.8639 -6.8638 -6.7497 -6.7489 -5.9369 -5.9369 -5.8142 -5.8128 0.6532 0.7256 1.4892 1.5638 1.9512 1.9564 2.1258 2.1388 2.6323 2.8825 2.9832 3.1976 3.9095 3.9574 4.0647 4.1119 4.2175 4.2545 4.3782 4.4103 4.4865 4.4927 7.6643 7.6647 k = 0.0000 0.0000 1.0667 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9141 -22.9141 -7.6717 -7.6714 -6.8631 -6.8630 -6.7487 -6.7481 -5.9335 -5.9335 -5.8118 -5.8106 0.6454 0.7102 1.4889 1.5556 1.9484 1.9530 2.1235 2.1349 2.6463 2.8786 2.9907 3.1911 3.9155 3.9641 4.0546 4.1059 4.2016 4.2436 4.3370 4.3749 4.4745 4.4776 7.6455 7.6463 k = 0.0000 0.0000 1.0927 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9139 -22.9139 -7.6720 -7.6717 -6.8623 -6.8622 -6.7478 -6.7473 -5.9306 -5.9306 -5.8097 -5.8086 0.6391 0.6962 1.4892 1.5480 1.9461 1.9500 2.1212 2.1312 2.6607 2.8707 3.0022 3.1840 3.9224 3.9715 4.0467 4.1018 4.1848 4.2300 4.2984 4.3409 4.4650 4.4653 7.6292 7.6303 k = 0.0000 0.0000 1.1187 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9138 -22.9138 -7.6722 -7.6719 -6.8616 -6.8615 -6.7470 -6.7466 -5.9281 -5.9281 -5.8077 -5.8068 0.6343 0.6835 1.4902 1.5409 1.9444 1.9476 2.1190 2.1276 2.6758 2.8600 3.0161 3.1762 3.9304 3.9797 4.0409 4.0996 4.1679 4.2140 4.2633 4.3088 4.4558 4.4575 7.6153 7.6164 k = 0.0000 0.0000 1.1447 ( 7604 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9137 -22.9137 -7.6723 -7.6721 -6.8610 -6.8609 -6.7464 -6.7460 -5.9262 -5.9262 -5.8059 -5.8052 0.6309 0.6722 1.4919 1.5343 1.9432 1.9456 2.1168 2.1242 2.6912 2.8475 3.0314 3.1675 3.9394 3.9882 4.0373 4.0987 4.1521 4.1960 4.2323 4.2790 4.4488 4.4516 7.6036 7.6047 k = 0.0000 0.0000 1.1707 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6723 -6.8605 -6.8604 -6.7458 -6.7455 -5.9246 -5.9246 -5.8044 -5.8038 0.6290 0.6621 1.4941 1.5282 1.9424 1.9442 2.1149 2.1209 2.7070 2.8337 3.0474 3.1579 3.9493 3.9966 4.0354 4.0982 4.1386 4.1774 4.2063 4.2517 4.4439 4.4470 7.5942 7.5952 k = 0.0000 0.0000 1.1968 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6724 -6.8600 -6.8600 -6.7453 -6.7451 -5.9234 -5.9234 -5.8032 -5.8027 0.6285 0.6534 1.4968 1.5225 1.9420 1.9431 2.1134 2.1180 2.7231 2.8191 3.0634 3.1472 3.9600 4.0035 4.0356 4.0958 4.1289 4.1614 4.1852 4.2271 4.4407 4.4435 7.5870 7.5877 k = 0.0000 0.0000 1.2228 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6725 -6.8597 -6.8597 -6.7450 -6.7449 -5.9226 -5.9226 -5.8023 -5.8020 0.6293 0.6460 1.5001 1.5172 1.9418 1.9425 2.1124 2.1156 2.7394 2.8037 3.0793 3.1355 3.9712 4.0056 4.0400 4.0886 4.1246 4.1511 4.1699 4.2055 4.4388 4.4410 7.5819 7.5824 k = 0.0000 0.0000 1.2488 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8596 -6.8595 -6.7448 -6.7447 -5.9221 -5.9221 -5.8017 -5.8016 0.6315 0.6398 1.5037 1.5123 1.9417 1.9421 2.1121 2.1137 2.7557 2.7880 3.0946 3.1228 3.9825 4.0015 4.0495 4.0764 4.1262 4.1424 4.1658 4.1873 4.4381 4.4392 7.5788 7.5791 k = 0.0000 0.0000 1.2748 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8595 -6.7447 -6.7447 -5.9220 -5.9220 -5.8015 -5.8015 0.6350 0.6350 1.5078 1.5078 1.9418 1.9418 2.1125 2.1125 2.7719 2.7719 3.1091 3.1091 3.9931 3.9931 4.0624 4.0624 4.1329 4.1329 4.1734 4.1734 4.4382 4.4382 7.5779 7.5779 k = 0.0000 0.0000 1.2748 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8595 -6.7447 -6.7447 -5.9220 -5.9220 -5.8015 -5.8015 0.6350 0.6350 1.5078 1.5078 1.9418 1.9418 2.1125 2.1125 2.7719 2.7719 3.1091 3.1091 3.9931 3.9931 4.0624 4.0624 4.1329 4.1329 4.1734 4.1734 4.4382 4.4382 7.5779 7.5779 k =-0.0091 0.0213 1.2748 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8595 -6.7448 -6.7447 -5.9218 -5.9217 -5.8020 -5.8020 0.6344 0.6375 1.5063 1.5101 1.9422 1.9424 2.1049 2.1204 2.7693 2.7735 3.1062 3.1096 3.9908 3.9934 4.0552 4.0676 4.1248 4.1441 4.1731 4.1793 4.4383 4.4391 7.5808 7.5810 k =-0.0182 0.0426 1.2748 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6725 -6.8597 -6.8596 -6.7450 -6.7448 -5.9212 -5.9210 -5.8035 -5.8035 0.6357 0.6420 1.5054 1.5131 1.9435 1.9437 2.0974 2.1283 2.7658 2.7741 3.1006 3.1075 3.9859 3.9931 4.0503 4.0656 4.1262 4.1519 4.1817 4.1889 4.4392 4.4411 7.5896 7.5900 k =-0.0273 0.0640 1.2748 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6724 -6.8599 -6.8598 -6.7453 -6.7451 -5.9203 -5.9199 -5.8060 -5.8059 0.6389 0.6484 1.5051 1.5169 1.9457 1.9459 2.0902 2.1364 2.7613 2.7738 3.0926 3.1030 3.9781 3.9927 4.0485 4.0566 4.1366 4.1568 4.1975 4.2014 4.4410 4.4443 7.6042 7.6049 k =-0.0364 0.0853 1.2748 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6725 -7.6723 -6.8601 -6.8601 -6.7458 -6.7454 -5.9189 -5.9185 -5.8094 -5.8094 0.6439 0.6566 1.5053 1.5214 1.9480 1.9494 2.0834 2.1445 2.7560 2.7726 3.0822 3.0964 3.9687 3.9926 4.0452 4.0493 4.1514 4.1625 4.2157 4.2164 4.4437 4.4490 7.6245 7.6254 k =-0.0454 0.1066 1.2748 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6722 -6.8605 -6.8605 -6.7463 -6.7458 -5.9172 -5.9166 -5.8138 -5.8138 0.6508 0.6668 1.5060 1.5266 1.9505 1.9542 2.0773 2.1527 2.7499 2.7705 3.0695 3.0878 3.9589 3.9928 4.0344 4.0517 4.1678 4.1706 4.2335 4.2341 4.4476 4.4556 7.6502 7.6513 k =-0.0454 0.1066 1.2748 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6722 -6.8605 -6.8605 -6.7463 -6.7458 -5.9172 -5.9166 -5.8138 -5.8138 0.6508 0.6668 1.5060 1.5266 1.9505 1.9542 2.0773 2.1527 2.7499 2.7705 3.0695 3.0878 3.9589 3.9928 4.0344 4.0517 4.1678 4.1706 4.2335 4.2341 4.4476 4.4556 7.6502 7.6513 k =-0.0526 0.1233 1.2567 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9137 -22.9137 -7.6724 -7.6720 -6.8608 -6.8608 -6.7469 -6.7463 -5.9158 -5.9151 -5.8180 -5.8179 0.6572 0.6766 1.5066 1.5316 1.9522 1.9589 2.0737 2.1591 2.7406 2.7724 3.0543 3.0835 3.9505 3.9946 4.0265 4.0555 4.1681 4.1917 4.2370 4.2617 4.4515 4.4625 7.6745 7.6757 k =-0.0597 0.1399 1.2386 ( 7624 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9138 -22.9138 -7.6723 -7.6719 -6.8613 -6.8613 -6.7474 -6.7468 -5.9143 -5.9135 -5.8228 -5.8226 0.6645 0.6885 1.5070 1.5377 1.9529 1.9645 2.0722 2.1657 2.7276 2.7773 3.0348 3.0812 3.9423 3.9972 4.0213 4.0614 4.1671 4.2100 4.2486 4.2908 4.4566 4.4712 7.7028 7.7043 k =-0.0668 0.1566 1.2205 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9139 -22.9139 -7.6721 -7.6717 -6.8619 -6.8619 -6.7481 -6.7473 -5.9128 -5.9119 -5.8283 -5.8279 0.6726 0.7017 1.5076 1.5446 1.9526 1.9710 2.0734 2.1722 2.7140 2.7825 3.0138 3.0788 3.9359 3.9970 4.0226 4.0689 4.1664 4.2178 4.2733 4.3208 4.4628 4.4820 7.7351 7.7368 k =-0.0739 0.1732 1.2024 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9141 -22.9141 -7.6720 -7.6715 -6.8627 -6.8626 -6.7487 -6.7478 -5.9113 -5.9103 -5.8343 -5.8338 0.6816 0.7160 1.5085 1.5521 1.9510 1.9781 2.0775 2.1787 2.7006 2.7874 2.9923 3.0762 3.9316 3.9942 4.0302 4.0781 4.1661 4.2206 4.3045 4.3507 4.4702 4.4952 7.7713 7.7732 k =-0.0810 0.1899 1.1843 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9142 -22.9142 -7.6719 -7.6714 -6.8637 -6.8636 -6.7492 -6.7482 -5.9099 -5.9087 -5.8408 -5.8402 0.6911 0.7308 1.5098 1.5601 1.9484 1.9855 2.0846 2.1852 2.6877 2.7920 2.9708 3.0734 3.9294 3.9915 4.0415 4.0888 4.1661 4.2221 4.3371 4.3801 4.4794 4.5112 7.8112 7.8135 k =-0.0881 0.2065 1.1662 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9144 -22.9144 -7.6717 -7.6712 -6.8650 -6.8648 -6.7496 -6.7485 -5.9086 -5.9071 -5.8478 -5.8470 0.7011 0.7458 1.5115 1.5687 1.9452 1.9932 2.0944 2.1916 2.6756 2.7963 2.9498 3.0707 3.9291 3.9899 4.0555 4.1011 4.1665 4.2235 4.3688 4.4081 4.4908 4.5304 7.8547 7.8573 k =-0.0952 0.2232 1.1481 ( 7604 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9146 -22.9146 -7.6716 -7.6710 -6.8664 -6.8661 -6.7498 -6.7486 -5.9075 -5.9057 -5.8551 -5.8540 0.7111 0.7605 1.5137 1.5777 1.9418 2.0007 2.1065 2.1979 2.6644 2.8004 2.9300 3.0685 3.9307 3.9898 4.0717 4.1151 4.1675 4.2253 4.3976 4.4339 4.5061 4.5531 7.9015 7.9045 k =-0.1023 0.2399 1.1299 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9148 -22.9148 -7.6715 -7.6709 -6.8681 -6.8677 -6.7499 -6.7485 -5.9067 -5.9044 -5.8627 -5.8610 0.7208 0.7745 1.5166 1.5872 1.9388 2.0082 2.1206 2.2040 2.6543 2.8043 2.9121 3.0669 3.9336 3.9910 4.0901 4.1307 4.1693 4.2278 4.4223 4.4562 4.5271 4.5790 7.9515 7.9547 k =-0.1094 0.2565 1.1118 ( 7604 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9150 -22.9150 -7.6715 -7.6708 -6.8700 -6.8695 -6.7497 -6.7482 -5.9065 -5.9034 -5.8703 -5.8678 0.7301 0.7874 1.5202 1.5972 1.9364 2.0155 2.1359 2.2099 2.6452 2.8078 2.8971 3.0662 3.9377 3.9935 4.1106 4.1480 4.1718 4.2313 4.4427 4.4741 4.5546 4.6074 8.0040 8.0069 k =-0.1165 0.2732 1.0937 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9153 -22.9153 -7.6715 -7.6708 -6.8722 -6.8716 -6.7493 -6.7477 -5.9073 -5.9030 -5.8777 -5.8740 0.7386 0.7988 1.5244 1.6074 1.9351 2.0228 2.1519 2.2156 2.6372 2.8101 2.8863 3.0666 3.9426 3.9969 4.1331 4.1669 4.1756 4.2363 4.4598 4.4884 4.5868 4.6376 8.0550 8.0559 k =-0.1236 0.2898 1.0756 ( 7599 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9155 -22.9155 -7.6715 -7.6708 -6.8745 -6.8739 -6.7485 -6.7469 -5.9096 -5.9038 -5.8839 -5.8789 0.7462 0.8084 1.5293 1.6179 1.9349 2.0303 2.1678 2.2211 2.6303 2.8101 2.8815 3.0681 3.9481 4.0011 4.1575 4.1809 4.1869 4.2435 4.4744 4.5007 4.6218 4.6686 8.0588 8.0645 k =-0.1307 0.3065 1.0575 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9158 -22.9158 -7.6716 -7.6708 -6.8771 -6.8763 -6.7475 -6.7459 -5.9138 -5.9071 -5.8879 -5.8821 0.7526 0.8159 1.5347 1.6284 1.9363 2.0382 2.1831 2.2265 2.6246 2.8069 2.8838 3.0709 3.9538 4.0057 4.1811 4.1903 4.2073 4.2540 4.4872 4.5119 4.6577 4.6999 8.0170 8.0241 k =-0.1378 0.3231 1.0394 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9160 -22.9160 -7.6718 -7.6710 -6.8799 -6.8790 -6.7463 -6.7446 -5.9197 -5.9130 -5.8894 -5.8837 0.7577 0.8213 1.5405 1.6386 1.9391 2.0470 2.1968 2.2320 2.6201 2.8013 2.8926 3.0750 3.9596 4.0103 4.1933 4.2132 4.2279 4.2698 4.4985 4.5226 4.6938 4.7310 7.9660 7.9752 k =-0.1449 0.3398 1.0213 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9163 -22.9163 -7.6720 -7.6711 -6.8829 -6.8817 -6.7448 -6.7430 -5.9268 -5.9205 -5.8894 -5.8842 0.7615 0.8245 1.5464 1.6483 1.9437 2.0569 2.2087 2.2377 2.6172 2.7946 2.9066 3.0805 3.9654 4.0147 4.2039 4.2346 4.2535 4.2917 4.5088 4.5330 4.7293 4.7616 7.9113 7.9225 k =-0.1520 0.3565 1.0032 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9165 -22.9165 -7.6722 -7.6713 -6.8859 -6.8846 -6.7430 -6.7413 -5.9345 -5.9285 -5.8888 -5.8841 0.7640 0.8256 1.5521 1.6570 1.9498 2.0681 2.2186 2.2432 2.6160 2.7878 2.9244 3.0874 3.9708 4.0187 4.2161 4.2503 4.2859 4.3189 4.5179 4.5432 4.7639 4.7915 7.8542 7.8673 k =-0.1591 0.3731 0.9851 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9168 -22.9168 -7.6725 -7.6716 -6.8891 -6.8875 -6.7411 -6.7394 -5.9424 -5.9367 -5.8880 -5.8836 0.7652 0.8247 1.5574 1.6644 1.9576 2.0807 2.2270 2.2481 2.6167 2.7813 2.9450 3.0956 3.9759 4.0220 4.2303 4.2648 4.3219 4.3497 4.5262 4.5533 4.7972 4.8206 7.7959 7.8109 k =-0.1662 0.3898 0.9670 ( 7587 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9170 -22.9170 -7.6729 -7.6719 -6.8922 -6.8905 -6.7390 -6.7373 -5.9505 -5.9449 -5.8871 -5.8830 0.7653 0.8221 1.5622 1.6702 1.9667 2.0946 2.2348 2.2517 2.6193 2.7752 2.9678 3.1050 3.9805 4.0247 4.2464 4.2799 4.3605 4.3832 4.5338 4.5632 4.8287 4.8490 7.7373 7.7540 k =-0.1733 0.4064 0.9489 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9173 -22.9173 -7.6733 -7.6723 -6.8954 -6.8935 -6.7368 -6.7351 -5.9584 -5.9529 -5.8861 -5.8822 0.7643 0.8180 1.5664 1.6743 1.9771 2.1096 2.2421 2.2541 2.6236 2.7697 2.9922 3.1156 3.9845 4.0266 4.2642 4.2962 4.4011 4.4186 4.5405 4.5730 4.8580 4.8769 7.6788 7.6972 k =-0.1804 0.4231 0.9308 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9175 -22.9175 -7.6737 -7.6727 -6.8985 -6.8964 -6.7345 -6.7329 -5.9662 -5.9607 -5.8852 -5.8814 0.7625 0.8127 1.5699 1.6767 1.9881 2.1253 2.2474 2.2575 2.6293 2.7645 3.0173 3.1271 3.9880 4.0279 4.2835 4.3140 4.4434 4.4553 4.5465 4.5828 4.8851 4.9045 7.6211 7.6411 k =-0.1875 0.4397 0.9126 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9177 -22.9177 -7.6741 -7.6731 -6.9016 -6.8992 -6.7321 -6.7306 -5.9736 -5.9681 -5.8843 -5.8807 0.7599 0.8064 1.5727 1.6774 1.9994 2.1414 2.2480 2.2654 2.6360 2.7598 3.0428 3.1394 3.9910 4.0286 4.3040 4.3334 4.4870 4.4926 4.5519 4.5930 4.9100 4.9318 7.5646 7.5862 k =-0.1946 0.4564 0.8945 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9180 -22.9180 -7.6746 -7.6735 -6.9045 -6.9019 -6.7298 -6.7283 -5.9807 -5.9751 -5.8835 -5.8800 0.7569 0.7996 1.5748 1.6768 2.0103 2.1573 2.2459 2.2762 2.6434 2.7555 3.0681 3.1521 3.9934 4.0289 4.3252 4.3544 4.5287 4.5312 4.5567 4.6044 4.9331 4.9584 7.5097 7.5328 k =-0.2017 0.4731 0.8764 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9182 -22.9182 -7.6751 -7.6739 -6.9073 -6.9045 -6.7275 -6.7261 -5.9873 -5.9817 -5.8828 -5.8793 0.7536 0.7923 1.5764 1.6749 2.0205 2.1724 2.2433 2.2884 2.6510 2.7514 3.0926 3.1649 3.9954 4.0288 4.3468 4.3766 4.5590 4.5635 4.5738 4.6197 4.9549 4.9840 7.4567 7.4812 k =-0.2088 0.4897 0.8583 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9184 -22.9184 -7.6756 -7.6744 -6.9099 -6.9069 -6.7253 -6.7240 -5.9935 -5.9878 -5.8821 -5.8787 0.7501 0.7849 1.5774 1.6723 2.0296 2.1857 2.2416 2.3015 2.6585 2.7477 3.1161 3.1776 3.9969 4.0284 4.3684 4.3997 4.5635 4.5870 4.6128 4.6452 4.9757 5.0087 7.4060 7.4317 k =-0.2159 0.5064 0.8402 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9185 -22.9185 -7.6760 -7.6748 -6.9123 -6.9091 -6.7232 -6.7220 -5.9991 -5.9934 -5.8815 -5.8781 0.7467 0.7776 1.5781 1.6691 2.0375 2.1954 2.2424 2.3150 2.6657 2.7442 3.1380 3.1898 3.9981 4.0278 4.3896 4.4232 4.5662 4.6013 4.6476 4.6812 4.9959 5.0322 7.3580 7.3845 k =-0.2230 0.5230 0.8221 ( 7595 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9187 -22.9187 -7.6765 -7.6752 -6.9144 -6.9111 -6.7212 -6.7202 -6.0042 -5.9984 -5.8809 -5.8776 0.7434 0.7705 1.5785 1.6657 2.0440 2.2002 2.2473 2.3283 2.6724 2.7410 3.1581 3.2013 3.9990 4.0272 4.4102 4.4466 4.5682 4.6099 4.6794 4.7200 5.0159 5.0544 7.3130 7.3401 k =-0.2301 0.5397 0.8040 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9188 -22.9188 -7.6769 -7.6756 -6.9164 -6.9129 -6.7194 -6.7185 -6.0086 -6.0028 -5.8805 -5.8772 0.7405 0.7639 1.5786 1.6623 2.0494 2.2007 2.2556 2.3410 2.6785 2.7380 3.1761 3.2116 3.9996 4.0265 4.4297 4.4689 4.5698 4.6156 4.7078 4.7571 5.0358 5.0750 7.2718 7.2989 k =-0.2372 0.5563 0.7859 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9190 -22.9190 -7.6773 -7.6759 -6.9180 -6.9144 -6.7179 -6.7171 -6.0124 -6.0066 -5.8801 -5.8768 0.7381 0.7579 1.5786 1.6591 2.0536 2.1991 2.2650 2.3525 2.6839 2.7353 3.1919 3.2206 4.0000 4.0258 4.4479 4.4895 4.5711 4.6191 4.7322 4.7903 5.0556 5.0935 7.2349 7.2615 k =-0.2443 0.5730 0.7678 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6776 -7.6762 -6.9194 -6.9156 -6.7165 -6.7159 -6.0156 -6.0097 -5.8798 -5.8765 0.7361 0.7525 1.5785 1.6562 2.0568 2.1967 2.2739 2.3624 2.6885 2.7329 3.2053 3.2280 4.0003 4.0251 4.4641 4.5071 4.5729 4.6209 4.7523 4.8183 5.0749 5.1092 7.2032 7.2286 k =-0.2514 0.5897 0.7497 ( 7595 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6778 -7.6764 -6.9205 -6.9166 -6.7155 -6.7149 -6.0181 -6.0121 -5.8795 -5.8762 0.7348 0.7480 1.5784 1.6538 2.0592 2.1945 2.2814 2.3704 2.6924 2.7308 3.2162 3.2336 4.0004 4.0246 4.4782 4.5203 4.5759 4.6208 4.7678 4.8403 5.0931 5.1214 7.1775 7.2014 k =-0.2585 0.6063 0.7316 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6780 -7.6766 -6.9213 -6.9173 -6.7147 -6.7142 -6.0198 -6.0139 -5.8793 -5.8761 0.7341 0.7445 1.5783 1.6521 2.0608 2.1927 2.2870 2.3764 2.6953 2.7291 3.2243 3.2374 4.0006 4.0242 4.4893 4.5283 4.5806 4.6193 4.7789 4.8561 5.1089 5.1293 7.1586 7.1807 k =-0.2656 0.6230 0.7135 ( 7583 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6781 -7.6767 -6.9217 -6.9178 -6.7142 -6.7138 -6.0209 -6.0149 -5.8792 -5.8760 0.7338 0.7421 1.5782 1.6510 2.0618 2.1915 2.2906 2.3800 2.6971 2.7280 3.2296 3.2394 4.0006 4.0239 4.4969 4.5317 4.5857 4.6171 4.7854 4.8655 5.1212 5.1322 7.1470 7.1678 k =-0.2727 0.6396 0.6953 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6781 -7.6767 -6.9219 -6.9179 -6.7141 -6.7137 -6.0213 -6.0153 -5.8792 -5.8759 0.7338 0.7413 1.5782 1.6506 2.0621 2.1911 2.2917 2.3812 2.6978 2.7275 3.2314 3.2399 4.0006 4.0238 4.4996 4.5325 4.5880 4.6159 4.7876 4.8685 5.1276 5.1309 7.1431 7.1634 k =-0.2727 0.6396 0.6953 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6781 -7.6767 -6.9219 -6.9179 -6.7141 -6.7137 -6.0213 -6.0153 -5.8792 -5.8759 0.7338 0.7413 1.5782 1.6506 2.0621 2.1911 2.2917 2.3812 2.6978 2.7275 3.2314 3.2399 4.0006 4.0238 4.4996 4.5325 4.5880 4.6159 4.7876 4.8685 5.1276 5.1309 7.1431 7.1634 k =-0.2655 0.6228 0.6770 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6789 -7.6776 -6.9230 -6.9195 -6.7123 -6.7120 -6.0132 -6.0085 -5.8830 -5.8806 0.7237 0.7346 1.5737 1.6499 2.0526 2.1827 2.2891 2.3797 2.7050 2.7358 3.2314 3.2387 4.0019 4.0168 4.4850 4.5199 4.6015 4.6284 4.7966 4.8775 5.1110 5.1112 7.1663 7.1886 k =-0.2584 0.6060 0.6587 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6793 -7.6782 -6.9238 -6.9208 -6.7110 -6.7108 -6.0051 -6.0018 -5.8878 -5.8864 0.7175 0.7320 1.5701 1.6512 2.0417 2.1735 2.2869 2.3778 2.7121 2.7435 3.2318 3.2377 4.0036 4.0099 4.4714 4.5085 4.6135 4.6395 4.8062 4.8877 5.0924 5.0968 7.1936 7.2177 k =-0.2512 0.5891 0.6405 ( 7580 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6795 -7.6786 -6.9243 -6.9218 -6.7103 -6.7101 -5.9970 -5.9954 -5.8933 -5.8932 0.7151 0.7335 1.5674 1.6548 2.0293 2.1639 2.2849 2.3757 2.7190 2.7505 3.2326 3.2371 4.0030 4.0056 4.4597 4.4992 4.6230 4.6477 4.8164 4.8987 5.0759 5.0853 7.2243 7.2499 k =-0.2440 0.5723 0.6222 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6794 -7.6786 -6.9245 -6.9225 -6.7101 -6.7099 -5.9898 -5.9893 -5.9009 -5.8992 0.7165 0.7391 1.5651 1.6605 2.0157 2.1544 2.2832 2.3736 2.7256 2.7567 3.2337 3.2367 3.9964 4.0078 4.4503 4.4924 4.6293 4.6521 4.8271 4.9104 5.0624 5.0773 7.2576 7.2843 k =-0.2368 0.5555 0.6039 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6791 -7.6784 -6.9244 -6.9229 -6.7103 -6.7102 -5.9855 -5.9822 -5.9090 -5.9050 0.7215 0.7487 1.5630 1.6682 2.0010 2.1456 2.2817 2.3714 2.7317 2.7619 3.2350 3.2366 3.9902 4.0101 4.4434 4.4880 4.6317 4.6521 4.8385 4.9223 5.0528 5.0735 7.2928 7.3201 k =-0.2297 0.5386 0.5856 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6784 -7.6779 -6.9240 -6.9229 -6.7111 -6.7110 -5.9834 -5.9768 -5.9167 -5.9097 0.7301 0.7624 1.5606 1.6778 1.9855 2.1380 2.2804 2.3695 2.7374 2.7662 3.2366 3.2368 3.9847 4.0127 4.4391 4.4860 4.6298 4.6472 4.8506 4.9341 5.0482 5.0742 7.3289 7.3561 k =-0.2225 0.5218 0.5673 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9193 -22.9193 -7.6775 -7.6771 -6.9232 -6.9226 -6.7123 -6.7123 -5.9844 -5.9745 -5.9222 -5.9125 0.7421 0.7799 1.5575 1.6889 1.9698 2.1323 2.2795 2.3679 2.7426 2.7696 3.2374 3.2386 3.9799 4.0154 4.4373 4.4862 4.6234 4.6375 4.8638 4.9454 5.0492 5.0792 7.3649 7.3912 k =-0.2153 0.5050 0.5490 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9194 -22.9194 -7.6763 -7.6761 -6.9221 -6.9220 -6.7139 -6.7139 -5.9891 -5.9775 -5.9237 -5.9125 0.7572 0.8011 1.5532 1.7008 1.9545 2.1290 2.2790 2.3667 2.7476 2.7722 3.2385 3.2409 3.9761 4.0182 4.4379 4.4884 4.6126 4.6235 4.8782 4.9563 5.0558 5.0882 7.3994 7.4241 k =-0.2081 0.4881 0.5307 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9195 -22.9195 -7.6748 -7.6748 -6.9210 -6.9207 -6.7160 -6.7159 -5.9976 -5.9859 -5.9208 -5.9099 0.7752 0.8259 1.5471 1.7126 1.9408 2.1286 2.2791 2.3662 2.7521 2.7738 3.2399 3.2435 3.9732 4.0212 4.4407 4.4920 4.5975 4.6058 4.8936 4.9672 5.0671 5.1005 7.4312 7.4532 k =-0.2010 0.4713 0.5124 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9197 -22.9197 -7.6733 -7.6732 -6.9196 -6.9190 -6.7184 -6.7183 -6.0090 -5.9982 -5.9152 -5.9055 0.7956 0.8541 1.5390 1.7231 1.9302 2.1313 2.2802 2.3664 2.7566 2.7748 3.2418 3.2464 3.9713 4.0244 4.4454 4.4966 4.5788 4.5855 4.9103 4.9788 5.0823 5.1156 7.4586 7.4772 k =-0.1938 0.4545 0.4941 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9198 -22.9198 -7.6715 -7.6713 -6.9179 -6.9169 -6.7211 -6.7209 -6.0227 -6.0129 -5.9081 -5.8998 0.8182 0.8852 1.5286 1.7307 1.9242 2.1370 2.2829 2.3675 2.7610 2.7752 3.2442 3.2497 3.9704 4.0278 4.4520 4.5010 4.5570 4.5645 4.9279 4.9914 5.1002 5.1328 7.4800 7.4946 k =-0.1866 0.4376 0.4758 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9200 -22.9200 -7.6696 -7.6692 -6.9158 -6.9144 -6.7241 -6.7238 -6.0380 -6.0293 -5.9004 -5.8934 0.8423 0.9190 1.5161 1.7341 1.9245 2.1452 2.2877 2.3697 2.7657 2.7752 3.2471 3.2533 3.9703 4.0313 4.4602 4.5005 4.5329 4.5477 4.9464 5.0052 5.1201 5.1517 7.4940 7.5041 k =-0.1794 0.4208 0.4575 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9202 -22.9202 -7.6675 -7.6670 -6.9134 -6.9116 -6.7273 -6.7270 -6.0546 -6.0469 -5.8925 -5.8867 0.8675 0.9549 1.5018 1.7330 1.9315 2.1548 2.2960 2.3731 2.7707 2.7750 3.2505 3.2574 3.9712 4.0350 4.4692 4.4871 4.5079 4.5440 4.9657 5.0202 5.1415 5.1719 7.4993 7.5050 k =-0.1722 0.4040 0.4392 ( 7630 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9205 -22.9205 -7.6652 -7.6646 -6.9105 -6.9084 -6.7307 -6.7302 -6.0723 -6.0653 -5.8845 -5.8797 0.8929 0.9922 1.4864 1.7286 1.9443 2.1643 2.3087 2.3779 2.7747 2.7765 3.2544 3.2619 3.9728 4.0387 4.4633 4.4703 4.4909 4.5511 4.9854 5.0362 5.1638 5.1930 7.4950 7.4969 k =-0.1651 0.3871 0.4209 ( 7630 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9207 -22.9207 -7.6628 -7.6622 -6.9073 -6.9049 -6.7341 -6.7336 -6.0907 -6.0846 -5.8767 -5.8728 0.9179 1.0300 1.4710 1.7228 1.9611 2.1724 2.3269 2.3843 2.7746 2.7832 3.2589 3.2668 3.9750 4.0425 4.4357 4.4467 4.4994 4.5631 5.0054 5.0530 5.1868 5.2147 7.4799 7.4811 k =-0.1579 0.3703 0.4026 ( 7630 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9209 -22.9209 -7.6604 -7.6596 -6.9036 -6.9010 -6.7377 -6.7370 -6.1099 -6.1044 -5.8690 -5.8659 0.9416 1.0667 1.4572 1.7177 1.9802 2.1783 2.3508 2.3924 2.7751 2.7913 3.2639 3.2721 3.9776 4.0462 4.4065 4.4181 4.5140 4.5779 5.0256 5.0703 5.2102 5.2368 7.4545 7.4580 k =-0.1507 0.3535 0.3843 ( 7617 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9212 -22.9212 -7.6579 -7.6570 -6.8996 -6.8967 -6.7412 -6.7404 -6.1296 -6.1247 -5.8615 -5.8592 0.9630 1.1002 1.4473 1.7149 2.0001 2.1819 2.3797 2.4023 2.7767 2.8011 3.2695 3.2778 3.9806 4.0497 4.3767 4.3887 4.5311 4.5951 5.0457 5.0880 5.2339 5.2591 7.4216 7.4264 k =-0.1435 0.3366 0.3660 ( 7615 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9215 -22.9215 -7.6553 -7.6544 -6.8953 -6.8922 -6.7446 -6.7438 -6.1497 -6.1453 -5.8543 -5.8526 0.9814 1.1276 