Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:58:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H5CBrN.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 93 56 16 3185 1516 233 Max 94 57 17 3187 1533 235 Sum 3351 2045 585 114675 54855 8423 bravais-lattice index = 14 lattice parameter (alat) = 14.9991 a.u. unit-cell volume = 1148.2053 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 4 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.999129 celldm(2)= 1.000000 celldm(3)= 0.606587 celldm(4)= 0.187306 celldm(5)= 0.187306 celldm(6)= 0.820190 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.820190 0.572091 0.000000 ) a(3) = ( 0.113617 0.035710 0.594780 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.433672 -0.104947 ) b(2) = ( 0.000000 1.747974 -0.104947 ) b(3) = ( 0.000000 0.000000 1.681293 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0227273 0.0071432 -0.0047703), wk = 0.0033223 k( 3) = ( 0.0454546 0.0142865 -0.0095407), wk = 0.0033223 k( 4) = ( 0.0681818 0.0214297 -0.0143110), wk = 0.0033223 k( 5) = ( 0.0909091 0.0285730 -0.0190813), wk = 0.0033223 k( 6) = ( 0.1136364 0.0357162 -0.0238517), wk = 0.0033223 k( 7) = ( 0.1363636 0.0428595 -0.0286220), wk = 0.0033223 k( 8) = ( 0.1590909 0.0500027 -0.0333923), wk = 0.0033223 k( 9) = ( 0.1818182 0.0571459 -0.0381627), wk = 0.0033223 k( 10) = ( 0.2045454 0.0642892 -0.0429330), wk = 0.0033223 k( 11) = ( 0.2272727 0.0714324 -0.0477033), wk = 0.0033223 k( 12) = ( 0.2500000 0.0785757 -0.0524737), wk = 0.0033223 k( 13) = ( 0.2727273 0.0857189 -0.0572440), wk = 0.0033223 k( 14) = ( 0.2954545 0.0928622 -0.0620143), wk = 0.0033223 k( 15) = ( 0.3181818 0.1000054 -0.0667847), wk = 0.0033223 k( 16) = ( 0.3409091 0.1071486 -0.0715550), wk = 0.0033223 k( 17) = ( 0.3636364 0.1142919 -0.0763253), wk = 0.0033223 k( 18) = ( 0.3863636 0.1214351 -0.0810957), wk = 0.0033223 k( 19) = ( 0.4090909 0.1285784 -0.0858660), wk = 0.0033223 k( 20) = ( 0.4318182 0.1357216 -0.0906363), wk = 0.0033223 k( 21) = ( 0.4545455 0.1428649 -0.0954067), wk = 0.0033223 k( 22) = ( 0.4772727 0.1500081 -0.1001770), wk = 0.0033223 k( 23) = ( 0.5000000 0.1571513 -0.1049473), wk = 0.0033223 k( 24) = ( 0.5000000 0.1571513 -0.1049473), wk = 0.0033223 k( 25) = ( 0.5046845 0.1586237 -0.0804240), wk = 0.0033223 k( 26) = ( 0.5093691 0.1600961 -0.0559007), wk = 0.0033223 k( 27) = ( 0.5140536 0.1615684 -0.0313774), wk = 0.0033223 k( 28) = ( 0.5187382 0.1630408 -0.0068541), wk = 0.0033223 k( 29) = ( 0.5234227 0.1645132 0.0176692), wk = 0.0033223 k( 30) = ( 0.5281073 0.1659855 0.0421925), wk = 0.0033223 k( 31) = ( 0.5327918 0.1674579 0.0667159), wk = 0.0033223 k( 32) = ( 0.5374764 0.1689303 0.0912392), wk = 0.0033223 k( 33) = ( 0.5421609 0.1704026 0.1157625), wk = 0.0033223 k( 34) = ( 0.5468454 0.1718750 0.1402858), wk = 0.0033223 k( 35) = ( 0.5515300 0.1733474 0.1648091), wk = 0.0033223 k( 36) = ( 0.5562145 0.1748197 0.1893324), wk = 0.0033223 k( 37) = ( 0.5608991 0.1762921 0.2138557), wk = 0.0033223 k( 38) = ( 0.5655836 0.1777645 0.2383790), wk = 0.0033223 k( 39) = ( 0.5702681 0.1792368 0.2629023), wk = 0.0033223 k( 40) = ( 0.5749527 0.1807092 0.2874257), wk = 0.0033223 k( 41) = ( 0.5796372 0.1821815 0.3119490), wk = 0.0033223 k( 42) = ( 0.5843218 0.1836539 0.3364723), wk = 0.0033223 k( 43) = ( 0.5890063 0.1851263 0.3609956), wk = 0.0033223 k( 44) = ( 0.5936909 0.1865986 0.3855189), wk = 0.0033223 k( 45) = ( 0.5983754 0.1880710 0.4100422), wk = 0.0033223 k( 46) = ( 0.6030600 0.1895434 0.4345655), wk = 0.0033223 k( 47) = ( 0.6077445 0.1910157 0.4590888), wk = 0.0033223 k( 48) = ( 0.6124291 0.1924881 0.4836121), wk = 0.0033223 k( 49) = ( 0.6171136 0.1939605 0.5081354), wk = 0.0033223 k( 50) = ( 0.6217981 0.1954328 0.5326588), wk = 0.0033223 k( 51) = ( 0.6264827 0.1969052 0.5571821), wk = 0.0033223 k( 52) = ( 0.6311672 0.1983776 0.5817054), wk = 0.0033223 k( 53) = ( 0.6358518 0.1998499 0.6062287), wk = 0.0033223 k( 54) = ( 0.6405363 0.2013223 0.6307520), wk = 0.0033223 k( 55) = ( 0.6405363 0.2013223 0.6307520), wk = 0.0033223 k( 56) = ( 0.6229693 0.1958009 0.6438704), wk = 0.0033223 k( 57) = ( 0.6054022 0.1902796 0.6569888), wk = 0.0033223 k( 58) = ( 0.5878352 0.1847582 0.6701072), wk = 0.0033223 k( 59) = ( 0.5702681 0.1792368 0.6832257), wk = 0.0033223 k( 60) = ( 0.5527011 0.1737154 0.6963441), wk = 0.0033223 k( 61) = ( 0.5351341 0.1681941 0.7094625), wk = 0.0033223 k( 62) = ( 0.5175670 0.1626727 0.7225809), wk = 0.0033223 k( 63) = ( 0.5000000 0.1571513 0.7356993), wk = 0.0033223 k( 64) = ( 0.5000000 0.1571513 0.7356993), wk = 0.0033223 k( 65) = ( 0.5075055 0.1332714 0.7356993), wk = 0.0033223 k( 66) = ( 0.5150110 0.1093915 0.7356993), wk = 0.0033223 k( 67) = ( 0.5225166 0.0855116 0.7356993), wk = 0.0033223 k( 68) = ( 0.5300221 0.0616317 0.7356993), wk = 0.0033223 k( 69) = ( 0.5375276 0.0377518 0.7356993), wk = 0.0033223 k( 70) = ( 0.5450331 0.0138719 0.7356993), wk = 0.0033223 k( 71) = ( 0.5525387 -0.0100081 0.7356993), wk = 0.0033223 k( 72) = ( 0.5600442 -0.0338880 0.7356993), wk = 0.0033223 k( 73) = ( 0.5675497 -0.0577679 0.7356993), wk = 0.0033223 k( 74) = ( 0.5750552 -0.0816478 0.7356993), wk = 0.0033223 k( 75) = ( 0.5825607 -0.1055277 0.7356993), wk = 0.0033223 k( 76) = ( 0.5900663 -0.1294076 0.7356993), wk = 0.0033223 k( 77) = ( 0.5975718 -0.1532876 0.7356993), wk = 0.0033223 k( 78) = ( 0.6050773 -0.1771675 0.7356993), wk = 0.0033223 k( 79) = ( 0.6125828 -0.2010474 0.7356993), wk = 0.0033223 k( 80) = ( 0.6200883 -0.2249273 0.7356993), wk = 0.0033223 k( 81) = ( 0.6275939 -0.2488072 0.7356993), wk = 0.0033223 k( 82) = ( 0.6350994 -0.2726872 0.7356993), wk = 0.0033223 k( 83) = ( 0.6426049 -0.2965671 0.7356993), wk = 0.0033223 k( 84) = ( 0.6501104 -0.3204470 0.7356993), wk = 0.0033223 k( 85) = ( 0.6576160 -0.3443269 0.7356993), wk = 0.0033223 k( 86) = ( 0.6651215 -0.3682068 0.7356993), wk = 0.0033223 k( 87) = ( 0.6726270 -0.3920867 0.7356993), wk = 0.0033223 k( 88) = ( 0.6801325 -0.4159666 0.7356993), wk = 0.0033223 k( 89) = ( 0.6876381 -0.4398466 0.7356993), wk = 0.0033223 k( 90) = ( 0.6951436 -0.4637265 0.7356993), wk = 0.0033223 k( 91) = ( 0.7026491 -0.4876064 0.7356993), wk = 0.0033223 k( 92) = ( 0.7101546 -0.5114863 0.7356993), wk = 0.0033223 k( 93) = ( 0.7176601 -0.5353662 0.7356993), wk = 0.0033223 k( 94) = ( 0.7251657 -0.5592461 0.7356993), wk = 0.0033223 k( 95) = ( 0.7326712 -0.5831260 0.7356993), wk = 0.0033223 k( 96) = ( 0.7401767 -0.6070060 0.7356993), wk = 0.0033223 k( 97) = ( 0.2598233 -0.8266658 0.8406466), wk = 0.0033223 k( 98) = ( 0.2523998 -0.8030468 0.8406466), wk = 0.0033223 k( 99) = ( 0.2449763 -0.7794278 0.8406466), wk = 0.0033223 