1.4443 1.7158 2.0196 2.1836 2.4123 2.4138 2.7798 2.8133 3.2756 3.2840 3.9838 4.0529 4.3467 4.3589 4.5503 4.6145 5.0656 5.1058 5.2576 5.2813 7.3821 7.3876 k =-0.1364 0.3198 0.3477 ( 7603 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9217 -22.9217 -7.6527 -7.6518 -6.8905 -6.8873 -6.7480 -6.7470 -6.1701 -6.1663 -5.8475 -5.8463 0.9959 1.1458 1.4515 1.7215 2.0379 2.1838 2.4266 2.4471 2.7854 2.8281 3.2822 3.2905 3.9870 4.0557 4.3169 4.3292 4.5718 4.6363 5.0851 5.1236 5.2813 5.3034 7.3371 7.3427 k =-0.1292 0.3030 0.3294 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0048 -43.0048 -42.9044 -42.9043 -22.9220 -22.9220 -7.6502 -7.6492 -6.8855 -6.8822 -6.7511 -6.7500 -6.1907 -6.1873 -5.8409 -5.8403 1.0062 1.1528 1.4705 1.7324 2.0544 2.1831 2.4404 2.4819 2.7944 2.8462 3.2893 3.2974 3.9901 4.0580 4.2873 4.2998 4.5955 4.6604 5.1042 5.1412 5.3046 5.3252 7.2875 7.2928 k =-0.1220 0.2862 0.3111 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0048 -43.0048 -42.9044 -42.9043 -22.9223 -22.9223 -7.6477 -7.6467 -6.8803 -6.8769 -6.7539 -6.7528 -6.2114 -6.2085 -5.8347 -5.8345 1.0120 1.1495 1.5007 1.7487 2.0691 2.1816 2.4545 2.5149 2.8084 2.8679 3.2969 3.3048 3.9930 4.0598 4.2583 4.2708 4.6217 4.6870 5.1228 5.1586 5.3274 5.3464 7.2343 7.2391 k =-0.1148 0.2693 0.2928 ( 7615 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9225 -22.9225 -7.6453 -7.6443 -6.8749 -6.8714 -6.7564 -6.7552 -6.2321 -6.2296 -5.8290 -5.8289 1.0135 1.1385 1.5393 1.7701 2.0817 2.1796 2.4683 2.5439 2.8286 2.8934 3.3051 3.3124 3.9956 4.0609 4.2299 4.2424 4.6505 4.7163 5.1408 5.1757 5.3497 5.3670 7.1781 7.1823 k =-0.1077 0.2525 0.2745 ( 7627 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9228 -22.9228 -7.6429 -7.6419 -6.8693 -6.8659 -6.7583 -6.7571 -6.2527 -6.2506 -5.8239 -5.8234 1.0113 1.1225 1.5833 1.7958 2.0926 2.1774 2.4814 2.5675 2.8560 2.9226 3.3138 3.3204 3.9979 4.0612 4.2024 4.2147 4.6819 4.7482 5.1581 5.1925 5.3712 5.3868 7.1196 7.1232 k =-0.1005 0.2357 0.2562 ( 7619 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9231 -22.9231 -7.6407 -7.6397 -6.8638 -6.8604 -6.7597 -6.7584 -6.2731 -6.2714 -5.8190 -5.8183 1.0060 1.1036 1.6306 1.8248 2.1020 2.1751 2.4933 2.5851 2.8904 2.9554 3.3230 3.3288 3.9997 4.0609 4.1758 4.1879 4.7160 4.7829 5.1749 5.2090 5.3919 5.4057 7.0592 7.0622 k =-0.0933 0.2188 0.2379 ( 7623 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9233 -22.9233 -7.6386 -7.6376 -6.8585 -6.8552 -6.7603 -6.7591 -6.2933 -6.2918 -5.8145 -5.8136 0.9982 1.0833 1.6793 1.8560 2.1102 2.1728 2.5038 2.5974 2.9306 2.9912 3.3328 3.3374 4.0010 4.0598 4.1502 4.1620 4.7527 4.8202 5.1912 5.2252 5.4116 5.4235 6.9973 6.9998 k =-0.0861 0.2020 0.2196 ( 7635 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9236 -22.9236 -7.6366 -7.6357 -6.8534 -6.8504 -6.7601 -6.7589 -6.3130 -6.3119 -5.8103 -5.8093 0.9887 1.0625 1.7281 1.8883 2.1175 2.1706 2.5130 2.6053 2.9749 3.0290 3.3432 3.3464 4.0019 4.0579 4.1259 4.1372 4.7918 4.8600 5.2070 5.2413 5.4302 5.4403 6.9340 6.9361 k =-0.0789 0.1852 0.2013 ( 7631 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9238 -22.9238 -7.6347 -7.6339 -6.8488 -6.8460 -6.7589 -6.7578 -6.3323 -6.3314 -5.8064 -5.8053 0.9782 1.0420 1.7762 1.9203 2.1246 2.1687 2.5211 2.6101 3.0215 3.0679 3.3543 3.3558 4.0022 4.0554 4.1029 4.1136 4.8331 4.9019 5.2228 5.2576 5.4477 5.4558 6.8695 6.8714 k =-0.0718 0.1683 0.1830 ( 7639 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9240 -22.9240 -7.6330 -7.6322 -6.8449 -6.8424 -6.7566 -6.7557 -6.3510 -6.3503 -5.8029 -5.8017 0.9672 1.0221 1.8224 1.9510 2.1317 2.1672 2.5281 2.6125 3.0686 3.1069 3.3657 3.3662 4.0021 4.0520 4.0813 4.0913 4.8761 4.9454 5.2389 5.2741 5.4640 5.4700 6.8040 6.8057 k =-0.0646 0.1515 0.1647 ( 7639 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9242 -22.9242 -7.6315 -7.6308 -6.8416 -6.8394 -6.7533 -6.7525 -6.3689 -6.3684 -5.7997 -5.7985 0.9562 1.0032 1.8663 1.9791 2.1392 2.1662 2.5344 2.6132 3.1146 3.1448 3.3761 3.3789 4.0014 4.0480 4.0615 4.0705 4.9202 4.9895 5.2559 5.2913 5.4791 5.4829 6.7375 6.7391 k =-0.0574 0.1347 0.1464 ( 7643 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9244 -22.9244 -7.6301 -7.6294 -6.8390 -6.8371 -6.7490 -6.7484 -6.3860 -6.3856 -5.7968 -5.7956 0.9457 0.9856 1.9069 2.0037 2.1477 2.1659 2.5402 2.6128 3.1582 3.1804 3.3873 3.3926 4.0002 4.0423 4.0443 4.0516 4.9644 5.0327 5.2747 5.3098 5.4929 5.4945 6.6703 6.6720 k =-0.0502 0.1178 0.1281 ( 7639 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9246 -22.9246 -7.6289 -7.6283 -6.8370 -6.8355 -6.7440 -6.7436 -6.4020 -6.4018 -5.7942 -5.7931 0.9359 0.9695 1.9437 2.0240 2.1570 2.1666 2.5457 2.6113 3.1979 3.2127 3.3996 3.4073 3.9982 4.0277 4.0323 4.0399 5.0074 5.0732 5.2968 5.3300 5.5046 5.5055 6.6029 6.6047 k =-0.0431 0.1010 0.1098 ( 7637 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9247 -22.9247 -7.6278 -7.6273 -6.8356 -6.8344 -6.7386 -6.7384 -6.4167 -6.4166 -5.7920 -5.7910 0.9272 0.9550 1.9760 2.0398 2.1670 2.1683 2.5511 2.6092 3.2325 3.2408 3.4130 3.4228 3.9947 4.0152 4.0171 4.0341 5.0477 5.1085 5.3235 5.3526 5.5134 5.5169 6.5361 6.5380 k =-0.0359 0.0842 0.0915 ( 7645 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9249 -22.9249 -7.6269 -7.6265 -6.8346 -6.8337 -6.7331 -6.7329 -6.4299 -6.4299 -5.7901 -5.7892 0.9198 0.9423 2.0033 2.0513 2.1714 2.1768 2.5566 2.6064 3.2610 3.2642 3.4276 3.4384 3.9886 4.0025 4.0082 4.0287 5.0837 5.1366 5.3552 5.3775 5.5208 5.5271 6.4714 6.4733 k =-0.0287 0.0673 0.0732 ( 7647 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0048 -43.0047 -42.9044 -42.9044 -22.9250 -22.9250 -7.6261 -7.6258 -6.8340 -6.8333 -6.7278 -6.7277 -6.4414 -6.4414 -5.7885 -5.7878 0.9138 0.9314 2.0252 2.0594 2.1758 2.1855 2.5622 2.6030 3.2828 3.2829 3.4427 3.4533 3.9809 3.9905 4.0048 4.0233 5.1142 5.1570 5.3903 5.4041 5.5272 5.5361 6.4108 6.4126 k =-0.0215 0.0505 0.0549 ( 7651 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6256 -7.6253 -6.8336 -6.8331 -6.7232 -6.7231 -6.4508 -6.4508 -5.7873 -5.7867 0.9095 0.9225 2.0419 2.0645 2.1813 2.1922 2.5678 2.5991 3.2970 3.2986 3.4571 3.4662 3.9738 3.9806 4.0035 4.0182 5.1385 5.1702 5.4251 5.4304 5.5329 5.5439 6.3571 6.3586 k =-0.0144 0.0337 0.0366 ( 7669 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6251 -7.6250 -6.8334 -6.8331 -6.7195 -6.7195 -6.4578 -6.4577 -5.7864 -5.7860 0.9069 0.9154 2.0537 2.0672 2.1871 2.1963 2.5735 2.5947 3.3070 3.3088 3.4694 3.4760 3.9686 3.9730 4.0034 4.0136 5.1567 5.1774 5.4533 5.4542 5.5388 5.5499 6.3141 6.3152 k =-0.0072 0.0168 0.0183 ( 7681 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6249 -7.6248 -6.8332 -6.8331 -6.7172 -6.7172 -6.4621 -6.4621 -5.7858 -5.7856 0.9061 0.9104 2.0614 2.0677 2.1924 2.1976 2.5792 2.5899 3.3132 3.3143 3.4781 3.4816 3.9658 3.9679 4.0045 4.0097 5.1692 5.1794 5.4696 5.4720 5.5454 5.5527 6.2860 6.2866 k = 0.0000 0.0000 0.0000 ( 7675 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6247 -7.6247 -6.8331 -6.8331 -6.7164 -6.7164 -6.4635 -6.4635 -5.7855 -5.7855 0.9073 0.9073 2.0659 2.0659 2.1961 2.1961 2.5847 2.5847 3.3156 3.3156 3.4823 3.4823 3.9656 3.9656 4.0066 4.0066 5.1767 5.1767 5.4767 5.4767 5.5510 5.5510 6.2764 6.2764 k = 0.0000 0.0000 0.0000 ( 7675 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6247 -7.6247 -6.8331 -6.8331 -6.7164 -6.7164 -6.4635 -6.4635 -5.7855 -5.7855 0.9073 0.9073 2.0659 2.0659 2.1961 2.1961 2.5847 2.5847 3.3156 3.3156 3.4823 3.4823 3.9656 3.9656 4.0066 4.0066 5.1767 5.1767 5.4767 5.4767 5.5510 5.5510 6.2764 6.2764 k = 0.0238 0.0102 0.0000 ( 7675 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6248 -7.6248 -6.8336 -6.8336 -6.7164 -6.7164 -6.4622 -6.4622 -5.7864 -5.7864 0.9094 0.9094 2.0655 2.0655 2.1961 2.1961 2.5829 2.5829 3.3157 3.3157 3.4823 3.4823 3.9655 3.9656 4.0068 4.0069 5.1755 5.1755 5.4769 5.4769 5.5424 5.5424 6.2880 6.2880 k = 0.0476 0.0203 0.0000 ( 7671 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6250 -7.6250 -6.8351 -6.8351 -6.7164 -6.7164 -6.4584 -6.4584 -5.7891 -5.7891 0.9158 0.9158 2.0644 2.0645 2.1961 2.1962 2.5778 2.5778 3.3158 3.3158 3.4823 3.4823 3.9654 3.9656 4.0076 4.0077 5.1715 5.1715 5.4777 5.4778 5.5184 5.5185 6.3211 6.3211 k = 0.0714 0.0305 0.0000 ( 7667 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6252 -7.6252 -6.8374 -6.8374 -6.7164 -6.7164 -6.4521 -6.4521 -5.7934 -5.7934 0.9265 0.9265 2.0626 2.0627 2.1961 2.1962 2.5692 2.5693 3.3160 3.3160 3.4822 3.4822 3.9653 3.9655 4.0088 4.0090 5.1641 5.1641 5.4789 5.4791 5.4841 5.4844 6.3715 6.3715 k = 0.0952 0.0406 0.0000 ( 7650 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6256 -7.6256 -6.8405 -6.8405 -6.7164 -6.7164 -6.4435 -6.4435 -5.7995 -5.7995 0.9413 0.9413 2.0600 2.0602 2.1961 2.1963 2.5574 2.5575 3.3164 3.3164 3.4821 3.4821 3.9652 3.9655 4.0106 4.0109 5.1518 5.1518 5.4453 5.4453 5.4810 5.4810 6.4344 6.4344 k = 0.1190 0.0508 0.0000 ( 7662 PWs) bands (ev): -74.6029 -74.6029 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6261 -7.6261 -6.8443 -6.8443 -6.7164 -6.7164 -6.4327 -6.4327 -5.8073 -5.8073 0.9602 0.9602 2.0565 2.0566 2.1962 2.1964 2.5425 2.5426 3.3167 3.3167 3.4820 3.4820 3.9650 3.9654 4.0129 4.0132 5.1328 5.1328 5.4076 5.4076 5.4832 5.4832 6.5061 6.5061 k = 0.1429 0.0609 0.0000 ( 7634 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6266 -7.6266 -6.8485 -6.8485 -6.7164 -6.7164 -6.4200 -6.4200 -5.8167 -5.8167 0.9831 0.9831 2.0519 2.0521 2.1963 2.1966 2.5247 2.5249 3.3172 3.3172 3.4818 3.4818 3.9649 3.9653 4.0157 4.0161 5.1054 5.1054 5.3754 5.3754 5.4860 5.4860 6.5834 6.5834 k = 0.1667 0.0711 0.0000 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6272 -7.6272 -6.8531 -6.8531 -6.7164 -6.7164 -6.4054 -6.4054 -5.8277 -5.8277 1.0099 1.0099 2.0462 2.0464 2.1965 2.1968 2.5043 2.5045 3.3176 3.3176 3.4817 3.4817 3.9648 3.9652 4.0191 4.0195 5.0692 5.0692 5.3509 5.3509 5.4891 5.4891 6.6642 6.6642 k = 0.1905 0.0812 0.0000 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6279 -7.6279 -6.8578 -6.8578 -6.7164 -6.7164 -6.3893 -6.3893 -5.8401 -5.8401 1.0403 1.0403 2.0389 2.0391 2.1968 2.1971 2.4817 2.4818 3.3181 3.3181 3.4816 3.4816 3.9647 3.9651 4.0232 4.0236 5.0257 5.0257 5.3341 5.3341 5.4924 5.4924 6.7464 6.7464 k = 0.2143 0.0914 0.0000 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6286 -7.6286 -6.8625 -6.8625 -6.7164 -6.7164 -6.3717 -6.3717 -5.8540 -5.8540 1.0742 1.0742 2.0299 2.0301 2.1972 2.1976 2.4572 2.4574 3.3186 3.3186 3.4814 3.4814 3.9645 3.9649 4.0277 4.0281 4.9773 4.9773 5.3234 5.3234 5.4959 5.4960 6.8283 6.8283 k = 0.2381 0.1015 0.0000 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6293 -7.6293 -6.8673 -6.8673 -6.7164 -6.7164 -6.3529 -6.3529 -5.8693 -5.8693 1.1114 1.1114 2.0186 2.0189 2.1976 2.1981 2.4314 2.4317 3.3191 3.3191 3.4813 3.4813 3.9644 3.9648 4.0328 4.0332 4.9266 4.9266 5.3171 5.3171 5.4996 5.4996 6.9079 6.9079 k = 0.2619 0.1117 0.0000 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6300 -7.6300 -6.8718 -6.8718 -6.7164 -6.7164 -6.3330 -6.3330 -5.8859 -5.8859 1.1517 1.1517 2.0048 2.0050 2.1983 2.1988 2.4051 2.4053 3.3196 3.3196 3.4811 3.4811 3.9642 3.9646 4.0384 4.0388 4.8756 4.8756 5.3136 5.3136 5.5033 5.5034 6.9827 6.9827 k = 0.2857 0.1218 0.0000 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6308 -7.6308 -6.8761 -6.8761 -6.7164 -6.7164 -6.3121 -6.3121 -5.9036 -5.9036 1.1947 1.1948 1.9877 1.9879 2.1992 2.1997 2.3788 2.3791 3.3201 3.3201 3.4810 3.4810 3.9642 3.9645 4.0446 4.0450 4.8257 4.8257 5.3121 5.3121 5.5070 5.5070 7.0500 7.0500 k = 0.3095 0.1320 0.0000 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6315 -7.6315 -6.8801 -6.8801 -6.7164 -6.7164 -6.2905 -6.2905 -5.9224 -5.9224 1.2403 1.2404 1.9670 1.9672 2.2003 2.2009 2.3535 2.3538 3.3206 3.3206 3.4809 3.4809 3.9641 3.9644 4.0513 4.0516 4.7782 4.7782 5.3118 5.3118 5.5106 5.5106 7.1060 7.1060 k = 0.3333 0.1421 0.0000 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6321 -7.6321 -6.8837 -6.8837 -6.7164 -6.7164 -6.2681 -6.2681 -5.9422 -5.9422 1.2881 1.2882 1.9420 1.9422 2.2017 2.2023 2.3297 2.3301 3.3210 3.3210 3.4807 3.4808 3.9640 3.9643 4.0582 4.0585 4.7339 4.7339 5.3122 5.3122 5.5140 5.5140 7.1477 7.1477 k = 0.3571 0.1523 0.0000 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6327 -7.6327 -6.8869 -6.8869 -6.7164 -6.7164 -6.2452 -6.2452 -5.9628 -5.9628 1.3378 1.3378 1.9125 1.9127 2.2035 2.2041 2.3081 2.3085 3.3213 3.3213 3.4807 3.4807 3.9639 3.9642 4.0653 4.0655 4.6935 4.6935 5.3131 5.3131 5.5171 5.5171 7.1746 7.1746 k = 0.3810 0.1624 0.0000 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6333 -7.6333 -6.8897 -6.8897 -6.7164 -6.7164 -6.2218 -6.2218 -5.9843 -5.9843 1.3890 1.3890 1.8785 1.8786 2.2057 2.2063 2.2891 2.2896 3.3216 3.3216 3.4806 3.4806 3.9639 3.9641 4.0722 4.0724 4.6577 4.6577 5.3142 5.3142 5.5199 5.5199 7.1896 7.1896 k = 0.4048 0.1726 0.0000 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6337 -7.6337 -6.8920 -6.8920 -6.7164 -6.7164 -6.1982 -6.1982 -6.0063 -6.0063 1.4413 1.4413 1.8401 1.8402 2.2084 2.2090 2.2728 2.2733 3.3219 3.3219 3.4805 3.4805 3.9639 3.9641 4.0788 4.0790 4.6272 4.6272 5.3153 5.3153 5.5222 5.5222 7.1968 7.1968 k = 0.4286 0.1827 0.0000 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9252 -22.9252 -7.6341 -7.6341 -6.8938 -6.8938 -6.7164 -6.7164 -6.1744 -6.1744 -6.0289 -6.0289 1.4942 1.4943 1.7977 1.7978 2.2116 2.2122 2.2591 2.2597 3.3221 3.3221 3.4805 3.4805 3.9639 3.9641 4.0845 4.0846 4.6025 4.6026 5.3162 5.3162 5.5241 5.5241 7.1998 7.1998 k = 0.4524 0.1929 0.0000 ( 7570 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6344 -7.6344 -6.8951 -6.8951 -6.7164 -6.7164 -6.1507 -6.1507 -6.0517 -6.0517 1.5474 1.5474 1.7520 1.7521 2.2154 2.2160 2.2481 2.2487 3.3223 3.3223 3.4804 3.4804 3.9639 3.9640 4.0890 4.0891 4.5844 4.5844 5.3170 5.3170 5.5255 5.5256 7.2008 7.2008 k = 0.4762 0.2030 0.0000 ( 7570 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6345 -7.6345 -6.8959 -6.8959 -6.7164 -6.7164 -6.1278 -6.1278 -6.0741 -6.0741 1.6001 1.6002 1.7036 1.7037 2.2194 2.2199 2.2399 2.2403 3.3223 3.3223 3.4804 3.4804 3.9639 3.9640 4.0919 4.0920 4.5733 4.5733 5.3175 5.3175 5.5264 5.5264 7.2010 7.2010 k = 0.5000 0.2132 0.0000 ( 7566 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6346 -7.6346 -6.8961 -6.8961 -6.7164 -6.7164 -6.1128 -6.1128 -6.0889 -6.0889 1.6462 1.6462 1.6591 1.6591 2.2219 2.2219 2.2365 2.2365 3.3224 3.3224 3.4804 3.4804 3.9640 3.9640 4.0929 4.0929 4.5696 4.5696 5.3177 5.3177 5.5267 5.5267 7.2010 7.2010 k = 0.5000 0.2132 0.0000 ( 7566 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6346 -7.6346 -6.8961 -6.8961 -6.7164 -6.7164 -6.1128 -6.1128 -6.0889 -6.0889 1.6462 1.6462 1.6591 1.6591 2.2219 2.2219 2.2365 2.2365 3.3224 3.3224 3.4804 3.4804 3.9640 3.9640 4.0929 4.0929 4.5696 4.5696 5.3177 5.3177 5.5267 5.5267 7.2010 7.2010 k = 0.4929 0.2298 0.0181 ( 7574 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6347 -7.6345 -6.8961 -6.8958 -6.7169 -6.7169 -6.1131 -6.1129 -6.0879 -6.0878 1.6421 1.6494 1.6512 1.6663 2.2151 2.2245 2.2293 2.2464 3.3167 3.3245 3.4748 3.4805 3.9642 3.9663 4.0894 4.0972 4.5686 4.5713 5.3152 5.3170 5.5239 5.5256 7.2042 7.2094 k = 0.4858 0.2465 0.0362 ( 7566 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6349 -7.6346 -6.8958 -6.8951 -6.7182 -6.7182 -6.1138 -6.1133 -6.0852 -6.0850 1.6371 1.6417 1.6529 1.6731 2.2078 2.2127 2.2349 2.2554 3.3076 3.3229 3.4642 3.4754 3.9669 3.9712 4.0868 4.1021 4.5683 4.5738 5.3096 5.3131 5.5176 5.5209 7.2183 7.2291 k = 0.4787 0.2632 0.0543 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9250 -22.9250 -7.6351 -7.6347 -6.8952 -6.8942 -6.7203 -6.7203 -6.1146 -6.1137 -6.0808 -6.0808 1.6308 1.6310 1.6559 1.6797 2.1993 2.2003 2.2407 2.2633 3.2946 3.3169 3.4495 3.4659 3.9719 3.9784 4.0850 4.1074 4.5687 4.5769 5.3006 5.3057 5.5083 5.5131 7.2414 7.2583 k = 0.4716 0.2798 0.0724 ( 7582 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9250 -22.9250 -7.6355 -7.6349 -6.8942 -6.8928 -6.7232 -6.7231 -6.1153 -6.1140 -6.0752 -6.0750 1.6184 1.6226 1.6590 1.6862 2.1852 2.1923 2.2462 2.2705 3.2776 3.3056 3.4326 3.4530 3.9791 3.9879 4.0841 4.1128 4.5699 4.5807 5.2882 5.2948 5.4970 5.5034 7.2708 7.2939 k = 0.4645 0.2965 0.0905 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9249 -22.9249 -7.6359 -7.6351 -6.8930 -6.8913 -6.7267 -6.7266 -6.1159 -6.1139 -6.0686 -6.0681 1.6037 1.6123 1.6623 1.6928 2.1706 2.1844 2.2516 2.2770 3.2561 3.2877 3.4154 3.4381 3.9881 3.9994 4.0838 4.1181 4.5719 4.5852 5.2724 5.2803 5.4848 5.4925 7.3032 7.3318 k = 0.4574 0.3131 0.1087 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9247 -22.9247 -7.6364 -7.6355 -6.8916 -6.8894 -6.7308 -6.7306 -6.1162 -6.1136 -6.0611 -6.0602 1.5864 1.5994 1.6657 1.6997 2.1557 2.1767 2.2570 2.2830 3.2300 3.2625 3.3998 3.4223 3.9986 4.0129 4.0842 4.1230 4.5746 4.5903 5.2531 5.2622 5.4724 5.4815 7.3359 7.3681 k = 0.4503 0.3298 0.1268 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9246 -22.9246 -7.6370 -7.6360 -6.8900 -6.8873 -6.7353 -6.7349 -6.1163 -6.1130 -6.0527 -6.0514 1.5663 1.5834 1.6693 1.7066 2.1412 2.1694 2.2622 2.2886 3.1994 3.2305 3.3865 3.4067 4.0103 4.0280 4.0854 4.1274 4.5782 4.5959 5.2309 5.2410 5.4605 5.4709 7.3672 7.4007 k = 0.4432 0.3464 0.1449 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9244 -22.9244 -7.6377 -7.6365 -6.8883 -6.8851 -6.7401 -6.7395 -6.1162 -6.1121 -6.0436 -6.0419 1.5433 1.5641 1.6729 1.7137 2.1274 2.1629 2.2675 2.2940 3.1648 3.1931 3.3750 3.3916 4.0225 4.0447 4.0876 4.1309 4.5825 4.6021 5.2061 5.2171 5.4493 5.4609 7.3964 7.4293 k = 0.4361 0.3631 0.1630 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9242 -22.9242 -7.6385 -7.6372 -6.8866 -6.8828 -6.7450 -6.7442 -6.1157 -6.1110 -6.0339 -6.0317 1.5172 1.5412 1.6764 1.7208 2.1148 2.1574 2.2728 2.2991 3.1268 3.1518 3.3648 3.3774 4.0342 4.0627 4.0915 4.1336 4.5875 4.6088 5.1795 5.1911 5.4388 5.4517 7.4234 7.4547 k = 0.4290 0.3798 0.1811 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9240 -22.9240 -7.6395 -7.6380 -6.8849 -6.8806 -6.7498 -6.7487 -6.1151 -6.1095 -6.0237 -6.0211 1.4880 1.5146 1.6798 1.7276 2.1038 2.1531 2.2783 2.3041 3.0865 3.1082 3.3555 3.3641 4.0437 4.0820 4.0984 4.1354 4.5933 4.6158 5.1516 5.1638 5.4290 5.4429 7.4485 7.4776 k = 0.4219 0.3964 0.1992 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9238 -22.9238 -7.6406 -7.6390 -6.8835 -6.8784 -6.7544 -6.7530 -6.1141 -6.1079 -6.0131 -6.0100 1.4558 1.4844 1.6829 1.7341 2.0946 2.1503 2.2838 2.3090 3.0448 3.0634 3.3467 3.3516 4.0500 4.1023 4.1094 4.1362 4.5997 4.6232 5.1229 5.1359 5.4196 5.4345 7.4713 7.4980 k = 0.4148 0.4131 0.2173 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9236 -22.9236 -7.6418 -7.6401 -6.8823 -6.8765 -6.7585 -6.7568 -6.1129 -6.1060 -6.0022 -5.9987 1.4207 1.4506 1.6854 1.7400 2.0874 2.1490 2.2895 2.3138 3.0024 3.0186 3.3383 3.3400 4.0528 4.1229 4.1243 4.1367 4.6066 4.6307 5.0941 5.1077 5.4104 5.4263 7.4912 7.5154 k = 0.4077 0.4297 0.2354 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9233 -22.9233 -7.6431 -7.6413 -6.8815 -6.8750 -6.7620 -6.7599 -6.1114 -6.1039 -5.9911 -5.9872 1.3831 1.4137 1.6874 1.7450 2.0821 2.1492 2.2953 2.3184 2.9604 2.9745 3.3290 3.3302 4.0530 4.1326 4.1423 4.1479 4.6141 4.6384 5.0652 5.0798 5.4013 5.4181 7.5066 7.5279 k = 0.4006 0.4464 0.2535 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9231 -22.9231 -7.6446 -7.6427 -6.8812 -6.8741 -6.7647 -6.7622 -6.1097 -6.1015 -5.9800 -5.9757 1.3434 1.3740 1.6886 1.7490 2.0788 2.1509 2.3013 2.3228 2.9194 2.9319 3.3187 3.3223 4.0516 4.1311 4.1624 4.1702 4.6219 4.6459 5.0367 5.0524 5.3921 5.4096 7.5148 7.5325 k = 0.3935 0.4631 0.2716 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9228 -22.9228 -7.6463 -7.6443 -6.8815 -6.8738 -6.7664 -6.7635 -6.1076 -6.0989 -5.9689 -5.9643 1.3019 1.3320 1.6888 1.7517 2.0772 2.1539 2.3074 2.3269 2.8802 2.8913 3.3090 3.3146 4.0490 4.1280 4.1838 4.1938 4.6300 4.6531 5.0085 5.0258 5.3826 5.4008 7.5116 7.5246 k = 0.3864 0.4797 0.2897 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9226 -22.9226 -7.6480 -7.6459 -6.8824 -6.8742 -6.7670 -6.7639 -6.1053 -6.0961 -5.9580 -5.9531 1.2591 1.2883 1.6880 1.7530 2.0770 2.1581 2.3138 2.3306 2.8434 2.8534 3.2999 3.3073 4.0455 4.1241 4.2063 4.2181 4.6382 4.6599 4.9808 5.0001 5.3728 5.3915 7.4932 7.5007 k = 0.3793 0.4964 0.3078 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0048 -43.0048 -42.9044 -42.9043 -22.9223 -22.9223 -7.6499 -7.6478 -6.8839 -6.8754 -6.7666 -6.7634 -6.1027 -6.0931 -5.9474 -5.9423 1.2155 1.2435 1.6860 1.7527 2.0780 2.1633 2.3203 2.3337 2.8095 2.8186 3.2914 3.3002 4.0415 4.1194 4.2296 4.2429 4.6465 4.6660 4.9535 4.9755 5.3625 5.3816 7.4595 7.4620 k = 0.3722 0.5130 0.3260 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0048 -43.0048 -42.9044 -42.9043 -22.9220 -22.9220 -7.6519 -7.6497 -6.8859 -6.8773 -6.7651 -6.7619 -6.0997 -6.0898 -5.9372 -5.9318 1.1715 1.1980 1.6829 1.7507 2.0798 2.1692 2.3270 2.3361 2.7791 2.7872 3.2834 3.2935 4.0371 4.1142 4.2535 4.2682 4.6546 4.6710 4.9266 4.9522 5.3516 5.3709 7.4145 7.4152 k = 0.3651 0.5297 0.3441 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9218 -22.9218 -7.6540 -7.6517 -6.8884 -6.8797 -6.7627 -6.7596 -6.0965 -6.0862 -5.9274 -5.9218 1.1277 1.1525 1.6785 1.7472 2.0821 2.1756 2.3338 2.3377 2.7526 2.7595 3.2761 3.2872 4.0325 4.1085 4.2779 4.2938 4.6624 4.6747 4.9000 4.9303 5.3401 5.3595 7.3639 7.3662 k = 0.3580 0.5463 0.3622 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9215 -22.9215 -7.6561 -7.6539 -6.8912 -6.8826 -6.7596 -6.7567 -6.0929 -6.0824 -5.9182 -5.9125 1.0845 1.1074 1.6730 1.7420 2.0846 2.1821 2.3381 2.3407 2.7303 2.7356 3.2693 3.2812 4.0278 4.1024 4.3026 4.3195 4.6698 4.6767 4.8738 4.9101 5.3278 5.3472 7.3141 7.3169 k = 0.3509 0.5630 0.3803 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9212 -22.9212 -7.6583 -7.6561 -6.8942 -6.8858 -6.7558 -6.7532 -6.0889 -6.0783 -5.9097 -5.9039 1.0423 1.0632 1.6665 1.7354 2.0870 2.1886 2.3374 2.3475 2.7125 2.7157 3.2630 3.2756 4.0231 4.0962 4.3274 4.3454 4.6763 4.6764 4.8480 4.8920 5.3148 5.3339 7.2678 7.2701 k = 0.3437 0.5797 0.3984 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9210 -22.9210 -7.6606 -7.6583 -6.8974 -6.8892 -6.7517 -6.7493 -6.0846 -6.0739 -5.9019 -5.8960 1.0015 1.0203 1.6589 1.7276 2.0891 2.1947 2.3354 2.3541 2.6991 2.6997 3.2574 3.2704 4.0186 4.0897 4.3523 4.3712 4.6732 4.6819 4.8231 4.8764 5.3009 5.3196 7.2264 7.2277 k = 0.3366 0.5963 0.4165 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9207 -22.9207 -7.6628 -7.6605 -6.9006 -6.8927 -6.7473 -6.7452 -6.0799 -6.0692 -5.8950 -5.8891 0.9626 0.9791 1.6506 1.7188 2.0906 2.2002 2.3323 2.3604 2.6876 2.6902 3.2523 3.2657 4.0144 4.0832 4.3772 4.3970 4.6669 4.6855 4.7999 4.8638 5.2862 5.3043 7.1907 7.1909 k = 0.3295 0.6130 0.4346 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9205 -22.9205 -7.6650 -7.6628 -6.9037 -6.8962 -6.7428 -6.7410 -6.0749 -6.0643 -5.8890 -5.8831 0.9258 0.9401 1.6418 1.7093 2.0915 2.2049 2.3281 2.3661 2.6790 2.6852 3.2479 3.2613 4.0106 4.0767 4.4018 4.4224 4.6572 4.6856 4.7799 4.8545 5.2706 5.2879 7.1598 7.1617 k = 0.3224 0.6296 0.4527 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9203 -22.9203 -7.6671 -7.6650 -6.9067 -6.8996 -6.7383 -6.7367 -6.0694 -6.0590 -5.8839 -5.8781 0.8915 0.9034 1.6326 1.6995 2.0915 2.2085 2.3233 2.3710 2.6739 2.6839 3.2440 3.2574 4.0073 4.0702 4.4260 4.4474 4.6442 4.6802 4.7655 4.8484 5.2542 5.2706 7.1354 7.1394 k = 0.3153 0.6463 0.4708 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9201 -22.9201 -7.6692 -7.6671 -6.9096 -6.9029 -6.7339 -6.7326 -6.0636 -6.0535 -5.8799 -5.8742 0.8600 0.8694 1.6233 1.6898 2.0907 2.2108 2.3180 2.3752 2.6717 2.6855 3.2406 3.2538 4.0045 4.0637 4.4495 4.4717 4.6286 4.6680 4.7584 4.8452 5.2370 5.2523 7.1177 7.1238 k = 0.3082 0.6629 0.4889 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9199 -22.9199 -7.6711 -7.6691 -6.9123 -6.9060 -6.7297 -6.7286 -6.0574 -6.0477 -5.8769 -5.8715 0.8315 0.8384 1.6142 1.6804 2.0888 2.2116 2.3126 2.3784 2.6721 2.6896 3.2378 3.2506 4.0023 4.0572 4.4721 4.4950 4.6113 4.6507 4.7575 4.8446 5.2192 5.2332 7.1066 7.1150 k = 0.3011 0.6796 0.5070 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9197 -22.9197 -7.6729 -7.6710 -6.9147 -6.9088 -6.7258 -6.7249 -6.0508 -6.0416 -5.8751 -5.8699 0.8063 0.8105 1.6055 1.6718 2.0859 2.2109 2.3074 2.3806 2.6746 2.6955 3.2355 3.2478 4.0008 4.0507 4.4929 4.5165 4.5935 4.6315 4.7604 4.8462 5.2009 5.2134 7.1021 7.1129 k = 0.2940 0.6963 0.5251 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9196 -22.9196 -7.6745 -7.6727 -6.9169 -6.9115 -6.7222 -6.7215 -6.0439 -6.0353 -5.8744 -5.8695 0.7845 0.7860 1.5974 1.6642 2.0819 2.2084 2.3026 2.3820 2.6789 2.7027 3.2338 3.2454 3.9998 4.0441 4.5102 4.5347 4.5778 4.6139 4.7655 4.8495 5.1822 5.1930 7.1038 7.1171 k = 0.2869 0.7129 0.5433 ( 7580 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9194 -22.9194 -7.6759 -7.6743 -6.9188 -6.9139 -6.7191 -6.7185 -6.0366 -6.0288 -5.8748 -5.8704 0.7649 0.7663 1.5901 1.6580 2.0766 2.2042 2.2984 2.3825 2.6845 2.7107 3.2326 3.2433 3.9996 4.0375 4.5187 4.5455 4.5698 4.6031 4.7719 4.8545 5.1636 5.1722 7.1115 7.1272 k = 0.2798 0.7296 0.5614 ( 7582 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9193 -22.9193 -7.6772 -7.6756 -6.9205 -6.9160 -6.7163 -6.7159 -6.0291 -6.0221 -5.8765 -5.8726 0.7475 0.7519 1.5836 1.6534 2.0700 2.1984 2.2948 2.3821 2.6909 2.7191 3.2318 3.2415 3.9998 4.0307 4.5129 4.5433 4.5754 4.6052 4.7793 4.8609 5.1452 5.1514 7.1248 7.1428 k = 0.2727 0.7462 0.5795 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6781 -7.6767 -6.9219 -6.9179 -6.7141 -6.7137 -6.0213 -6.0153 -5.8792 -5.8759 0.7338 0.7413 1.5782 1.6506 2.0621 2.1911 2.2917 2.3812 2.6978 2.7275 3.2314 3.2399 4.0006 4.0238 4.4996 4.5325 4.5880 4.6159 4.7876 4.8685 5.1276 5.1309 7.1431 7.1634 k = 0.2727 0.7462 0.5795 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6781 -7.6767 -6.9219 -6.9179 -6.7141 -6.7137 -6.0213 -6.0153 -5.8792 -5.8759 0.7338 0.7413 1.5782 1.6506 2.0621 2.1911 2.2917 2.3812 2.6978 2.7275 3.2314 3.2399 4.0006 4.0238 4.4996 4.5325 4.5880 4.6159 4.7876 4.8685 5.1276 5.1309 7.1431 7.1634 k = 0.2479 0.7414 0.5847 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6784 -7.6770 -6.9222 -6.9184 -6.7135 -6.7131 -6.0188 -6.0132 -5.8803 -5.8773 0.7308 0.7391 1.5761 1.6484 2.0611 2.1884 2.2922 2.3809 2.6997 2.7295 3.2314 3.2395 4.0008 4.0218 4.4961 4.5293 4.5923 4.6199 4.7889 4.8694 5.1223 5.1247 7.1525 7.1732 k = 0.2231 0.7365 0.5900 ( 7595 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6786 -7.6773 -6.9226 -6.9190 -6.7129 -6.7126 -6.0162 -6.0109 -5.8817 -5.8789 0.7289 0.7376 1.5729 1.6427 2.0633 2.1852 2.2951 2.3807 2.7011 2.7305 3.2314 3.2391 4.0009 4.0196 4.4940 4.5270 4.5971 4.6244 4.7881 4.8673 5.1163 5.1179 7.1680 7.1888 k = 0.1983 0.7317 0.5953 ( 7599 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6788 -7.6776 -6.9229 -6.9195 -6.7124 -6.7121 -6.0133 -6.0084 -5.8834 -5.8808 0.7278 0.7366 1.5688 1.6341 2.0684 2.1817 2.2999 2.3806 2.7022 2.7305 3.2316 3.2387 4.0010 4.0174 4.4934 4.5256 4.6023 4.6293 4.7854 4.8623 5.1098 5.1108 7.1888 7.2092 k = 0.1736 0.7268 0.6005 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6789 -7.6778 -6.9231 -6.9201 -6.7119 -6.7116 -6.0103 -6.0058 -5.8853 -5.8829 0.7275 0.7361 1.5640 1.6234 2.0756 2.1781 2.3064 2.3805 2.7029 2.7295 3.2318 3.2382 4.0010 4.0153 4.4942 4.5250 4.6077 4.6343 4.7813 4.8548 5.1032 5.1037 7.2133 7.2331 k = 0.1488 0.7220 0.6058 ( 7585 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9192 -22.9192 -7.6790 -7.6781 -6.9233 -6.9207 -6.7115 -6.7112 -6.0073 -6.0033 -5.8872 -5.8851 0.7278 0.7359 1.5591 1.6114 2.0846 2.1743 2.3140 2.3802 2.7034 2.7278 3.2321 3.2378 4.0011 4.0132 4.4963 4.5250 4.6133 4.6389 4.7766 4.8453 5.0967 5.0968 7.2402 7.2587 k = 0.1240 0.7172 0.6111 ( 7585 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6791 -7.6783 -6.9235 -6.9212 -6.7111 -6.7109 -6.0044 -6.0010 -5.8891 -5.8873 0.7287 0.7359 1.5545 1.5989 2.0944 2.1704 2.3225 2.3795 2.7037 2.7253 3.2324 3.2373 4.0012 4.0112 4.4995 4.5253 4.6188 4.6430 4.7720 4.8343 5.0904 5.0905 7.2676 7.2843 k = 0.0992 0.7123 0.6163 ( 7585 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6792 -7.6785 -6.9236 -6.9217 -6.7107 -6.7106 -6.0017 -5.9989 -5.8909 -5.8893 0.7298 0.7360 1.5508 1.5868 2.1046 2.1660 2.3313 2.3782 2.7042 2.7224 3.2328 3.2368 4.0014 4.0093 4.5034 4.5256 4.6243 4.6459 4.7685 4.8224 5.0848 5.0850 7.2937 7.3080 k = 0.0744 0.7075 0.6216 ( 7591 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6792 -7.6787 -6.9236 -6.9222 -6.7104 -6.7103 -5.9994 -5.9971 -5.8924 -5.8911 0.7312 0.7360 1.5484 1.5756 2.1148 2.1610 2.3401 2.3760 2.7050 2.7192 3.2332 3.2363 4.0018 4.0077 4.5078 4.5255 4.6295 4.6475 4.7669 4.8102 5.0801 5.0804 7.3167 7.3281 k = 0.0496 0.7026 0.6269 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6792 -7.6788 -6.9235 -6.9226 -6.7102 -6.7102 -5.9974 -5.9959 -5.8935 -5.8926 0.7325 0.7358 1.5476 1.5659 2.1245 2.1554 2.3486 2.3729 2.7061 2.7159 3.2337 3.2357 4.0023 4.0062 4.5123 4.5246 4.6345 4.6474 4.7680 4.7985 5.0767 5.0769 7.3350 7.3430 k = 0.0248 0.6978 0.6321 ( 7593 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6791 -7.6790 -6.9234 -6.9229 -6.7101 -6.7101 -5.9961 -5.9953 -5.8941 -5.8936 0.7337 0.7354 1.5489 1.5580 2.1335 2.1489 2.3563 2.3685 2.7078 2.7128 3.2342 3.2352 4.0029 4.0049 4.5166 4.5229 4.6390 4.6458 4.7720 4.7877 5.0746 5.0747 7.3474 7.3515 k = 0.0000 0.6929 0.6374 ( 7578 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6791 -7.6791 -6.9232 -6.9232 -6.7100 -6.7100 -5.9954 -5.9954 -5.8941 -5.8941 0.7347 0.7347 1.5524 1.5524 2.1417 2.1417 2.3630 2.3630 2.7101 2.7101 3.2347 3.2347 4.0039 4.0039 4.5202 4.5202 4.6429 4.6429 4.7787 4.7787 5.0739 5.0739 7.3531 7.3531 k = 0.0000 0.6929 0.6374 ( 7578 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6791 -7.6791 -6.9232 -6.9232 -6.7100 -6.7100 -5.9954 -5.9954 -5.8941 -5.8941 0.7347 0.7347 1.5524 1.5524 2.1417 2.1417 2.3630 2.3630 2.7101 2.7101 3.2347 3.2347 4.0039 4.0039 4.5202 4.5202 4.6429 4.6429 4.7787 4.7787 5.0739 5.0739 7.3531 7.3531 k = 0.0071 0.6762 0.6556 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6791 -7.6790 -6.9231 -6.9230 -6.7103 -6.7101 -5.9951 -5.9950 -5.8942 -5.8941 0.7330 0.7370 1.5510 1.5544 2.1355 2.1470 2.3590 2.3651 2.7055 2.7146 3.2309 3.2363 4.0030 4.0047 4.5134 4.5250 4.6344 4.6478 4.7735 4.7795 5.0646 5.0784 7.3531 7.3630 k = 0.0143 0.6594 0.6738 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9191 -22.9191 -7.6790 -7.6789 -6.9226 -6.9225 -6.7108 -6.7105 -5.9941 -5.9939 -5.8943 -5.8941 0.7321 0.7399 1.5502 1.5570 2.1286 2.1517 2.3532 2.3655 2.7008 2.7193 3.2248 3.2357 4.0024 4.0057 4.5049 4.5281 4.6226 4.6491 4.7641 4.7758 5.0512 5.0779 7.3632 7.3826 k = 0.0214 0.6427 0.6920 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9190 -22.9190 -7.6788 -7.6786 -6.9219 -6.9217 -6.7116 -6.7112 -5.9925 -5.9922 -5.8944 -5.8941 0.7317 0.7435 1.5501 1.5602 2.1207 2.1557 2.3453 2.3644 2.6960 2.7242 3.2165 3.2332 4.0019 4.0069 4.4944 4.5291 4.6081 4.6471 4.7506 4.7671 5.0347 5.0727 7.3826 7.4107 k = 0.0286 0.6259 0.7103 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9189 -22.9189 -7.6786 -7.6784 -6.9209 -6.9206 -6.7127 -6.7122 -5.9902 -5.9898 -5.8945 -5.8942 0.7319 0.7477 1.5505 1.5639 2.1118 2.1590 2.3355 2.3622 2.6909 2.7293 3.2058 3.2289 4.0014 4.0081 4.4818 4.5273 4.5918 4.6421 4.7330 4.7533 5.0165 5.0633 7.4103 7.4463 k = 0.0357 0.6092 0.7285 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9044 -22.9188 -22.9188 -7.6782 -7.6780 -6.9196 -6.9192 -6.7141 -6.7134 -5.9873 -5.9868 -5.8946 -5.8943 0.7326 0.7524 1.5514 1.5681 2.1016 2.1616 2.3239 2.3590 2.6854 2.7347 3.1929 3.2230 4.0010 4.0096 4.4671 4.5213 4.5754 4.6344 4.7114 4.7347 4.9979 5.0506 7.4450 7.4877 k = 0.0429 0.5924 0.7467 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9187 -22.9187 -7.6779 -7.6776 -6.9180 -6.9176 -6.7157 -6.7149 -5.9837 -5.9831 -5.8948 -5.8944 0.7337 0.7575 1.5528 1.5727 2.0902 2.1632 2.3108 2.3552 2.6796 2.7406 3.1777 3.2156 4.0006 4.0110 4.4504 4.5092 4.5612 4.6242 4.6857 4.7125 4.9798 5.0351 7.4853 7.5335 k = 0.0500 0.5757 0.7649 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9186 -22.9186 -7.6775 -7.6771 -6.9161 -6.9156 -6.7175 -6.7166 -5.9796 -5.9789 -5.8949 -5.8945 0.7352 0.7629 1.5546 1.5776 2.0775 2.1636 2.2964 2.3511 2.6733 2.7468 3.1605 3.2071 4.0002 4.0126 4.4317 4.4904 4.5496 4.6116 4.6561 4.6887 4.9623 5.0175 7.5298 7.5824 k = 0.0571 0.5589 0.7831 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9184 -22.9184 -7.6770 -7.6766 -6.9140 -6.9135 -6.7195 -6.7185 -5.9750 -5.9742 -5.8951 -5.8946 0.7368 0.7685 1.5566 1.5827 2.0635 2.1625 2.2813 2.3467 2.6665 2.7536 3.1414 3.1978 3.9998 4.0142 4.4114 4.4668 4.5381 4.5963 4.6237 4.6661 4.9456 4.9982 7.5773 7.6333 k = 0.0643 0.5422 0.8013 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9182 -22.9182 -7.6765 -7.6761 -6.9117 -6.9111 -6.7217 -6.7206 -5.9699 -5.9690 -5.8952 -5.8947 0.7386 0.7742 1.5589 1.5877 2.0484 2.1595 2.2663 2.3424 2.6592 2.7608 3.1207 3.1880 3.9991 4.0158 4.3897 4.4403 4.5232 4.5748 4.5945 4.6463 4.9290 4.9773 7.6268 7.6852 k = 0.0714 0.5254 0.8195 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9180 -22.9180 -7.6760 -7.6756 -6.9091 -6.9085 -6.7240 -6.7228 -5.9643 -5.9634 -5.8952 -5.8948 0.7402 0.7798 1.5612 1.5925 2.0325 2.1539 2.2519 2.3381 2.6516 2.7685 3.0985 3.1780 3.9983 4.0173 4.3669 4.4122 4.5026 4.5412 4.5776 4.6296 4.9122 4.9551 7.6772 7.7376 k = 0.0786 0.5087 0.8377 ( 7604 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9044 -22.9178 -22.9178 -7.6755 -7.6750 -6.9064 -6.9057 -6.7264 -6.7251 -5.9585 -5.9574 -5.8952 -5.8947 0.7417 0.7850 1.5634 1.5968 2.0161 2.1453 2.2389 2.3338 2.6437 2.7767 3.0753 3.1681 3.9972 4.0188 4.3435 4.3835 4.4765 4.5035 4.5671 4.6154 