k( 100) = ( 0.2375527 -0.7558088 0.8406466), wk = 0.0033223 k( 101) = ( 0.2301292 -0.7321897 0.8406466), wk = 0.0033223 k( 102) = ( 0.2227057 -0.7085707 0.8406466), wk = 0.0033223 k( 103) = ( 0.2152822 -0.6849517 0.8406466), wk = 0.0033223 k( 104) = ( 0.2078586 -0.6613327 0.8406466), wk = 0.0033223 k( 105) = ( 0.2004351 -0.6377136 0.8406466), wk = 0.0033223 k( 106) = ( 0.1930116 -0.6140946 0.8406466), wk = 0.0033223 k( 107) = ( 0.1855881 -0.5904756 0.8406466), wk = 0.0033223 k( 108) = ( 0.1781645 -0.5668565 0.8406466), wk = 0.0033223 k( 109) = ( 0.1707410 -0.5432375 0.8406466), wk = 0.0033223 k( 110) = ( 0.1633175 -0.5196185 0.8406466), wk = 0.0033223 k( 111) = ( 0.1558940 -0.4959995 0.8406466), wk = 0.0033223 k( 112) = ( 0.1484705 -0.4723805 0.8406466), wk = 0.0033223 k( 113) = ( 0.1410469 -0.4487614 0.8406466), wk = 0.0033223 k( 114) = ( 0.1336234 -0.4251424 0.8406466), wk = 0.0033223 k( 115) = ( 0.1261999 -0.4015234 0.8406466), wk = 0.0033223 k( 116) = ( 0.1187764 -0.3779044 0.8406466), wk = 0.0033223 k( 117) = ( 0.1113528 -0.3542854 0.8406466), wk = 0.0033223 k( 118) = ( 0.1039293 -0.3306663 0.8406466), wk = 0.0033223 k( 119) = ( 0.0965058 -0.3070473 0.8406466), wk = 0.0033223 k( 120) = ( 0.0890823 -0.2834283 0.8406466), wk = 0.0033223 k( 121) = ( 0.0816588 -0.2598093 0.8406466), wk = 0.0033223 k( 122) = ( 0.0742352 -0.2361902 0.8406466), wk = 0.0033223 k( 123) = ( 0.0668117 -0.2125712 0.8406466), wk = 0.0033223 k( 124) = ( 0.0593882 -0.1889522 0.8406466), wk = 0.0033223 k( 125) = ( 0.0519647 -0.1653332 0.8406466), wk = 0.0033223 k( 126) = ( 0.0445411 -0.1417142 0.8406466), wk = 0.0033223 k( 127) = ( 0.0371176 -0.1180951 0.8406466), wk = 0.0033223 k( 128) = ( 0.0296941 -0.0944761 0.8406466), wk = 0.0033223 k( 129) = ( 0.0222706 -0.0708571 0.8406466), wk = 0.0033223 k( 130) = ( 0.0148471 -0.0472381 0.8406466), wk = 0.0033223 k( 131) = ( 0.0074235 -0.0236190 0.8406466), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.8406466), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.8406466), wk = 0.0033223 k( 134) = ( 0.0239642 0.0075320 0.8406466), wk = 0.0033223 k( 135) = ( 0.0479285 0.0150641 0.8406466), wk = 0.0033223 k( 136) = ( 0.0718927 0.0225961 0.8406466), wk = 0.0033223 k( 137) = ( 0.0958570 0.0301281 0.8406466), wk = 0.0033223 k( 138) = ( 0.1198212 0.0376601 0.8406466), wk = 0.0033223 k( 139) = ( 0.1437855 0.0451922 0.8406466), wk = 0.0033223 k( 140) = ( 0.1677497 0.0527242 0.8406466), wk = 0.0033223 k( 141) = ( 0.1917140 0.0602562 0.8406466), wk = 0.0033223 k( 142) = ( 0.2156782 0.0677882 0.8406466), wk = 0.0033223 k( 143) = ( 0.2396425 0.0753203 0.8406466), wk = 0.0033223 k( 144) = ( 0.2636067 0.0828523 0.8406466), wk = 0.0033223 k( 145) = ( 0.2875709 0.0903843 0.8406466), wk = 0.0033223 k( 146) = ( 0.3115352 0.0979164 0.8406466), wk = 0.0033223 k( 147) = ( 0.3354994 0.1054484 0.8406466), wk = 0.0033223 k( 148) = ( 0.3594637 0.1129804 0.8406466), wk = 0.0033223 k( 149) = ( 0.5000000 0.1571513 -0.1049473), wk = 0.0033223 k( 150) = ( 0.5074771 0.1333618 -0.1049473), wk = 0.0033223 k( 151) = ( 0.5149542 0.1095723 -0.1049473), wk = 0.0033223 k( 152) = ( 0.5224313 0.0857828 -0.1049473), wk = 0.0033223 k( 153) = ( 0.5299084 0.0619933 -0.1049473), wk = 0.0033223 k( 154) = ( 0.5373855 0.0382038 -0.1049473), wk = 0.0033223 k( 155) = ( 0.5448627 0.0144143 -0.1049473), wk = 0.0033223 k( 156) = ( 0.5523398 -0.0093753 -0.1049473), wk = 0.0033223 k( 157) = ( 0.5598169 -0.0331648 -0.1049473), wk = 0.0033223 k( 158) = ( 0.5672940 -0.0569543 -0.1049473), wk = 0.0033223 k( 159) = ( 0.5747711 -0.0807438 -0.1049473), wk = 0.0033223 k( 160) = ( 0.5822482 -0.1045333 -0.1049473), wk = 0.0033223 k( 161) = ( 0.5897253 -0.1283228 -0.1049473), wk = 0.0033223 k( 162) = ( 0.5972024 -0.1521123 -0.1049473), wk = 0.0033223 k( 163) = ( 0.6046795 -0.1759019 -0.1049473), wk = 0.0033223 k( 164) = ( 0.6121566 -0.1996913 -0.1049473), wk = 0.0033223 k( 165) = ( 0.6196337 -0.2234809 -0.1049473), wk = 0.0033223 k( 166) = ( 0.6271108 -0.2472704 -0.1049473), wk = 0.0033223 k( 167) = ( 0.6345880 -0.2710599 -0.1049473), wk = 0.0033223 k( 168) = ( 0.6420651 -0.2948494 -0.1049473), wk = 0.0033223 k( 169) = ( 0.6495422 -0.3186389 -0.1049473), wk = 0.0033223 k( 170) = ( 0.6570193 -0.3424284 -0.1049473), wk = 0.0033223 k( 171) = ( 0.6644964 -0.3662179 -0.1049473), wk = 0.0033223 k( 172) = ( 0.6719735 -0.3900075 -0.1049473), wk = 0.0033223 k( 173) = ( 0.6794506 -0.4137970 -0.1049473), wk = 0.0033223 k( 174) = ( 0.6869277 -0.4375865 -0.1049473), wk = 0.0033223 k( 175) = ( 0.6944048 -0.4613760 -0.1049473), wk = 0.0033223 k( 176) = ( 0.7018819 -0.4851655 -0.1049473), wk = 0.0033223 k( 177) = ( 0.7093590 -0.5089550 -0.1049473), wk = 0.0033223 k( 178) = ( 0.7168361 -0.5327446 -0.1049473), wk = 0.0033223 k( 179) = ( 0.7243133 -0.5565341 -0.1049473), wk = 0.0033223 k( 180) = ( 0.2756867 -0.8771377 0.0000000), wk = 0.0033223 k( 181) = ( 0.2682358 -0.8534313 0.0000000), wk = 0.0033223 k( 182) = ( 0.2607848 -0.8297249 0.0000000), wk = 0.0033223 k( 183) = ( 0.2533338 -0.8060184 0.0000000), wk = 0.0033223 k( 184) = ( 0.2458828 -0.7823120 0.0000000), wk = 0.0033223 k( 185) = ( 0.2384318 -0.7586056 0.0000000), wk = 0.0033223 k( 186) = ( 0.2309808 -0.7348992 0.0000000), wk = 0.0033223 k( 187) = ( 0.2235298 -0.7111928 0.0000000), wk = 0.0033223 k( 188) = ( 0.2160788 -0.6874863 0.0000000), wk = 0.0033223 k( 189) = ( 0.2086278 -0.6637799 0.0000000), wk = 0.0033223 k( 190) = ( 0.2011768 -0.6400735 0.0000000), wk = 0.0033223 k( 191) = ( 0.1937258 -0.6163671 0.0000000), wk = 0.0033223 k( 192) = ( 0.1862748 -0.5926606 0.0000000), wk = 0.0033223 k( 193) = ( 0.1788238 -0.5689542 0.0000000), wk = 0.0033223 k( 194) = ( 0.1713728 -0.5452478 0.0000000), wk = 0.0033223 k( 195) = ( 0.1639219 -0.5215413 0.0000000), wk = 0.0033223 k( 196) = ( 0.1564709 -0.4978349 0.0000000), wk = 0.0033223 k( 197) = ( 0.1490199 -0.4741285 0.0000000), wk = 0.0033223 k( 198) = ( 0.1415689 -0.4504221 0.0000000), wk = 0.0033223 k( 199) = ( 0.1341179 -0.4267157 0.0000000), wk = 0.0033223 k( 200) = ( 0.1266669 -0.4030092 0.0000000), wk = 0.0033223 k( 201) = ( 0.1192159 -0.3793028 0.0000000), wk = 0.0033223 k( 202) = ( 0.1117649 -0.3555964 0.0000000), wk = 0.0033223 k( 203) = ( 0.1043139 -0.3318900 0.0000000), wk = 0.0033223 k( 204) = ( 0.0968629 -0.3081835 0.0000000), wk = 0.0033223 k( 205) = ( 0.0894119 -0.2844771 0.0000000), wk = 0.0033223 k( 206) = ( 0.0819609 -0.2607707 0.0000000), wk = 0.0033223 k( 207) = ( 0.0745099 -0.2370642 0.0000000), wk = 0.0033223 k( 208) = ( 0.0670589 -0.2133578 0.0000000), wk = 0.0033223 k( 209) = ( 0.0596079 -0.1896514 0.0000000), wk = 0.0033223 k( 210) = ( 0.0521570 -0.1659450 0.0000000), wk = 0.0033223 k( 211) = ( 0.0447060 -0.1422386 0.0000000), wk = 0.0033223 k( 212) = ( 0.0372550 -0.1185321 0.0000000), wk = 0.0033223 k( 213) = ( 0.0298040 -0.0948257 0.0000000), wk = 0.0033223 k( 214) = ( 0.0223530 -0.0711193 0.0000000), wk = 0.0033223 k( 215) = ( 0.0149020 -0.0474129 0.0000000), wk = 0.0033223 k( 216) = ( 0.0074510 -0.0237064 0.0000000), wk = 0.0033223 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 219) = ( 0.0142857 -0.0204810 -0.0014992), wk = 0.0033223 k( 220) = ( 0.0285714 -0.0409621 -0.0029985), wk = 0.0033223 k( 221) = ( 0.0428571 -0.0614431 -0.0044977), wk = 0.0033223 k( 222) = ( 0.0571429 -0.0819241 -0.0059970), wk = 0.0033223 k( 223) = ( 0.0714286 -0.1024051 -0.0074962), wk = 0.0033223 k( 224) = ( 0.0857143 -0.1228862 -0.0089955), wk = 0.0033223 k( 225) = ( 0.1000000 -0.1433672 -0.0104947), wk = 0.0033223 k( 226) = ( 0.1142857 -0.1638482 -0.0119940), wk = 0.0033223 k( 227) = ( 0.1285714 -0.1843292 -0.0134932), wk = 0.0033223 k( 228) = ( 0.1428571 -0.2048103 -0.0149925), wk = 0.0033223 k( 229) = ( 0.1571429 -0.2252913 -0.0164917), wk = 0.0033223 k( 230) = ( 0.1714286 -0.2457723 -0.0179910), wk = 0.0033223 k( 231) = ( 0.1857143 -0.2662533 -0.0194902), wk = 0.0033223 k( 232) = ( 0.2000000 -0.2867344 -0.0209895), wk = 0.0033223 k( 233) = ( 0.2142857 -0.3072154 -0.0224887), wk = 0.0033223 k( 234) = ( 0.2285714 -0.3276964 -0.0239880), wk = 0.0033223 k( 235) = ( 0.2428571 -0.3481774 -0.0254872), wk = 0.0033223 k( 236) = ( 0.2571429 -0.3686585 -0.0269865), wk = 0.0033223 k( 237) = ( 0.2714286 -0.3891395 -0.0284857), wk = 0.0033223 k( 238) = ( 0.2857143 -0.4096205 -0.0299850), wk = 0.0033223 k( 239) = ( 0.3000000 -0.4301015 -0.0314842), wk = 0.0033223 k( 240) = ( 0.3142857 -0.4505826 -0.0329834), wk = 0.0033223 k( 241) = ( 0.3285714 -0.4710636 -0.0344827), wk = 0.0033223 k( 242) = ( 0.3428571 -0.4915446 -0.0359819), wk = 0.0033223 k( 243) = ( 0.3571429 -0.5120256 -0.0374812), wk = 0.0033223 k( 244) = ( 0.3714286 -0.5325067 -0.0389804), wk = 0.0033223 k( 245) = ( 0.3857143 -0.5529877 -0.0404797), wk = 0.0033223 k( 246) = ( 0.4000000 -0.5734687 -0.0419789), wk = 0.0033223 k( 247) = ( 0.4142857 -0.5939497 -0.0434782), wk = 0.0033223 k( 248) = ( 0.4285714 -0.6144308 -0.0449774), wk = 0.0033223 k( 249) = ( 0.4428571 -0.6349118 -0.0464767), wk = 0.0033223 k( 250) = ( 0.4571429 -0.6553928 -0.0479759), wk = 0.0033223 k( 251) = ( 0.4714286 -0.6758738 -0.0494752), wk = 0.0033223 k( 252) = ( 0.4857143 -0.6963549 -0.0509744), wk = 0.0033223 k( 253) = ( 0.5000000 -0.7168359 -0.0524737), wk = 0.0033223 k( 254) = ( 0.5000000 -0.7168359 0.7881730), wk = 0.0033223 k( 255) = ( 0.4893617 -0.7015841 0.7714033), wk = 0.0033223 k( 256) = ( 0.4787234 -0.6863322 0.7546337), wk = 0.0033223 k( 257) = ( 0.4680851 -0.6710804 0.7378641), wk = 0.0033223 k( 258) = ( 0.4574468 -0.6558286 0.7210944), wk = 0.0033223 k( 259) = ( 0.4468085 -0.6405768 0.7043248), wk = 0.0033223 k( 260) = ( 0.4361702 -0.6253249 0.6875552), wk = 0.0033223 k( 261) = ( 0.4255319 -0.6100731 0.6707855), wk = 0.0033223 k( 262) = ( 0.4148936 -0.5948213 0.6540159), wk = 0.0033223 k( 263) = ( 0.4042553 -0.5795695 0.6372462), wk = 0.0033223 k( 264) = ( 0.3936170 -0.5643176 0.6204766), wk = 0.0033223 k( 265) = ( 0.3829787 -0.5490658 0.6037070), wk = 0.0033223 k( 266) = ( 0.3723404 -0.5338140 0.5869373), wk = 0.0033223 k( 267) = ( 0.3617021 -0.5185621 0.5701677), wk = 0.0033223 k( 268) = ( 0.3510638 -0.5033103 0.5533981), wk = 0.0033223 k( 269) = ( 0.3404255 -0.4880585 0.5366284), wk = 0.0033223 k( 270) = ( 0.3297872 -0.4728067 0.5198588), wk = 0.0033223 k( 271) = ( 0.3191489 -0.4575548 0.5030891), wk = 0.0033223 k( 272) = ( 0.3085106 -0.4423030 0.4863195), wk = 0.0033223 k( 273) = ( 0.2978723 -0.4270512 0.4695499), wk = 0.0033223 k( 274) = ( 0.2872340 -0.4117993 0.4527802), wk = 0.0033223 k( 275) = ( 0.2765957 -0.3965475 0.4360106), wk = 0.0033223 k( 276) = ( 0.2659574 -0.3812957 0.4192410), wk = 0.0033223 k( 277) = ( 0.2553191 -0.3660439 0.4024713), wk = 0.0033223 k( 278) = ( 0.2446809 -0.3507920 0.3857017), wk = 0.0033223 k( 279) = ( 0.2340425 -0.3355402 0.3689320), wk = 0.0033223 k( 280) = ( 0.2234043 -0.3202884 0.3521624), wk = 0.0033223 k( 281) = ( 0.2127660 -0.3050366 0.3353928), wk = 0.0033223 k( 282) = ( 0.2021277 -0.2897847 0.3186231), wk = 0.0033223 k( 283) = ( 0.1914894 -0.2745329 0.3018535), wk = 0.0033223 k( 284) = ( 0.1808511 -0.2592811 0.2850838), wk = 0.0033223 k( 285) = ( 0.1702128 -0.2440292 0.2683142), wk = 0.0033223 k( 286) = ( 0.1595745 -0.2287774 0.2515446), wk = 0.0033223 k( 287) = ( 0.1489362 -0.2135256 0.2347749), wk = 0.0033223 k( 288) = ( 0.1382979 -0.1982738 0.2180053), wk = 0.0033223 k( 289) = ( 0.1276596 -0.1830219 0.2012356), wk = 0.0033223 k( 290) = ( 0.1170213 -0.1677701 0.1844660), wk = 0.0033223 k( 291) = ( 0.1063830 -0.1525183 0.1676964), wk = 0.0033223 k( 292) = ( 0.0957447 -0.1372664 0.1509267), wk = 0.0033223 k( 293) = ( 0.0851064 -0.1220146 0.1341571), wk = 0.0033223 k( 294) = ( 0.0744681 -0.1067628 0.1173875), wk = 0.0033223 k( 295) = ( 0.0638298 -0.0915110 0.1006178), wk = 0.0033223 k( 296) = ( 0.0531915 -0.0762591 0.0838482), wk = 0.0033223 k( 297) = ( 0.0425532 -0.0610073 0.0670785), wk = 0.0033223 k( 298) = ( 0.0319149 -0.0457555 0.0503089), wk = 0.0033223 k( 299) = ( 0.0212766 -0.0305037 0.0335393), wk = 0.0033223 k( 300) = ( 0.0106383 -0.0152518 0.0167696), wk = 0.0033223 k( 301) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0033223 k( 6) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0033223 k( 7) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0033223 k( 8) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0033223 k( 9) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0033223 k( 10) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0033223 k( 11) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0033223 k( 12) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 13) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0033223 k( 14) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0033223 k( 15) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0033223 k( 16) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0033223 k( 17) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0033223 k( 18) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0033223 k( 19) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0033223 k( 20) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0033223 k( 21) = ( 0.4545455 0.4545454 0.0000000), wk = 0.0033223 k( 22) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0033223 