4.8947 4.9314 7.7278 7.7897 k = 0.0857 0.4919 0.8559 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9176 -22.9176 -7.6750 -7.6745 -6.9035 -6.9027 -6.7288 -6.7275 -5.9524 -5.9512 -5.8950 -5.8946 0.7428 0.7898 1.5655 1.6004 1.9998 2.1336 2.2277 2.3294 2.6357 2.7855 3.0514 3.1586 3.9957 4.0201 4.3199 4.3547 4.4467 4.4663 4.5591 4.6028 4.8762 4.9062 7.7777 7.8409 k = 0.0929 0.4751 0.8742 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9174 -22.9174 -7.6745 -7.6740 -6.9005 -6.8997 -6.7313 -6.7298 -5.9462 -5.9449 -5.8945 -5.8943 0.7433 0.7938 1.5671 1.6029 1.9841 2.1195 2.2179 2.3248 2.6279 2.7948 3.0273 3.1499 3.9938 4.0212 4.2962 4.3262 4.4146 4.4312 4.5522 4.5912 4.8562 4.8795 7.8261 7.8904 k = 0.1000 0.4584 0.8924 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9171 -22.9171 -7.6741 -7.6735 -6.8973 -6.8965 -6.7336 -6.7322 -5.9401 -5.9387 -5.8937 -5.8936 0.7432 0.7969 1.5682 1.6043 1.9697 2.1036 2.2089 2.3198 2.6206 2.8046 3.0034 3.1421 3.9914 4.0220 4.2727 4.2984 4.3818 4.3987 4.5457 4.5802 4.8346 4.8513 7.8720 7.9372 k = 0.1071 0.4416 0.9106 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9169 -22.9169 -7.6736 -7.6731 -6.8941 -6.8933 -6.7360 -6.7345 -5.9343 -5.9328 -5.8924 -5.8922 0.7423 0.7989 1.5685 1.6042 1.9571 2.0870 2.2000 2.3142 2.6142 2.8148 2.9802 3.1353 3.9884 4.0224 4.2497 4.2717 4.3498 4.3686 4.5394 4.5695 4.8108 4.8218 7.9140 7.9799 k = 0.1143 0.4249 0.9288 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9166 -22.9166 -7.6732 -7.6727 -6.8909 -6.8901 -6.7382 -6.7367 -5.9292 -5.9275 -5.8905 -5.8900 0.7405 0.7995 1.5677 1.6028 1.9468 2.0705 2.1906 2.3079 2.6091 2.8255 2.9581 3.1298 3.9847 4.0224 4.2274 4.2463 4.3198 4.3409 4.5329 4.5591 4.7841 4.7917 7.9508 8.0170 k = 0.1214 0.4081 0.9470 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9164 -22.9164 -7.6729 -7.6723 -6.8877 -6.8869 -6.7402 -6.7387 -5.9250 -5.9232 -5.8875 -5.8866 0.7376 0.7986 1.5656 1.6002 1.9391 2.0546 2.1803 2.3009 2.6054 2.8366 2.9378 3.1256 3.9803 4.0219 4.2060 4.2225 4.2923 4.3154 4.5263 4.5488 4.7529 4.7626 7.9806 8.0463 k = 0.1286 0.3914 0.9652 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9161 -22.9161 -7.6726 -7.6720 -6.8846 -6.8837 -6.7421 -6.7406 -5.9220 -5.9200 -5.8833 -5.8821 0.7337 0.7961 1.5618 1.5969 1.9342 2.0398 2.1688 2.2930 2.6034 2.8479 2.9197 3.1226 3.9752 4.0207 4.1855 4.2004 4.2675 4.2921 4.5194 4.5386 4.7183 4.7333 8.0022 8.0659 k = 0.1357 0.3746 0.9834 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9159 -22.9159 -7.6724 -7.6718 -6.8815 -6.8807 -6.7437 -6.7423 -5.9200 -5.9178 -5.8781 -5.8766 0.7286 0.7918 1.5562 1.5935 1.9319 2.0263 2.1563 2.2844 2.6032 2.8590 2.9045 3.1208 3.9695 4.0190 4.1663 4.1802 4.2456 4.2711 4.5123 4.5284 4.6817 4.7029 8.0145 8.0746 k = 0.1429 0.3579 1.0016 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0050 -42.9044 -42.9043 -22.9156 -22.9156 -7.6722 -7.6716 -6.8786 -6.8778 -6.7451 -6.7437 -5.9188 -5.9166 -5.8720 -5.8703 0.7226 0.7858 1.5490 1.5901 1.9318 2.0141 2.1428 2.2752 2.6046 2.8681 2.8943 3.1202 3.9634 4.0167 4.1484 4.1619 4.2265 4.2525 4.5049 4.5181 4.6436 4.6710 8.0175 8.0727 k = 0.1500 0.3411 1.0199 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9154 -22.9154 -7.6720 -7.6715 -6.8759 -6.8751 -6.7462 -6.7449 -5.9183 -5.9160 -5.8654 -5.8636 0.7155 0.7782 1.5405 1.5871 1.9336 2.0034 2.1286 2.2657 2.6077 2.8693 2.8949 3.1205 3.9569 4.0140 4.1318 4.1452 4.2101 4.2361 4.4971 4.5078 4.6041 4.6380 8.0128 8.0624 k = 0.1571 0.3244 1.0381 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9151 -22.9151 -7.6720 -7.6714 -6.8733 -6.8726 -6.7471 -6.7458 -5.9181 -5.9159 -5.8586 -5.8566 0.7076 0.7690 1.5313 1.5842 1.9367 1.9939 2.1143 2.2560 2.6122 2.8645 2.9047 3.1217 3.9506 4.0110 4.1166 4.1302 4.1964 4.2220 4.4887 4.4972 4.5639 4.6044 8.0026 8.0467 k = 0.1643 0.3076 1.0563 ( 7616 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9149 -22.9149 -7.6719 -7.6714 -6.8710 -6.8703 -6.7477 -6.7465 -5.9183 -5.9160 -5.8517 -5.8497 0.6990 0.7584 1.5218 1.5816 1.9406 1.9854 2.1002 2.2463 2.6178 2.8599 2.9170 3.1236 3.9447 4.0082 4.1028 4.1166 4.1851 4.2098 4.4788 4.4857 4.5243 4.5708 7.9893 8.0287 k = 0.1714 0.2909 1.0745 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9147 -22.9147 -7.6719 -7.6714 -6.8689 -6.8682 -6.7480 -6.7469 -5.9186 -5.9164 -5.8449 -5.8428 0.6900 0.7469 1.5125 1.5791 1.9449 1.9778 2.0870 2.2368 2.6243 2.8572 2.9301 3.1261 3.9396 4.0058 4.0901 4.1042 4.1760 4.1995 4.4643 4.4681 4.4925 4.5391 7.9752 8.0107 k = 0.1786 0.2741 1.0927 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9145 -22.9145 -7.6720 -7.6715 -6.8670 -6.8664 -6.7481 -6.7471 -5.9191 -5.9168 -5.8384 -5.8362 0.6807 0.7345 1.5037 1.5768 1.9489 1.9709 2.0752 2.2278 2.6314 2.8565 2.9434 3.1290 3.9357 4.0043 4.0786 4.0930 4.1690 4.1908 4.4298 4.4484 4.4779 4.5120 7.9617 7.9940 k = 0.1857 0.2574 1.1109 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9143 -22.9143 -7.6721 -7.6716 -6.8654 -6.8649 -6.7480 -6.7471 -5.9196 -5.9174 -5.8321 -5.8300 0.6714 0.7218 1.4954 1.5746 1.9521 1.9648 2.0653 2.2193 2.6389 2.8575 2.9566 3.1321 3.9334 4.0040 4.0682 4.0829 4.1636 4.1835 4.3888 4.4227 4.4693 4.4922 7.9499 7.9795 k = 0.1929 0.2406 1.1291 ( 7616 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9141 -22.9141 -7.6721 -7.6717 -6.8640 -6.8635 -6.7477 -6.7469 -5.9202 -5.9179 -5.8264 -5.8241 0.6625 0.7091 1.4879 1.5726 1.9527 1.9606 2.0575 2.2115 2.6464 2.8599 2.9695 3.1353 3.9330 4.0051 4.0588 4.0739 4.1596 4.1773 4.3473 4.3912 4.4622 4.4786 7.9404 7.9676 k = 0.2000 0.2239 1.1473 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9139 -22.9139 -7.6722 -7.6719 -6.8629 -6.8624 -6.7473 -6.7466 -5.9207 -5.9185 -5.8211 -5.8188 0.6540 0.6966 1.4811 1.5707 1.9491 1.9600 2.0521 2.2046 2.6538 2.8633 2.9819 3.1385 3.9347 4.0079 4.0505 4.0660 4.1568 4.1720 4.3064 4.3571 4.4560 4.4688 7.9334 7.9584 k = 0.2071 0.2071 1.1655 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9138 -22.9138 -7.6724 -7.6720 -6.8619 -6.8615 -6.7468 -6.7462 -5.9212 -5.9190 -5.8164 -5.8141 0.6464 0.6849 1.4752 1.5689 1.9440 1.9602 2.0488 2.1985 2.6608 2.8673 2.9935 3.1415 3.9389 4.0124 4.0433 4.0596 4.1547 4.1674 4.2671 4.3224 4.4505 4.4612 7.9289 7.9517 k = 0.2143 0.1904 1.1838 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9137 -22.9137 -7.6724 -7.6721 -6.8612 -6.8608 -6.7463 -6.7458 -5.9217 -5.9195 -5.8124 -5.8100 0.6398 0.6742 1.4702 1.5673 1.9390 1.9601 2.0472 2.1934 2.6672 2.8716 3.0041 3.1442 3.9456 4.0180 4.0370 4.0551 4.1529 4.1633 4.2304 4.2884 4.4458 4.4551 7.9268 7.9474 k = 0.2214 0.1736 1.2020 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6723 -6.8606 -6.8602 -6.7458 -6.7454 -5.9221 -5.9199 -5.8090 -5.8066 0.6343 0.6648 1.4661 1.5659 1.9346 1.9595 2.0468 2.1892 2.6727 2.8756 3.0132 3.1465 3.9549 4.0238 4.0317 4.0534 4.1503 4.1594 4.1982 4.2560 4.4419 4.4503 7.9266 7.9448 k = 0.2286 0.1569 1.2202 ( 7624 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6724 -6.8602 -6.8598 -6.7454 -6.7451 -5.9225 -5.9203 -5.8063 -5.8039 0.6300 0.6570 1.4628 1.5647 1.9310 1.9588 2.0471 2.1859 2.6772 2.8791 3.0208 3.1483 3.9664 4.0256 4.0295 4.0553 4.1436 4.1556 4.1752 4.2263 4.4387 4.4466 7.9278 7.9435 k = 0.2357 0.1401 1.2384 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8599 -6.8596 -6.7450 -6.7448 -5.9227 -5.9205 -5.8044 -5.8020 0.6271 0.6512 1.4605 1.5638 1.9284 1.9581 2.0475 2.1836 2.6805 2.8818 3.0264 3.1497 3.9796 4.0218 4.0313 4.0591 4.1316 4.1505 4.1667 4.2008 4.4365 4.4440 7.9297 7.9428 k = 0.2429 0.1233 1.2566 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8597 -6.8594 -6.7448 -6.7447 -5.9229 -5.9207 -5.8032 -5.8008 0.6253 0.6475 1.4591 1.5633 1.9268 1.9577 2.0480 2.1822 2.6825 2.8835 3.0299 3.1505 3.9924 4.0173 4.0331 4.0594 4.1259 4.1426 4.1667 4.1820 4.4352 4.4425 7.9314 7.9424 k = 0.2500 0.1066 1.2748 ( 7580 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8596 -6.8593 -6.7447 -6.7446 -5.9229 -5.9207 -5.8028 -5.8004 0.6248 0.6463 1.4587 1.5631 1.9262 1.9575 2.0481 2.1818 2.6832 2.8841 3.0310 3.1507 3.9993 4.0140 4.0342 4.0577 4.1298 4.1345 4.1704 4.1722 4.4348 4.4420 7.9321 7.9423 k = 0.2500 0.1066 1.2748 ( 7580 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8596 -6.8593 -6.7447 -6.7446 -5.9229 -5.9207 -5.8028 -5.8004 0.6248 0.6463 1.4587 1.5631 1.9262 1.9575 2.0481 2.1818 2.6832 2.8841 3.0310 3.1507 3.9993 4.0140 4.0342 4.0577 4.1298 4.1345 4.1704 4.1722 4.4348 4.4420 7.9321 7.9423 k = 0.2708 0.1155 1.2652 ( 7603 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8593 -6.7447 -6.7447 -5.9229 -5.9207 -5.8028 -5.8005 0.6250 0.6463 1.4591 1.5626 1.9264 1.9574 2.0486 2.1812 2.6839 2.8826 3.0320 3.1504 3.9980 4.0132 4.0353 4.0582 4.1281 4.1368 4.1692 4.1744 4.4348 4.4420 7.9159 7.9254 k = 0.2917 0.1244 1.2555 ( 7613 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8597 -6.8594 -6.7448 -6.7447 -5.9228 -5.9207 -5.8030 -5.8007 0.6255 0.6466 1.4605 1.5612 1.9271 1.9571 2.0502 2.1795 2.6859 2.8782 3.0349 3.1492 3.9952 4.0111 4.0382 4.0589 4.1258 4.1409 4.1687 4.1777 4.4351 4.4422 7.8778 7.8859 k = 0.3125 0.1332 1.2458 ( 7615 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8597 -6.8594 -6.7448 -6.7447 -5.9227 -5.9206 -5.8033 -5.8011 0.6265 0.6470 1.4629 1.5589 1.9282 1.9567 2.0526 2.1768 2.6893 2.8712 3.0392 3.1472 3.9919 4.0080 4.0416 4.0597 4.1243 4.1453 4.1700 4.1815 4.4356 4.4424 7.8324 7.8393 k = 0.3333 0.1421 1.2362 ( 7623 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8597 -6.8595 -6.7449 -6.7448 -5.9225 -5.9205 -5.8037 -5.8017 0.6279 0.6476 1.4661 1.5558 1.9296 1.9562 2.0557 2.1733 2.6939 2.8622 3.0444 3.1440 3.9883 4.0046 4.0445 4.0601 4.1242 4.1492 4.1733 4.1857 4.4363 4.4427 7.7873 7.7932 k = 0.3542 0.1510 1.2265 ( 7625 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8598 -6.8595 -6.7450 -6.7448 -5.9221 -5.9203 -5.8044 -5.8025 0.6298 0.6485 1.4702 1.5520 1.9315 1.9557 2.0595 2.1692 2.6996 2.8517 3.0499 3.1398 3.9847 4.0014 4.0462 4.0599 4.1258 4.1523 4.1787 4.1903 4.4372 4.4432 7.7462 7.7513 k = 0.3750 0.1599 1.2169 ( 7625 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6725 -6.8599 -6.8596 -6.7452 -6.7449 -5.9217 -5.9201 -5.8052 -5.8035 0.6321 0.6497 1.4750 1.5477 1.9338 1.9551 2.0637 2.1646 2.7063 2.8400 3.0554 3.1345 3.9811 3.9985 4.0469 4.0590 4.1292 4.1548 4.1856 4.1954 4.4383 4.4439 7.7109 7.7152 k = 0.3958 0.1688 1.2072 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6724 -6.8599 -6.8597 -6.7453 -6.7450 -5.9211 -5.9197 -5.8062 -5.8047 0.6347 0.6512 1.4804 1.5431 1.9364 1.9545 2.0681 2.1600 2.7139 2.8276 3.0606 3.1281 3.9777 3.9960 4.0468 4.0571 4.1341 4.1571 4.1935 4.2010 4.4396 4.4448 7.6822 7.6859 k = 0.4167 0.1777 1.1976 ( 7607 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6724 -6.8600 -6.8599 -6.7455 -6.7451 -5.9205 -5.9193 -5.8074 -5.8062 0.6377 0.6532 1.4864 1.5382 1.9392 1.9539 2.0723 2.1557 2.7221 2.8147 3.0651 3.1205 3.9742 3.9941 4.0463 4.0545 4.1400 4.1594 4.2018 4.2070 4.4410 4.4460 7.6608 7.6638 k = 0.4375 0.1865 1.1879 ( 7611 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6726 -7.6723 -6.8601 -6.8600 -6.7457 -6.7453 -5.9197 -5.9187 -5.8087 -5.8078 0.6409 0.6557 1.4926 1.5334 1.9423 1.9534 2.0759 2.1523 2.7307 2.8016 3.0689 3.1121 3.9706 3.9927 4.0452 4.0517 4.1467 