k( 23) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 24) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.5046845 0.5046845 0.0151708), wk = 0.0033223 k( 26) = ( 0.5093691 0.5093691 0.0303416), wk = 0.0033223 k( 27) = ( 0.5140536 0.5140536 0.0455124), wk = 0.0033223 k( 28) = ( 0.5187382 0.5187382 0.0606832), wk = 0.0033223 k( 29) = ( 0.5234227 0.5234227 0.0758540), wk = 0.0033223 k( 30) = ( 0.5281073 0.5281073 0.0910248), wk = 0.0033223 k( 31) = ( 0.5327918 0.5327918 0.1061956), wk = 0.0033223 k( 32) = ( 0.5374764 0.5374764 0.1213664), wk = 0.0033223 k( 33) = ( 0.5421609 0.5421609 0.1365372), wk = 0.0033223 k( 34) = ( 0.5468454 0.5468454 0.1517080), wk = 0.0033223 k( 35) = ( 0.5515300 0.5515300 0.1668788), wk = 0.0033223 k( 36) = ( 0.5562145 0.5562145 0.1820496), wk = 0.0033223 k( 37) = ( 0.5608991 0.5608991 0.1972204), wk = 0.0033223 k( 38) = ( 0.5655836 0.5655836 0.2123913), wk = 0.0033223 k( 39) = ( 0.5702681 0.5702681 0.2275621), wk = 0.0033223 k( 40) = ( 0.5749527 0.5749527 0.2427329), wk = 0.0033223 k( 41) = ( 0.5796372 0.5796372 0.2579037), wk = 0.0033223 k( 42) = ( 0.5843218 0.5843218 0.2730745), wk = 0.0033223 k( 43) = ( 0.5890063 0.5890063 0.2882453), wk = 0.0033223 k( 44) = ( 0.5936909 0.5936909 0.3034161), wk = 0.0033223 k( 45) = ( 0.5983754 0.5983754 0.3185869), wk = 0.0033223 k( 46) = ( 0.6030600 0.6030600 0.3337577), wk = 0.0033223 k( 47) = ( 0.6077445 0.6077445 0.3489285), wk = 0.0033223 k( 48) = ( 0.6124291 0.6124290 0.3640993), wk = 0.0033223 k( 49) = ( 0.6171136 0.6171136 0.3792701), wk = 0.0033223 k( 50) = ( 0.6217981 0.6217981 0.3944409), wk = 0.0033223 k( 51) = ( 0.6264827 0.6264827 0.4096117), wk = 0.0033223 k( 52) = ( 0.6311672 0.6311672 0.4247825), wk = 0.0033223 k( 53) = ( 0.6358518 0.6358518 0.4399533), wk = 0.0033223 k( 54) = ( 0.6405363 0.6405363 0.4551241), wk = 0.0033223 k( 55) = ( 0.6405363 0.6405363 0.4551241), wk = 0.0033223 k( 56) = ( 0.6229693 0.6229693 0.4607336), wk = 0.0033223 k( 57) = ( 0.6054022 0.6054022 0.4663431), wk = 0.0033223 k( 58) = ( 0.5878352 0.5878352 0.4719526), wk = 0.0033223 k( 59) = ( 0.5702681 0.5702681 0.4775621), wk = 0.0033223 k( 60) = ( 0.5527011 0.5527011 0.4831715), wk = 0.0033223 k( 61) = ( 0.5351341 0.5351341 0.4887810), wk = 0.0033223 k( 62) = ( 0.5175670 0.5175670 0.4943905), wk = 0.0033223 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 64) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 65) = ( 0.5075055 0.4924945 0.5000000), wk = 0.0033223 k( 66) = ( 0.5150110 0.4849890 0.5000000), wk = 0.0033223 k( 67) = ( 0.5225166 0.4774834 0.5000000), wk = 0.0033223 k( 68) = ( 0.5300221 0.4699779 0.5000000), wk = 0.0033223 k( 69) = ( 0.5375276 0.4624724 0.5000000), wk = 0.0033223 k( 70) = ( 0.5450331 0.4549669 0.5000000), wk = 0.0033223 k( 71) = ( 0.5525387 0.4474613 0.5000000), wk = 0.0033223 k( 72) = ( 0.5600442 0.4399558 0.5000000), wk = 0.0033223 k( 73) = ( 0.5675497 0.4324503 0.5000000), wk = 0.0033223 k( 74) = ( 0.5750552 0.4249448 0.5000000), wk = 0.0033223 k( 75) = ( 0.5825607 0.4174393 0.5000000), wk = 0.0033223 k( 76) = ( 0.5900663 0.4099337 0.5000000), wk = 0.0033223 k( 77) = ( 0.5975718 0.4024282 0.5000000), wk = 0.0033223 k( 78) = ( 0.6050773 0.3949227 0.5000000), wk = 0.0033223 k( 79) = ( 0.6125828 0.3874172 0.5000000), wk = 0.0033223 k( 80) = ( 0.6200883 0.3799116 0.5000000), wk = 0.0033223 k( 81) = ( 0.6275939 0.3724061 0.5000000), wk = 0.0033223 k( 82) = ( 0.6350994 0.3649006 0.5000000), wk = 0.0033223 k( 83) = ( 0.6426049 0.3573951 0.5000000), wk = 0.0033223 k( 84) = ( 0.6501104 0.3498896 0.5000000), wk = 0.0033223 k( 85) = ( 0.6576160 0.3423840 0.5000000), wk = 0.0033223 k( 86) = ( 0.6651215 0.3348785 0.5000000), wk = 0.0033223 k( 87) = ( 0.6726270 0.3273730 0.5000000), wk = 0.0033223 k( 88) = ( 0.6801325 0.3198675 0.5000000), wk = 0.0033223 k( 89) = ( 0.6876381 0.3123619 0.5000000), wk = 0.0033223 k( 90) = ( 0.6951436 0.3048564 0.5000000), wk = 0.0033223 k( 91) = ( 0.7026491 0.2973509 0.5000000), wk = 0.0033223 k( 92) = ( 0.7101546 0.2898454 0.5000000), wk = 0.0033223 k( 93) = ( 0.7176601 0.2823399 0.5000000), wk = 0.0033223 k( 94) = ( 0.7251657 0.2748343 0.5000000), wk = 0.0033223 k( 95) = ( 0.7326712 0.2673288 0.5000000), wk = 0.0033223 k( 96) = ( 0.7401767 0.2598233 0.5000000), wk = 0.0033223 k( 97) = ( 0.2598233 -0.2598233 0.5000000), wk = 0.0033223 k( 98) = ( 0.2523998 -0.2523998 0.5000000), wk = 0.0033223 k( 99) = ( 0.2449763 -0.2449763 0.5000000), wk = 0.0033223 k( 100) = ( 0.2375527 -0.2375527 0.5000000), wk = 0.0033223 k( 101) = ( 0.2301292 -0.2301292 0.5000000), wk = 0.0033223 k( 102) = ( 0.2227057 -0.2227057 0.5000000), wk = 0.0033223 k( 103) = ( 0.2152822 -0.2152822 0.5000000), wk = 0.0033223 k( 104) = ( 0.2078586 -0.2078586 0.5000000), wk = 0.0033223 k( 105) = ( 0.2004351 -0.2004351 0.5000000), wk = 0.0033223 k( 106) = ( 0.1930116 -0.1930116 0.5000000), wk = 0.0033223 k( 107) = ( 0.1855881 -0.1855881 0.5000000), wk = 0.0033223 k( 108) = ( 0.1781645 -0.1781645 0.5000000), wk = 0.0033223 k( 109) = ( 0.1707410 -0.1707410 0.5000000), wk = 0.0033223 k( 110) = ( 0.1633175 -0.1633175 0.5000000), wk = 0.0033223 k( 111) = ( 0.1558940 -0.1558940 0.5000000), wk = 0.0033223 k( 112) = ( 0.1484705 -0.1484704 0.5000000), wk = 0.0033223 k( 113) = ( 0.1410469 -0.1410469 0.5000000), wk = 0.0033223 k( 114) = ( 0.1336234 -0.1336234 0.5000000), wk = 0.0033223 k( 115) = ( 0.1261999 -0.1261999 0.5000000), wk = 0.0033223 k( 116) = ( 0.1187764 -0.1187764 0.5000000), wk = 0.0033223 k( 117) = ( 0.1113528 -0.1113528 0.5000000), wk = 0.0033223 k( 118) = ( 0.1039293 -0.1039293 0.5000000), wk = 0.0033223 k( 119) = ( 0.0965058 -0.0965058 0.5000000), wk = 0.0033223 k( 120) = ( 0.0890823 -0.0890823 0.5000000), wk = 0.0033223 k( 121) = ( 0.0816588 -0.0816587 0.5000000), wk = 0.0033223 k( 122) = ( 0.0742352 -0.0742352 0.5000000), wk = 0.0033223 k( 123) = ( 0.0668117 -0.0668117 0.5000000), wk = 0.0033223 k( 124) = ( 0.0593882 -0.0593882 0.5000000), wk = 0.0033223 k( 125) = ( 0.0519647 -0.0519647 0.5000000), wk = 0.0033223 k( 126) = ( 0.0445411 -0.0445411 0.5000000), wk = 0.0033223 k( 127) = ( 0.0371176 -0.0371176 0.5000000), wk = 0.0033223 k( 128) = ( 0.0296941 -0.0296941 0.5000000), wk = 0.0033223 k( 129) = ( 0.0222706 -0.0222706 0.5000000), wk = 0.0033223 k( 130) = ( 0.0148471 -0.0148470 0.5000000), wk = 0.0033223 k( 131) = ( 0.0074235 -0.0074235 0.5000000), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 134) = ( 0.0239642 0.0239642 0.5029917), wk = 0.0033223 k( 135) = ( 0.0479285 0.0479285 0.5059835), wk = 0.0033223 k( 136) = ( 0.0718927 0.0718927 0.5089752), wk = 0.0033223 k( 137) = ( 0.0958570 0.0958570 0.5119669), wk = 0.0033223 k( 138) = ( 0.1198212 0.1198212 0.5149586), wk = 0.0033223 k( 139) = ( 0.1437855 0.1437855 0.5179504), wk = 0.0033223 k( 140) = ( 0.1677497 0.1677497 0.5209421), wk = 0.0033223 k( 141) = ( 0.1917140 0.1917140 0.5239338), wk = 0.0033223 k( 142) = ( 0.2156782 0.2156782 0.5269255), wk = 0.0033223 k( 143) = ( 0.2396425 0.2396425 0.5299172), wk = 0.0033223 k( 144) = ( 0.2636067 0.2636067 0.5329090), wk = 0.0033223 k( 145) = ( 0.2875709 0.2875709 0.5359007), wk = 0.0033223 k( 146) = ( 0.3115352 0.3115352 0.5388924), wk = 0.0033223 k( 147) = ( 0.3354994 0.3354994 0.5418841), wk = 0.0033223 k( 148) = ( 0.3594637 0.3594637 0.5448759), wk = 0.0033223 k( 149) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 150) = ( 0.5074771 0.4925229 -0.0000000), wk = 0.0033223 k( 151) = ( 0.5149542 0.4850458 0.0000000), wk = 0.0033223 k( 152) = ( 0.5224313 0.4775687 0.0000000), wk = 0.0033223 k( 153) = ( 0.5299084 0.4700916 -0.0000000), wk = 0.0033223 k( 154) = ( 0.5373855 0.4626145 0.0000000), wk = 0.0033223 k( 155) = ( 0.5448627 0.4551373 0.0000000), wk = 0.0033223 k( 156) = ( 0.5523398 0.4476602 0.0000000), wk = 0.0033223 k( 157) = ( 0.5598169 0.4401831 -0.0000000), wk = 0.0033223 k( 158) = ( 0.5672940 0.4327060 -0.0000000), wk = 0.0033223 k( 159) = ( 0.5747711 0.4252289 0.0000000), wk = 0.0033223 k( 160) = ( 0.5822482 0.4177518 -0.0000000), wk = 0.0033223 k( 161) = ( 0.5897253 0.4102747 -0.0000000), wk = 0.0033223 k( 162) = ( 0.5972024 0.4027976 -0.0000000), wk = 0.0033223 k( 163) = ( 0.6046795 0.3953205 0.0000000), wk = 0.0033223 k( 164) = ( 0.6121566 0.3878434 -0.0000000), wk = 0.0033223 k( 165) = ( 0.6196337 0.3803663 -0.0000000), wk = 0.0033223 k( 166) = ( 0.6271108 0.3728892 -0.0000000), wk = 0.0033223 k( 167) = ( 0.6345880 0.3654120 0.0000000), wk = 0.0033223 k( 168) = ( 0.6420651 0.3579349 -0.0000000), wk = 0.0033223 k( 169) = ( 0.6495422 0.3504578 -0.0000000), wk = 0.0033223 k( 170) = ( 0.6570193 0.3429807 -0.0000000), wk = 0.0033223 k( 171) = ( 0.6644964 0.3355036 -0.0000000), wk = 0.0033223 k( 172) = ( 0.6719735 0.3280265 -0.0000000), wk = 0.0033223 k( 173) = ( 0.6794506 0.3205494 0.0000000), wk = 0.0033223 k( 174) = ( 0.6869277 0.3130723 -0.0000000), wk = 0.0033223 k( 175) = ( 0.6944048 0.3055952 -0.0000000), wk = 0.0033223 k( 176) = ( 0.7018819 0.2981181 -0.0000000), wk = 0.0033223 k( 177) = ( 0.7093590 0.2906410 -0.0000000), wk = 0.0033223 k( 178) = ( 0.7168361 0.2831639 -0.0000000), wk = 0.0033223 k( 179) = ( 0.7243133 0.2756867 0.0000000), wk = 0.0033223 k( 180) = ( 0.2756867 -0.2756867 0.0000000), wk = 0.0033223 k( 181) = ( 0.2682358 -0.2682358 -0.0000000), wk = 0.0033223 k( 182) = ( 0.2607848 -0.2607848 -0.0000000), wk = 0.0033223 k( 183) = ( 0.2533338 -0.2533338 -0.0000000), wk = 0.0033223 k( 184) = ( 0.2458828 -0.2458828 -0.0000000), wk = 0.0033223 k( 185) = ( 0.2384318 -0.2384318 -0.0000000), wk = 0.0033223 k( 186) = ( 0.2309808 -0.2309808 -0.0000000), wk = 0.0033223 k( 187) = ( 0.2235298 -0.2235298 0.0000000), wk = 0.0033223 k( 188) = ( 0.2160788 -0.2160788 -0.0000000), wk = 0.0033223 k( 189) = ( 0.2086278 -0.2086278 -0.0000000), wk = 0.0033223 k( 190) = ( 0.2011768 -0.2011768 0.0000000), wk = 0.0033223 k( 191) = ( 0.1937258 -0.1937258 -0.0000000), wk = 0.0033223 k( 192) = ( 0.1862748 -0.1862748 -0.0000000), wk = 0.0033223 k( 193) = ( 0.1788238 -0.1788238 0.0000000), wk = 0.0033223 k( 194) = ( 0.1713728 -0.1713728 -0.0000000), wk = 0.0033223 k( 195) = ( 0.1639219 -0.1639219 -0.0000000), wk = 0.0033223 k( 196) = ( 0.1564709 -0.1564709 0.0000000), wk = 0.0033223 k( 197) = ( 0.1490199 -0.1490199 -0.0000000), wk = 0.0033223 k( 198) = ( 0.1415689 -0.1415689 -0.0000000), wk = 0.0033223 k( 199) = ( 0.1341179 -0.1341179 -0.0000000), wk = 0.0033223 k( 200) = ( 0.1266669 -0.1266669 -0.0000000), wk = 0.0033223 k( 201) = ( 0.1192159 -0.1192159 0.0000000), wk = 0.0033223 k( 202) = ( 0.1117649 -0.1117649 0.0000000), wk = 0.0033223 k( 203) = ( 0.1043139 -0.1043139 0.0000000), wk = 0.0033223 k( 204) = ( 0.0968629 -0.0968629 0.0000000), wk = 0.0033223 k( 205) = ( 0.0894119 -0.0894119 0.0000000), wk = 0.0033223 k( 206) = ( 0.0819609 -0.0819609 -0.0000000), wk = 0.0033223 k( 207) = ( 0.0745099 -0.0745099 -0.0000000), wk = 0.0033223 k( 208) = ( 0.0670589 -0.0670589 -0.0000000), wk = 0.0033223 k( 209) = ( 0.0596079 -0.0596079 0.0000000), wk = 0.0033223 k( 210) = ( 0.0521570 -0.0521570 -0.0000000), wk = 0.0033223 k( 211) = ( 0.0447060 -0.0447060 0.0000000), wk = 0.0033223 k( 212) = ( 0.0372550 -0.0372550 0.0000000), wk = 0.0033223 k( 213) = ( 0.0298040 -0.0298040 -0.0000000), wk = 0.0033223 k( 214) = ( 0.0223530 -0.0223530 0.0000000), wk = 0.0033223 k( 215) = ( 0.0149020 -0.0149020 -0.0000000), wk = 0.0033223 k( 216) = ( 0.0074510 -0.0074510 -0.0000000), wk = 0.0033223 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 219) = ( 0.0142857 0.0000000 -0.0000000), wk = 0.0033223 k( 220) = ( 0.0285714 0.0000000 0.0000000), wk = 0.0033223 k( 221) = ( 0.0428571 0.0000000 0.0000000), wk = 0.0033223 k( 222) = ( 0.0571429 0.0000000 0.0000000), wk = 0.0033223 k( 223) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0033223 k( 224) = ( 0.0857143 0.0000000 0.0000000), wk = 0.0033223 k( 225) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0033223 k( 226) = ( 0.1142857 0.0000000 -0.0000000), wk = 0.0033223 k( 227) = ( 0.1285714 0.0000000 0.0000000), wk = 0.0033223 k( 228) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0033223 k( 229) = ( 0.1571429 0.0000000 -0.0000000), wk = 0.0033223 k( 230) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0033223 k( 231) = ( 0.1857143 -0.0000000 -0.0000000), wk = 0.0033223 k( 232) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0033223 k( 233) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0033223 k( 234) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0033223 k( 235) = ( 0.2428571 0.0000000 -0.0000000), wk = 0.0033223 k( 236) = ( 0.2571429 0.0000000 0.0000000), wk = 0.0033223 k( 237) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0033223 k( 238) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0033223 k( 239) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 240) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0033223 k( 241) = ( 0.3285714 0.0000000 -0.0000000), wk = 0.0033223 k( 242) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0033223 k( 243) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0033223 k( 244) = ( 0.3714286 0.0000000 0.0000000), wk = 0.0033223 k( 245) = ( 0.3857143 0.0000000 -0.0000000), wk = 0.0033223 k( 246) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0033223 k( 