4.1618 4.2101 4.2135 4.4425 4.4476 7.6469 7.6492 k = 0.4583 0.1954 1.1782 ( 7617 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9135 -22.9135 -7.6725 -7.6723 -6.8602 -6.8601 -6.7459 -6.7455 -5.9189 -5.9181 -5.8103 -5.8097 0.6442 0.6588 1.4987 1.5291 1.9455 1.9530 2.0782 2.1503 2.7393 2.7888 3.0716 3.1030 3.9669 3.9918 4.0429 4.0500 4.1537 4.1644 4.2182 4.2205 4.4441 4.4497 7.6406 7.6423 k = 0.4792 0.2043 1.1686 ( 7624 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6722 -6.8603 -6.8603 -6.7461 -6.7457 -5.9180 -5.9174 -5.8120 -5.8117 0.6476 0.6625 1.5037 1.5263 1.9485 1.9530 2.0788 2.1504 2.7471 2.7770 3.0725 3.0941 3.9630 3.9914 4.0392 4.0498 4.1610 4.1672 4.2260 4.2280 4.4457 4.4522 7.6417 7.6430 k = 0.5000 0.2132 1.1589 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6722 -6.8605 -6.8605 -6.7463 -6.7459 -5.9172 -5.9166 -5.8138 -5.8138 0.6508 0.6668 1.5060 1.5266 1.9505 1.9541 2.0774 2.1528 2.7499 2.7704 3.0696 3.0878 3.9591 3.9914 4.0349 4.0506 4.1684 4.1705 4.2336 4.2356 4.4475 4.4551 7.6501 7.6512 k = 0.5000 0.2132 1.1589 ( 7620 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9136 -22.9136 -7.6725 -7.6722 -6.8605 -6.8605 -6.7463 -6.7459 -5.9172 -5.9166 -5.8138 -5.8138 0.6508 0.6668 1.5060 1.5266 1.9505 1.9541 2.0774 2.1528 2.7499 2.7704 3.0696 3.0878 3.9591 3.9914 4.0349 4.0506 4.1684 4.1705 4.2336 4.2356 4.4475 4.4551 7.6501 7.6512 k = 0.5000 0.2132 1.1332 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9137 -22.9137 -7.6723 -7.6720 -6.8609 -6.8609 -6.7471 -6.7465 -5.9150 -5.9142 -5.8197 -5.8197 0.6606 0.6803 1.5072 1.5332 1.9532 1.9609 2.0716 2.1619 2.7424 2.7671 3.0532 3.0763 3.9486 3.9914 4.0254 4.0545 4.1824 4.1874 4.2546 4.2553 4.4532 4.4650 7.6847 7.6860 k = 0.5000 0.2132 1.1074 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9139 -22.9139 -7.6722 -7.6717 -6.8614 -6.8614 -6.7480 -6.7472 -5.9124 -5.9115 -5.8267 -5.8267 0.6724 0.6960 1.5087 1.5408 1.9550 1.9694 2.0675 2.1711 2.7342 2.7628 3.0345 3.0632 3.9392 3.9887 4.0214 4.0594 4.1973 4.2067 4.2728 4.2765 4.4610 4.4784 7.7251 7.7266 k = 0.5000 0.2132 1.0817 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9140 -22.9140 -7.6719 -7.6715 -6.8619 -6.8619 -6.7490 -6.7481 -5.9095 -5.9086 -5.8347 -5.8346 0.6864 0.7139 1.5104 1.5490 1.9555 1.9797 2.0655 2.1803 2.7255 2.7577 3.0140 3.0491 3.9309 3.9829 4.0239 4.0654 4.2148 4.2260 4.2875 4.2982 4.4715 4.4955 7.7707 7.7723 k = 0.5000 0.2132 1.0559 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9142 -22.9142 -7.6717 -7.6711 -6.8625 -6.8624 -6.7501 -6.7491 -5.9065 -5.9055 -5.8435 -5.8435 0.7023 0.7339 1.5123 1.5580 1.9541 1.9918 2.0662 2.1894 2.7166 2.7516 2.9922 3.0346 3.9242 3.9759 4.0310 4.0724 4.2347 4.2452 4.2992 4.3189 4.4854 4.5165 7.8205 7.8223 k = 0.5000 0.2132 1.0302 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9144 -22.9144 -7.6714 -7.6708 -6.8630 -6.8629 -6.7514 -6.7502 -5.9033 -5.9023 -5.8531 -5.8531 0.7201 0.7559 1.5140 1.5675 1.9505 2.0057 2.0697 2.1984 2.7074 2.7447 2.9696 3.0202 3.9188 3.9692 4.0414 4.0807 4.2565 4.2639 4.3080 4.3380 4.5030 4.5410 7.8734 7.8752 k = 0.5000 0.2132 1.0044 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9146 -22.9146 -7.6710 -7.6703 -6.8635 -6.8634 -6.7528 -6.7514 -5.9002 -5.8991 -5.8635 -5.8634 0.7397 0.7800 1.5156 1.5775 1.9451 2.0216 2.0758 2.2073 2.6980 2.7369 2.9466 3.0067 3.9148 3.9633 4.0542 4.0903 4.2797 4.2818 4.3143 4.3553 4.5247 4.5685 7.9279 7.9298 k = 0.5000 0.2132 0.9787 ( 7624 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9149 -22.9149 -7.6706 -7.6699 -6.8640 -6.8638 -6.7544 -6.7527 -5.8971 -5.8963 -5.8744 -5.8740 0.7610 0.8059 1.5170 1.5878 1.9381 2.0393 2.0841 2.2159 2.6885 2.7282 2.9239 2.9947 3.9120 3.9585 4.0692 4.1012 4.2982 4.3033 4.3198 4.3716 4.5501 4.5984 7.9823 7.9841 k = 0.5000 0.2132 0.9529 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9151 -22.9151 -7.6701 -7.6693 -6.8643 -6.8641 -6.7561 -6.7542 -5.8951 -5.8946 -5.8853 -5.8837 0.7839 0.8335 1.5181 1.5983 1.9302 2.0590 2.0940 2.2242 2.6788 2.7188 2.9022 2.9845 3.9105 3.9548 4.0863 4.1136 4.3122 4.3167 4.3349 4.3881 4.5786 4.6302 8.0343 8.0358 k = 0.5000 0.2132 0.9271 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9043 -22.9154 -22.9154 -7.6696 -7.6687 -6.8646 -6.8642 -6.7579 -6.7558 -5.9010 -5.8992 -5.8900 -5.8870 0.8082 0.8629 1.5189 1.6087 1.9217 2.0805 2.1050 2.2322 2.6685 2.7088 2.8822 2.9766 3.9100 3.9521 4.1053 4.1274 4.3189 4.3232 4.3609 4.4057 4.6096 4.6634 8.0811 8.0822 k = 0.5000 0.2132 0.9014 ( 7614 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0050 -42.9044 -42.9043 -22.9157 -22.9157 -7.6689 -7.6680 -6.8647 -6.8643 -6.7600 -6.7576 -5.9122 -5.9108 -5.8880 -5.8855 0.8339 0.8938 1.5194 1.6189 1.9131 2.1037 2.1166 2.2398 2.6576 2.6988 2.8648 2.9713 3.9104 3.9504 4.1262 4.1426 4.3188 4.3312 4.3889 4.4249 4.6424 4.6976 8.1198 8.1201 k = 0.5000 0.2132 0.8756 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0050 -43.0050 -42.9044 -42.9043 -22.9160 -22.9160 -7.6682 -7.6672 -6.8646 -6.8641 -6.7622 -6.7596 -5.9244 -5.9232 -5.8860 -5.8836 0.8608 0.9261 1.5196 1.6287 1.9049 2.1282 2.1286 2.2469 2.6456 2.6890 2.8505 2.9685 3.9117 3.9495 4.1489 4.1593 4.3176 4.3365 4.4178 4.4455 4.6766 4.7326 8.1469 8.1475 k = 0.5000 0.2132 0.8499 ( 7572 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9163 -22.9163 -7.6675 -7.6664 -6.8643 -6.8637 -6.7646 -6.7617 -5.9369 -5.9357 -5.8844 -5.8820 0.8888 0.9598 1.5195 1.6380 1.8973 2.1395 2.1549 2.2536 2.6325 2.6803 2.8400 2.9683 3.9138 3.9494 4.1734 4.1773 4.3155 4.3397 4.4474 4.4673 4.7119 4.7682 8.1608 8.1626 k = 0.5000 0.2132 0.8241 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9166 -22.9166 -7.6666 -7.6655 -6.8639 -6.8632 -6.7672 -6.7640 -5.9495 -5.9482 -5.8832 -5.8808 0.9178 0.9947 1.5192 1.6464 1.8908 2.1499 2.1824 2.2597 2.6184 2.6733 2.8336 2.9706 3.9164 3.9499 4.1966 4.1994 4.3127 4.3411 4.4774 4.4898 4.7477 4.8040 8.1620 8.1650 k = 0.5000 0.2132 0.7984 ( 7586 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9169 -22.9169 -7.6657 -7.6645 -6.8632 -6.8624 -6.7699 -6.7664 -5.9620 -5.9606 -5.8826 -5.8803 0.9476 1.0306 1.5188 1.6538 1.8854 2.1589 2.2107 2.2652 2.6036 2.6686 2.8313 2.9751 3.9196 3.9511 4.2172 4.2270 4.3092 4.3411 4.5076 4.5126 4.7840 4.8399 8.1522 8.1563 k = 0.5000 0.2132 0.7726 ( 7594 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9173 -22.9173 -7.6647 -7.6634 -6.8624 -6.8614 -6.7729 -6.7691 -5.9744 -5.9729 -5.8827 -5.8803 0.9781 1.0674 1.5183 1.6602 1.8816 2.1662 2.2394 2.2703 2.5891 2.6670 2.8328 2.9816 3.9233 3.9528 4.2388 4.2560 4.3051 4.3401 4.5354 4.5379 4.8206 4.8759 8.1343 8.1393 k = 0.5000 0.2132 0.7469 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9176 -22.9176 -7.6636 -7.6623 -6.8613 -6.8602 -6.7760 -6.7718 -5.9864 -5.9848 -5.8834 -5.8810 1.0092 1.1050 1.5179 1.6653 1.8792 2.1715 2.2674 2.2750 2.5758 2.6690 2.8379 2.9900 3.9274 3.9549 4.2613 4.2864 4.3006 4.3381 4.5581 4.5681 4.8572 4.9117 8.1115 8.1173 k = 0.5000 0.2132 0.7211 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9180 -22.9180 -7.6624 -7.6611 -6.8601 -6.8588 -6.7792 -6.7748 -5.9981 -5.9964 -5.8849 -5.8825 1.0408 1.1432 1.5176 1.6694 1.8785 2.1747 2.2783 2.2950 2.5650 2.6747 2.8462 3.0001 3.9319 3.9574 4.2840 4.2964 4.3178 4.3354 4.5804 4.5982 4.8938 4.9473 8.0867 8.0932 k = 0.5000 0.2132 0.6954 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9184 -22.9184 -7.6612 -7.6598 -6.8586 -6.8573 -6.7825 -6.7777 -6.0094 -6.0076 -5.8871 -5.8847 1.0726 1.1818 1.5176 1.6724 1.8793 2.1758 2.2818 2.3191 2.5586 2.6846 2.8573 3.0118 3.9366 3.9602 4.2886 4.3104 4.3315 4.3507 4.6022 4.6280 4.9302 4.9825 8.0623 8.0694 k = 0.5000 0.2132 0.6696 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0050 -43.0050 -42.9044 -42.9043 -22.9187 -22.9187 -7.6599 -7.6585 -6.8571 -6.8556 -6.7858 -6.7808 -6.0202 -6.0182 -5.8901 -5.8877 1.1047 1.2207 1.5179 1.6744 1.8815 2.1751 2.2846 2.3384 2.5588 2.6983 2.8707 3.0248 3.9416 3.9633 4.2828 4.3273 4.3347 4.3839 4.6234 4.6573 4.9661 5.0171 8.0402 8.0478 k = 0.5000 0.2132 0.6439 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9191 -22.9191 -7.6586 -7.6571 -6.8555 -6.8539 -6.7890 -6.7837 -6.0304 -6.0284 -5.8938 -5.8914 1.1367 1.2595 1.5186 1.6759 1.8848 2.1729 2.2868 2.3514 2.5673 2.7157 2.8864 3.0390 3.9467 3.9665 4.2762 4.3224 4.3597 4.4175 4.6443 4.6863 5.0016 5.0511 8.0220 8.0299 k = 0.5000 0.2132 0.6181 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9195 -22.9195 -7.6572 -7.6556 -6.8540 -6.8523 -6.7919 -6.7864 -6.0400 -6.0379 -5.8984 -5.8960 1.1686 1.2981 1.5197 1.6768 1.8892 2.1696 2.2885 2.3574 2.5847 2.7364 2.9039 3.0544 3.9520 3.9699 4.2690 4.3168 4.3847 4.4511 4.6648 4.7149 5.0363 5.0843 8.0086 8.0168 k = 0.5000 0.2132 0.5923 ( 7602 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9199 -22.9199 -7.6557 -7.6542 -6.8526 -6.8509 -6.7945 -6.7889 -6.0491 -6.0469 -5.9038 -5.9014 1.2003 1.3362 1.5213 1.6776 1.8943 2.1658 2.2895 2.3579 2.6099 2.7602 2.9232 3.0708 3.9573 3.9734 4.2614 4.3107 4.4094 4.4839 4.6855 4.7431 5.0703 5.1166 8.0010 8.0092 k = 0.5000 0.2132 0.5666 ( 7604 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9202 -22.9202 -7.6543 -7.6527 -6.8515 -6.8500 -6.7963 -6.7907 -6.0575 -6.0552 -5.9099 -5.9076 1.2315 1.3735 1.5235 1.6783 1.9002 2.1617 2.2899 2.3546 2.6409 2.7864 2.9439 3.0881 3.9627 3.9768 4.2532 4.3039 4.4335 4.5151 4.7070 4.7711 5.1034 5.1479 7.9997 8.0078 k = 0.5000 0.2132 0.5408 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9206 -22.9206 -7.6528 -7.6512 -6.8510 -6.8497 -6.7973 -6.7919 -6.0652 -6.0629 -5.9167 -5.9145 1.2623 1.4097 1.5262 1.6792 1.9068 2.1578 2.2895 2.3495 2.6760 2.8149 2.9660 3.1062 3.9680 3.9802 4.2446 4.2965 4.4564 4.5436 4.7302 4.7991 5.1354 5.1780 8.0050 8.0128 k = 0.5000 0.2132 0.5151 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9210 -22.9210 -7.6513 -7.6497 -6.8511 -6.8503 -6.7971 -6.7922 -6.0723 -6.0700 -5.9243 -5.9221 1.2924 1.4444 1.5295 1.6802 1.9141 2.1544 2.2885 2.3437 2.7138 2.8451 2.9893 3.1250 3.9733 3.9835 4.2354 4.2886 4.4780 4.5683 4.7561 4.8272 5.1662 5.2070 8.0173 8.0242 k = 0.5000 0.2132 0.4893 ( 7616 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9213 -22.9213 -7.6499 -7.6482 -6.8519 -6.8517 -6.7958 -6.7914 -6.0788 -6.0765 -5.9325 -5.9304 1.3217 1.4772 1.5333 1.6816 1.9222 2.1517 2.2868 2.3379 2.7535 2.8769 3.0137 3.1445 3.9785 3.9866 4.2257 4.2800 4.4977 4.5885 4.7853 4.8559 5.1957 5.2346 8.0364 8.0420 k = 0.5000 0.2132 0.4636 ( 7624 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0049 -42.9044 -42.9043 -22.9217 -22.9217 -7.6484 -7.6468 -6.8539 -6.8536 -6.7934 -6.7896 -6.0847 -6.0823 -5.9413 -5.9393 1.3501 1.5076 1.5377 1.6833 1.9313 2.1498 2.2845 2.3326 2.7944 2.9098 3.0389 3.1645 3.9836 3.9896 4.2155 4.2709 4.5153 4.6037 4.8181 4.8852 5.2238 5.2608 8.0620 8.0653 k = 0.5000 0.2132 0.4378 ( 7612 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2222 -43.0049 -43.0048 -42.9044 -42.9043 -22.9220 -22.9220 -7.6470 -7.6454 -6.8568 -6.8558 -6.7900 -6.7868 -6.0899 -6.0876 -5.9507 -5.9487 1.3774 1.5353 1.5426 1.6854 1.9418 2.1489 2.2818 2.3278 2.8360 2.9436 3.0650 3.1849 3.9886 3.9923 4.2049 4.2612 4.5306 4.6144 4.8541 4.9153 5.2505 5.2856 8.0926 8.0933 k = 0.5000 0.2132 0.4121 ( 7616 