247) = ( 0.4142857 0.0000000 -0.0000000), wk = 0.0033223 k( 248) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0033223 k( 249) = ( 0.4428571 -0.0000000 -0.0000000), wk = 0.0033223 k( 250) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0033223 k( 251) = ( 0.4714286 0.0000000 0.0000000), wk = 0.0033223 k( 252) = ( 0.4857143 0.0000000 0.0000000), wk = 0.0033223 k( 253) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 255) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0033223 k( 256) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0033223 k( 257) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0033223 k( 258) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0033223 k( 259) = ( 0.4468085 -0.0000000 0.4468085), wk = 0.0033223 k( 260) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0033223 k( 261) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0033223 k( 262) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0033223 k( 263) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0033223 k( 264) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0033223 k( 265) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0033223 k( 266) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0033223 k( 267) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0033223 k( 268) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0033223 k( 269) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0033223 k( 270) = ( 0.3297872 -0.0000000 0.3297872), wk = 0.0033223 k( 271) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0033223 k( 272) = ( 0.3085106 -0.0000000 0.3085106), wk = 0.0033223 k( 273) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0033223 k( 274) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0033223 k( 275) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0033223 k( 276) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0033223 k( 277) = ( 0.2553191 0.0000000 0.2553191), wk = 0.0033223 k( 278) = ( 0.2446809 0.0000000 0.2446809), wk = 0.0033223 k( 279) = ( 0.2340425 0.0000000 0.2340425), wk = 0.0033223 k( 280) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0033223 k( 281) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0033223 k( 282) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0033223 k( 283) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0033223 k( 284) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0033223 k( 285) = ( 0.1702128 0.0000000 0.1702128), wk = 0.0033223 k( 286) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0033223 k( 287) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0033223 k( 288) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0033223 k( 289) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0033223 k( 290) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0033223 k( 291) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0033223 k( 292) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0033223 k( 293) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0033223 k( 294) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0033223 k( 295) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0033223 k( 296) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0033223 k( 297) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0033223 k( 298) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0033223 k( 299) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0033223 k( 300) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0033223 k( 301) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 Dense grid: 114675 G-vectors FFT dimensions: ( 90, 90, 54) Smooth grid: 54855 G-vectors FFT dimensions: ( 72, 72, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 394, 50) NL pseudopotentials 0.31 Mb ( 197, 104) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.02 Mb ( 3186) G-vector shells 0.02 Mb ( 2792) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 394, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.16 Mb ( 104, 2, 50) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./H5CBrN.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.3 secs Computing kpt #: 13 total cpu time spent up to now is 12.1 secs Computing kpt #: 14 total cpu time spent up to now is 12.9 secs Computing kpt #: 15 total cpu time spent up to now is 13.8 secs Computing kpt #: 16 total cpu time spent up to now is 14.6 secs Computing kpt #: 17 total cpu time spent up to now is 15.4 secs Computing kpt #: 18 total cpu time spent up to now is 16.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.1 secs Computing kpt #: 20 total cpu time spent up to now is 17.9 secs Computing kpt #: 21 total cpu time spent up to now is 18.7 secs Computing kpt #: 22 total cpu time spent up to now is 19.5 secs Computing kpt #: 23 total cpu time spent up to now is 20.3 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 21.9 secs Computing kpt #: 26 total cpu time spent up to now is 22.7 secs Computing kpt #: 27 total cpu time spent up to now is 23.6 secs Computing kpt #: 28 total cpu time spent up to now is 24.4 secs Computing kpt #: 29 total cpu time spent up to now is 25.2 secs Computing kpt #: 30 total cpu time spent up to now is 26.0 secs Computing kpt #: 31 total cpu time spent up to now is 26.8 secs Computing kpt #: 32 total cpu time spent up to now is 27.7 secs Computing kpt #: 33 total cpu time spent up to now is 28.5 secs Computing kpt #: 34 total cpu time spent up to now is 29.3 secs Computing kpt #: 35 total cpu time spent up to now is 30.1 secs Computing kpt #: 36 total cpu time spent up to now is 30.9 secs Computing kpt #: 37 total cpu time spent up to now is 31.8 secs Computing kpt #: 38 total cpu time spent up to now is 32.6 secs Computing kpt #: 39 total cpu time spent up to now is 33.4 secs Computing kpt #: 40 total cpu time spent up to now is 34.2 secs Computing kpt #: 41 total cpu time spent up to now is 35.0 secs Computing kpt #: 42 total cpu time spent up to now is 35.9 secs Computing kpt #: 43 total cpu time spent up to now is 36.6 secs Computing kpt #: 44 total cpu time spent up to now is 37.3 secs Computing kpt #: 45 total cpu time spent up to now is 38.0 secs Computing kpt #: 46 total cpu time spent up to now is 38.6 secs Computing kpt #: 47 total cpu time spent up to now is 39.3 secs Computing kpt #: 48 total cpu time spent up to now is 40.0 secs Computing kpt #: 49 total cpu time spent up to now is 40.7 secs Computing kpt #: 50 total cpu time spent up to now is 41.3 secs Computing kpt #: 51 total cpu time spent up to now is 42.0 secs Computing kpt #: 52 total cpu time spent up to now is 42.7 