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9223 -22.9223 -7.6457 -7.6441 -6.8600 -6.8586 -6.7858 -6.7832 -6.0946 -6.0923 -5.9605 -5.9586 1.4037 1.5479 1.5599 1.6877 1.9538 2.1490 2.2789 2.3236 2.8780 2.9780 3.0918 3.2056 3.9933 3.9947 4.1937 4.2509 4.5434 4.6210 4.8925 4.9463 5.2757 5.3089 8.1189 8.1279 k = 0.5000 0.2132 0.3863 ( 7608 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9226 -22.9226 -7.6444 -7.6428 -6.8636 -6.8617 -6.7810 -6.7789 -6.0987 -6.0965 -5.9706 -5.9688 1.4289 1.5537 1.5812 1.6901 1.9675 2.1499 2.2758 2.3197 2.9200 3.0128 3.1193 3.2267 3.9968 3.9978 4.1821 4.2401 4.5538 4.6244 4.9327 4.9783 5.2995 5.3308 8.1249 8.1544 k = 0.5000 0.2132 0.3606 ( 7588 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9229 -22.9229 -7.6432 -7.6416 -6.8672 -6.8651 -6.7758 -6.7741 -6.1022 -6.1001 -5.9811 -5.9794 1.4528 1.5599 1.5991 1.6926 1.9831 2.1518 2.2729 2.3161 2.9617 3.0476 3.1473 3.2479 3.9984 4.0020 4.1702 4.2289 4.5618 4.6253 4.9738 5.0110 5.3217 5.3513 8.0639 8.1043 k = 0.5000 0.2132 0.3348 ( 7600 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9232 -22.9232 -7.6420 -7.6405 -6.8708 -6.8685 -6.7702 -6.7688 -6.1053 -6.1033 -5.9917 -5.9901 1.4754 1.5664 1.6137 1.6949 2.0004 2.1545 2.2701 2.3125 3.0026 3.0821 3.1758 3.2691 3.9995 4.0057 4.1579 4.2171 4.5676 4.6240 5.0153 5.0441 5.3425 5.3704 7.9739 8.0296 k = 0.5000 0.2132 0.3090 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9235 -22.9235 -7.6409 -7.6395 -6.8744 -6.8720 -6.7644 -6.7633 -6.1080 -6.1060 -6.0024 -6.0009 1.4967 1.5731 1.6255 1.6967 2.0192 2.1578 2.2676 2.3090 3.0425 3.1160 3.2047 3.2905 4.0000 4.0088 4.1456 4.2051 4.5716 4.6212 5.0564 5.0774 5.3620 5.3882 7.8805 7.9294 k = 0.5000 0.2132 0.2833 ( 7592 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9237 -22.9237 -7.6399 -7.6386 -6.8778 -6.8754 -6.7585 -6.7577 -6.1101 -6.1084 -6.0130 -6.0116 1.5167 1.5800 1.6347 1.6979 2.0391 2.1618 2.2651 2.3053 3.0808 3.1488 3.2339 3.3118 3.9998 4.0113 4.1332 4.1928 4.5739 4.6172 5.0965 5.1103 5.3805 5.4050 7.7872 7.8307 k = 0.5000 0.2132 0.2575 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9240 -22.9240 -7.6390 -7.6378 -6.8810 -6.8786 -6.7526 -6.7520 -6.1119 -6.1103 -6.0234 -6.0222 1.5354 1.5870 1.6417 1.6984 2.0598 2.1664 2.2627 2.3014 3.1173 3.1801 3.2633 3.3331 3.9989 4.0127 4.1213 4.1804 4.5749 4.6123 5.1349 5.1425 5.3980 5.4207 7.6966 7.7360 k = 0.5000 0.2132 0.2318 ( 7570 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9043 -22.9242 -22.9242 -7.6382 -7.6370 -6.8839 -6.8816 -6.7468 -6.7464 -6.1133 -6.1118 -6.0336 -6.0324 1.5528 1.5940 1.6471 1.6980 2.0808 2.1714 2.2602 2.2973 3.1516 3.2093 3.2928 3.3543 3.9971 4.0129 4.1103 4.1681 4.5749 4.6070 5.1709 5.1733 5.4149 5.4358 7.6103 7.6464 k = 0.5000 0.2132 0.2060 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9244 -22.9244 -7.6375 -7.6364 -6.8866 -6.8844 -6.7413 -6.7409 -6.1143 -6.1130 -6.0433 -6.0423 1.5689 1.6010 1.6509 1.6968 2.1016 2.1768 2.2575 2.2929 3.1832 3.2360 3.3222 3.3753 3.9944 4.0112 4.1007 4.1561 4.5741 4.6014 5.2021 5.2038 5.4315 5.4503 7.5297 7.5627 k = 0.5000 0.2132 0.1803 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9246 -22.9246 -7.6369 -7.6359 -6.8889 -6.8869 -6.7360 -6.7358 -6.1149 -6.1138 -6.0524 -6.0516 1.5838 1.6078 1.6536 1.6947 2.1220 2.1825 2.2546 2.2882 3.2119 3.2597 3.3509 3.3960 3.9908 4.0075 4.0931 4.1448 4.5730 4.5958 5.2284 5.2329 5.4479 5.4643 7.4558 7.4858 k = 0.5000 0.2132 0.1545 ( 7596 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9247 -22.9247 -7.6363 -7.6355 -6.8910 -6.8892 -6.7312 -6.7311 -6.1152 -6.1143 -6.0609 -6.0602 1.5975 1.6145 1.6551 1.6918 2.1416 2.1884 2.2512 2.2830 3.2375 3.2799 3.3786 3.4160 3.9862 4.0016 4.0879 4.1342 4.5716 4.5905 5.2517 5.2577 5.4641 5.4779 7.3896 7.4164 k = 0.5000 0.2132 0.1288 ( 7598 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9249 -22.9249 -7.6358 -7.6351 -6.8927 -6.8912 -6.7270 -6.7269 -6.1152 -6.1144 -6.0686 -6.0680 1.6102 1.6208 1.6557 1.6881 2.1600 2.1946 2.2475 2.2773 3.2600 3.2964 3.4045 3.4348 3.9811 3.9941 4.0851 4.1246 4.5703 4.5855 5.2715 5.2780 5.4798 5.4909 7.3320 7.3553 k = 0.5000 0.2132 0.1030 ( 7590 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9250 -22.9250 -7.6354 -7.6349 -6.8941 -6.8928 -6.7233 -6.7232 -6.1149 -6.1143 -6.0753 -6.0748 1.6218 1.6269 1.6554 1.6837 2.1772 2.2010 2.2433 2.2709 3.2792 3.3090 3.4279 3.4516 3.9757 3.9859 4.0842 4.1162 4.5691 4.5810 5.2877 5.2937 5.4944 5.5028 7.2840 7.3033 k = 0.5000 0.2132 0.0773 ( 7584 PWs) bands (ev): -74.6028 -74.6028 -44.2222 -44.2221 -43.0048 -43.0048 -42.9044 -42.9044 -22.9250 -22.9250 -7.6351 -7.6347 -6.8951 -6.8941 -6.7204 -6.7203 -6.1144 -6.1139 -6.0809 -6.0805 1.6319 1.6330 1.6542 1.6786 2.1926 2.2079 2.2387 2.2638 3.2951 3.3179 3.4479 3.4654 3.9706 3.9779 4.0849 4.1088 4.5684 4.5771 5.3004 5.3053 5.5072 5.5130 7.2462 7.2612 k = 0.5000 0.2132 0.0515 ( 7566 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6349 -7.6346 -6.8958 -6.8951 -6.7182 -6.7182 -6.1137 -6.1134 -6.0852 -6.0850 1.6375 1.6422 1.6523 1.6728 2.2055 2.2159 2.2336 2.2557 3.3076 3.3231 3.4638 3.4753 3.9666 3.9712 4.0867 4.1026 4.5682 4.5739 5.3095 5.3129 5.5172 5.5209 7.2195 7.2298 k = 0.5000 0.2132 0.0258 ( 7578 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6347 -7.6345 -6.8961 -6.8958 -6.7169 -6.7169 -6.1131 -6.1129 -6.0879 -6.0878 1.6422 1.6496 1.6510 1.6663 2.2148 2.2258 2.2280 2.2466 3.3167 3.3245 3.4748 3.4805 3.9641 3.9663 4.0893 4.0973 4.5685 4.5713 5.3152 5.3170 5.5239 5.5256 7.2043 7.2095 k = 0.5000 0.2132 0.0000 ( 7566 PWs) bands (ev): -74.6028 -74.6028 -44.2221 -44.2221 -43.0047 -43.0047 -42.9044 -42.9044 -22.9251 -22.9251 -7.6346 -7.6346 -6.8961 -6.8961 -6.7164 -6.7164 -6.1128 -6.1128 -6.0889 -6.0889 1.6462 1.6462 1.6591 1.6591 2.2219 2.2219 2.2365 2.2365 3.3224 3.3224 3.4804 3.4804 3.9640 3.9640 4.0929 4.0929 4.5696 4.5696 5.3177 5.3177 5.5267 5.5267 7.2010 7.2010 k = 0.0000 0.0000 1.2748 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8595 -6.7447 -6.7447 -5.9220 -5.9220 -5.8015 -5.8015 0.6350 0.6350 1.5078 1.5078 1.9418 1.9418 2.1125 2.1125 2.7719 2.7719 3.1091 3.1091 3.9931 3.9931 4.0624 4.0624 4.1329 4.1329 4.1734 4.1734 4.4382 4.4382 7.5779 7.5779 k = 0.0227 0.0097 1.2748 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8595 -6.7447 -6.7447 -5.9221 -5.9218 -5.8016 -5.8013 0.6335 0.6366 1.5005 1.5153 1.9396 1.9441 2.1033 2.1219 2.7590 2.7851 3.1015 3.1163 3.9928 3.9938 4.0610 4.0632 4.1325 4.1332 4.1732 4.1735 4.4377 4.4387 7.5817 7.5824 k = 0.0455 0.0194 1.2748 ( 7628 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6726 -7.6726 -6.8595 -6.8594 -6.7447 -6.7447 -5.9223 -5.9216 -5.8018 -5.8011 0.6320 0.6381 1.4935 1.5226 1.9374 1.9462 2.0943 2.1311 2.7466 2.7984 3.0933 3.1228 3.9928 3.9949 4.0591 4.0636 4.1321 4.1335 4.1729 4.1735 4.4372 4.4393 7.5936 7.5951 k = 0.0682 0.0291 1.2748 ( 7618 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8594 -6.7447 -6.7447 -5.9224 -5.9215 -5.8020 -5.8010 0.6306 0.6396 1.4869 1.5298 1.9353 1.9483 2.0857 2.1401 2.7348 2.8118 3.0847 3.1286 3.9932 3.9964 4.0567 4.0636 4.1318 4.1338 4.1725 4.1734 4.4367 4.4398 7.6136 7.6158 k = 0.0909 0.0388 1.2748 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8594 -6.7447 -6.7447 -5.9225 -5.9213 -5.8021 -5.8009 0.6294 0.6410 1.4807 1.5367 1.9334 1.9503 2.0777 2.1487 2.7239 2.8249 3.0758 3.1338 3.9939 3.9983 4.0539 4.0631 4.1314 4.1340 4.1722 4.1732 4.4362 4.4402 7.6413 7.6443 k = 0.1136 0.0485 1.2748 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8594 -6.7447 -6.7447 -5.9226 -5.9212 -5.8023 -5.8008 0.6282 0.6423 1.4751 1.5431 1.9316 1.9521 2.0704 2.1566 2.7138 2.8376 3.0668 3.1383 3.9948 4.0005 4.0508 4.0623 4.1310 4.1341 4.1718 4.1730 4.4359 4.4407 7.6764 7.6801 k = 0.1364 0.0581 1.2748 ( 7626 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8594 -6.7447 -6.7447 -5.9227 -5.9210 -5.8024 -5.8007 0.6272 0.6434 1.4703 1.5488 1.9300 1.9537 2.0639 2.1638 2.7050 2.8497 3.0580 3.1421 3.9959 4.0031 4.0473 4.0613 4.1306 4.1342 4.1714 4.1728 4.4355 4.4410 7.7183 7.7227 k = 0.1591 0.0678 1.2748 ( 7630 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8594 -6.7447 -6.7447 -5.9228 -5.9209 -5.8026 -5.8006 0.6263 0.6444 1.4662 1.5538 1.9287 1.9550 2.0584 2.1700 2.6974 2.8607 3.0497 3.1452 3.9969 4.0059 4.0437 4.0602 4.1303 4.1343 4.1710 4.1726 4.4352 4.4414 7.7658 7.7712 k = 0.1818 0.0775 1.2748 ( 7622 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8593 -6.7447 -6.7447 -5.9228 -5.9208 -5.8027 -5.8005 0.6257 0.6452 1.4629 1.5578 1.9276 1.9561 2.0540 2.1750 2.6913 2.8702 3.0422 3.1476 3.9979 4.0087 4.0402 4.0592 4.1301 4.1344 4.1708 4.1724 4.4350 4.4416 7.8174 7.8237 k = 0.2045 0.0872 1.2748 ( 7610 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8593 -6.7447 -6.7446 -5.9229 -5.9208 -5.8027 -5.8005 0.6252 0.6458 1.4606 1.5607 1.9269 1.9569 2.0507 2.1787 2.6868 2.8776 3.0363 3.1493 3.9987 4.0114 4.0371 4.0583 4.1299 4.1344 4.1706 4.1723 4.4349 4.4419 7.8693 7.8769 k = 0.2273 0.0969 1.2748 ( 7606 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6726 -6.8596 -6.8593 -6.7447 -6.7446 -5.9229 -5.9207 -5.8028 -5.8004 0.6249 0.6461 1.4591 1.5625 1.9264 1.9573 2.0488 2.1810 2.6841 2.8824 3.0324 3.1504 3.9992 4.0134 4.0348 4.0578 4.1298 4.1345 4.1704 4.1722 4.4348 4.4420 7.9132 7.9224 k = 0.2500 0.1066 1.2748 ( 7580 PWs) bands (ev): -74.6028 -74.6028 -44.2223 -44.2223 -43.0051 -43.0051 -42.9044 -42.9044 -22.9134 -22.9134 -7.6727 -7.6725 -6.8596 -6.8593 -6.7447 -6.7446 -5.9229 -5.9207 -5.8028 -5.8004 0.6248 0.6463 1.4587 1.5631 1.9262 1.9575 2.0481 2.1818 2.6832 2.8841 3.0310 3.1507 3.9993 4.0140 4.0342 4.0577 4.1298 4.1345 4.1704 4.1722 4.4348 4.4420 7.9321 7.9423 Writing output data file RbMnTe2.save init_run : 4.50s CPU 10.26s WALL ( 1 calls) electrons : 1246.61s CPU 1257.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.72s CPU 2.01s WALL ( 1 calls) Called by electrons: c_bands : 1246.58s CPU 1257.61s WALL ( 1 calls) v_of_rho : 0.29s CPU 1.14s WALL ( 1 calls) v_h : 0.02s CPU 0.04s WALL ( 1 calls) v_xc : 0.26s CPU 0.70s WALL ( 1 calls) newd : 0.71s CPU 0.99s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 302 calls) cegterg : 1161.86s CPU 1169.55s WALL ( 669 calls) Called by sum_band: Called by *egterg: h_psi : 974.93s CPU 986.09s WALL ( 11438 calls) s_psi : 17.56s CPU 17.95s WALL ( 11438 calls) g_psi : 0.91s CPU 0.91s WALL ( 10467 calls) cdiaghg : 141.16s CPU 138.55s WALL ( 10769 calls) cegterg:over : 45.21s CPU 43.32s WALL ( 10467 calls) cegterg:upda : 12.57s CPU 15.69s WALL ( 10467 calls) cegterg:last : 11.52s CPU 12.29s WALL ( 1819 calls) Called by h_psi: h_psi:vloc : 929.76s CPU 939.53s WALL ( 11438 calls) h_psi:vnl : 44.63s CPU 45.47s WALL ( 11438 calls) add_vuspsi : 13.12s CPU 16.18s WALL ( 11438 calls) General routines calbec : 31.45s CPU 29.21s WALL ( 11438 calls) fft : 0.37s CPU 1.48s WALL ( 19 calls) ffts : 0.06s CPU 0.06s WALL ( 4 calls) fftw : 591.67s CPU 594.30s WALL ( 924260 calls) interpolate : 0.11s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 1.70s WALL ( 604 calls) Parallel routines fft_scatter : 274.32s CPU 284.50s WALL ( 924283 calls) PWSCF : 21m50.99s CPU 24m16.18s WALL This run was terminated on: 0:52:11 21Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=