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.1 secs Computing kpt #: 55 total cpu time spent up to now is 44.7 secs Computing kpt #: 56 total cpu time spent up to now is 45.4 secs Computing kpt #: 57 total cpu time spent up to now is 46.1 secs Computing kpt #: 58 total cpu time spent up to now is 46.7 secs Computing kpt #: 59 total cpu time spent up to now is 47.4 secs Computing kpt #: 60 total cpu time spent up to now is 48.1 secs Computing kpt #: 61 total cpu time spent up to now is 48.7 secs Computing kpt #: 62 total cpu time spent up to now is 49.4 secs Computing kpt #: 63 total cpu time spent up to now is 50.0 secs Computing kpt #: 64 total cpu time spent up to now is 50.7 secs Computing kpt #: 65 total cpu time spent up to now is 51.3 secs Computing kpt #: 66 total cpu time spent up to now is 52.0 secs Computing kpt #: 67 total cpu time spent up to now is 52.6 secs Computing kpt #: 68 total cpu time spent up to now is 53.3 secs Computing kpt #: 69 total cpu time spent up to now is 53.9 secs Computing kpt #: 70 total cpu time spent up to now is 54.6 secs Computing kpt #: 71 total cpu time spent up to now is 55.3 secs Computing kpt #: 72 total cpu time spent up to now is 55.9 secs Computing kpt #: 73 total cpu time spent up to now is 56.6 secs Computing kpt #: 74 total cpu time spent up to now is 57.3 secs Computing kpt #: 75 total cpu time spent up to now is 57.9 secs Computing kpt #: 76 total cpu time spent up to now is 58.6 secs Computing kpt #: 77 total cpu time spent up to now is 59.3 secs Computing kpt #: 78 total cpu time spent up to now is 60.0 secs Computing kpt #: 79 total cpu time spent up to now is 60.7 secs Computing kpt #: 80 total cpu time spent up to now is 61.4 secs Computing kpt #: 81 total cpu time spent up to now is 62.1 secs Computing kpt #: 82 total cpu time spent up to now is 62.8 secs Computing kpt #: 83 total cpu time spent up to now is 63.5 secs Computing kpt #: 84 total cpu time spent up to now is 64.2 secs Computing kpt #: 85 total cpu time spent up to now is 64.9 secs Computing kpt #: 86 total cpu time spent up to now is 65.7 secs Computing kpt #: 87 total cpu time spent up to now is 66.4 secs Computing kpt #: 88 total cpu time spent up to now is 67.2 secs Computing kpt #: 89 total cpu time spent up to now is 68.1 secs Computing kpt #: 90 total cpu time spent up to now is 68.9 secs Computing kpt #: 91 total cpu time spent up to now is 69.8 secs Computing kpt #: 92 total cpu time spent up to now is 70.6 secs Computing kpt #: 93 total cpu time spent up to now is 71.4 secs Computing kpt #: 94 total cpu time spent up to now is 72.3 secs Computing kpt #: 95 total cpu time spent up to now is 73.1 secs Computing kpt #: 96 total cpu time spent up to now is 73.9 secs Computing kpt #: 97 total cpu time spent up to now is 74.8 secs Computing kpt #: 98 total cpu time spent up to now is 75.6 secs Computing kpt #: 99 total cpu time spent up to now is 76.4 secs Computing kpt #: 100 total cpu time spent up to now is 77.2 secs Computing kpt #: 101 total cpu time spent up to now is 78.1 secs Computing kpt #: 102 total cpu time spent up to now is 78.9 secs Computing kpt #: 103 total cpu time spent up to now is 79.7 secs Computing kpt #: 104 total cpu time spent up to now is 80.5 secs Computing kpt #: 105 total cpu time spent up to now is 81.3 secs Computing kpt #: 106 total cpu time spent up to now is 82.2 secs Computing kpt #: 107 total cpu time spent up to now is 83.0 secs Computing kpt #: 108 total cpu time spent up to now is 83.9 secs Computing kpt #: 109 total cpu time spent up to now is 84.7 secs Computing kpt #: 110 total cpu time spent up to now is 85.6 secs Computing kpt #: 111 total cpu time spent up to now is 86.4 secs Computing kpt #: 112 total cpu time spent up to now is 87.3 secs Computing kpt #: 113 total cpu time spent up to now is 88.1 secs Computing kpt #: 114 total cpu time spent up to now is 88.9 secs Computing kpt #: 115 total cpu time spent up to now is 89.8 secs Computing kpt #: 116 total cpu time spent up to now is 90.6 secs Computing kpt #: 117 total cpu time spent up to now is 91.4 secs Computing kpt #: 118 total cpu time spent up to now is 92.2 secs Computing kpt #: 119 total cpu time spent up to now is 92.9 secs Computing kpt #: 120 total cpu time spent up to now is 93.7 secs Computing kpt #: 121 total cpu time spent up to now is 94.6 secs Computing kpt #: 122 total cpu time spent up to now is 95.4 secs Computing kpt #: 123 total cpu time spent up to now is 96.2 secs Computing kpt #: 124 total cpu time spent up to now is 97.1 secs Computing kpt #: 125 total cpu time spent up to now is 97.9 secs Computing kpt #: 126 total cpu time spent up to now is 98.7 secs Computing kpt #: 127 total cpu time spent up to now is 99.5 secs Computing kpt #: 128 total cpu time spent up to now is 100.4 secs Computing kpt #: 129 total cpu time spent up to now is 101.2 secs Computing kpt #: 130 total cpu time spent up to now is 102.0 secs Computing kpt #: 131 total cpu time spent up to now is 102.8 secs Computing kpt #: 132 total cpu time spent up to now is 103.6 secs Computing kpt #: 133 total cpu time spent up to now is 104.4 secs Computing kpt #: 134 total cpu time spent up to now is 105.3 secs Computing kpt #: 135 total cpu time spent up to now is 106.3 secs Computing kpt #: 136 total cpu time spent up to now is 107.1 secs Computing kpt #: 137 total cpu time spent up to now is 107.9 secs Computing kpt #: 138 total cpu time spent up to now is 108.7 secs Computing kpt #: 139 total cpu time spent up to now is 109.6 secs Computing kpt #: 140 total cpu time spent up to now is 110.4 secs Computing kpt #: 141 total cpu time spent up to now is 111.1 secs Computing kpt #: 142 total cpu time spent up to now is 111.8 secs Computing kpt #: 143 total cpu time spent up to now is 112.5 secs Computing kpt #: 144 total cpu time spent up to now is 113.2 secs Computing kpt #: 145 total cpu time spent up to now is 113.9 secs Computing kpt #: 146 total cpu time spent up to now is 114.6 secs Computing kpt #: 147 total cpu time spent up to now is 115.3 secs Computing kpt #: 148 total cpu time spent up to now is 115.9 secs Computing kpt #: 149 total cpu time spent up to now is 116.8 secs Computing kpt #: 150 total cpu time spent up to now is 117.6 secs Computing kpt #: 151 total cpu time spent up to now is 118.4 secs Computing kpt #: 152 total cpu time spent up to now is 119.2 secs Computing kpt #: 153 total cpu time spent up to now is 120.0 secs Computing kpt #: 154 total cpu time spent up to now is 120.8 secs Computing kpt #: 155 total cpu time spent up to now is 121.6 secs Computing kpt #: 156 total cpu time spent up to now is 122.4 secs Computing kpt #: 157 total cpu time spent up to now is 123.2 secs Computing kpt #: 158 total cpu time spent up to now is 124.0 secs Computing kpt #: 159 total cpu time spent up to now is 124.8 secs Computing kpt #: 160 total cpu time spent up to now is 125.7 secs Computing kpt #: 161 total cpu time spent up to now is 126.5 secs Computing kpt #: 162 total cpu time spent up to now is 127.3 secs Computing kpt #: 163 total cpu time spent up to now is 128.0 secs Computing kpt #: 164 total cpu time spent up to now is 128.7 secs Computing kpt #: 165 total cpu time spent up to now is 129.4 secs Computing kpt #: 166 total cpu time spent up to now is 130.1 secs Computing kpt #: 167 total cpu time spent up to now is 130.8 secs Computing kpt #: 168 total cpu time spent up to now is 131.5 secs Computing kpt #: 169 total cpu time spent up to now is 132.1 secs Computing kpt #: 170 total cpu time spent up to now is 132.8 secs Computing kpt #: 171 total cpu time spent up to now is 133.5 secs Computing kpt #: 172 total cpu time spent up to now is 134.2 secs Computing kpt #: 173 total cpu time spent up to now is 134.9 secs Computing kpt #: 174 total cpu time spent up to now is 135.6 secs Computing kpt #: 175 total cpu time spent up to now is 136.3 secs Computing kpt #: 176 total cpu time spent up to now is 137.0 secs Computing kpt #: 177 total cpu time spent up to now is 137.7 secs Computing kpt #: 178 total cpu time spent up to now is 138.4 secs Computing kpt #: 179 total cpu time spent up to now is 139.1 secs Computing kpt #: 180 total cpu time spent up to now is 139.8 secs Computing kpt #: 181 total cpu time spent up to now is 140.5 secs Computing kpt #: 182 total cpu time spent up to now is 141.3 secs Computing kpt #: 183 total cpu time spent up to now is 142.0 secs Computing kpt #: 184 total cpu time spent up to now is 142.7 secs Computing kpt #: 185 total cpu time spent up to now is 143.3 secs Computing kpt #: 186 total cpu time spent up to now is 144.0 secs Computing kpt #: 187 total cpu time spent up to now is 144.7 secs Computing kpt #: 188 total cpu time spent up to now is 145.3 secs Computing kpt #: 189 total cpu time spent up to now is 146.0 secs Computing kpt #: 190 total cpu time spent up to now is 146.7 secs Computing kpt #: 191 total cpu time spent up to now is 147.4 secs Computing kpt #: 192 total cpu time spent up to now is 148.0 secs Computing kpt #: 193 total cpu time spent up to now is 148.7 secs Computing kpt #: 194 total cpu time spent up to now is 149.4 secs Computing kpt #: 195 total cpu time spent up to now is 150.1 secs Computing kpt #: 196 total cpu time spent up to now is 150.8 secs Computing kpt #: 197 total cpu time spent up to now is 151.5 secs Computing kpt #: 198 total cpu time spent up to now is 152.2 secs Computing kpt #: 199 total cpu time spent up to now is 152.9 secs Computing kpt #: 200 total cpu time spent up to now is 153.6 secs Computing kpt #: 201 total cpu time spent up to now is 154.3 secs Computing kpt #: 202 total cpu time spent up to now is 155.0 secs Computing kpt #: 203 total cpu time spent up to now is 155.6 secs Computing kpt #: 204 total cpu time spent up to now is 156.3 secs Computing kpt #: 205 total cpu time spent up to now is 157.0 secs Computing kpt #: 206 total cpu time spent up to now is 157.8 secs Computing kpt #: 207 total cpu time spent up to now is 158.6 secs Computing kpt #: 208 total cpu time spent up to now is 159.4 secs Computing kpt #: 209 total cpu time spent up to now is 160.2 secs Computing kpt #: 210 total cpu time spent up to now is 161.0 secs Computing kpt #: 211 total cpu time spent up to now is 161.8 secs Computing kpt #: 212 total cpu time spent up to now is 162.6 secs Computing kpt #: 213 total cpu time spent up to now is 163.4 secs Computing kpt #: 214 total cpu time spent up to now is 164.1 secs Computing kpt #: 215 total cpu time spent up to now is 164.8 secs Computing kpt #: 216 total cpu time spent up to now is 165.5 secs Computing kpt #: 217 total cpu time spent up to now is 166.2 secs Computing kpt #: 218 total cpu time spent up to now is 166.9 secs Computing kpt #: 219 total cpu time spent up to now is 167.5 secs Computing kpt #: 220 total cpu time spent up to now is 168.2 secs Computing kpt #: 221 total cpu time spent up to now is 168.9 secs Computing kpt #: 222 total cpu time spent up to now is 169.7 secs Computing kpt #: 223 total cpu time spent up to now is 170.5 secs Computing kpt #: 224 total cpu time spent up to now is 171.3 secs Computing kpt #: 225 total cpu time spent up to now is 172.2 secs Computing kpt #: 226 total cpu time spent up to now is 172.9 secs Computing kpt #: 227 total cpu time spent up to now is 173.7 secs Computing kpt #: 228 total cpu time spent up to now is 174.5 secs Computing kpt #: 229 total cpu time spent up to now is 175.3 secs Computing kpt #: 230 total cpu time spent up to now is 176.2 secs Computing kpt #: 231 total cpu time spent up to now is 176.9 secs Computing kpt #: 232 total cpu time spent up to now is 177.6 secs Computing kpt #: 233 total cpu time spent up to now is 178.3 secs Computing kpt #: 234 total cpu time spent up to now is 179.0 secs Computing kpt #: 235 total cpu time spent up to now is 179.7 secs Computing kpt #: 236 total cpu time spent up to now is 180.4 secs Computing kpt #: 237 total cpu time spent up to now is 181.1 secs Computing kpt #: 238 total cpu time spent up to now is 181.8 secs Computing kpt #: 239 total cpu time spent up to now is 182.5 secs Computing kpt #: 240 total cpu time spent up to now is 183.2 secs Computing kpt #: 241 total cpu time spent up to now is 184.0 secs Computing kpt #: 242 total cpu time spent up to now is 184.7 secs Computing kpt #: 243 total cpu time spent up to now is 185.4 secs Computing kpt #: 244 total cpu time spent up to now is 186.2 secs Computing kpt #: 245 total cpu time spent up to now is 186.9 secs Computing kpt #: 246 total cpu time spent up to now is 187.6 secs Computing kpt #: 247 total cpu time spent up to now is 188.3 secs Computing kpt #: 248 total cpu time spent up to now is 189.0 secs Computing kpt #: 249 total cpu time spent up to now is 189.7 secs Computing kpt #: 250 total cpu time spent up to now is 190.4 secs Computing kpt #: 251 total cpu time spent up to now is 191.1 secs Computing kpt #: 252 total cpu time spent up to now is 191.8 secs Computing kpt #: 253 total cpu time spent up to now is 192.5 secs Computing kpt #: 254 total cpu time spent up to now is 193.4 secs Computing kpt #: 255 total cpu time spent up to now is 194.2 secs Computing kpt #: 256 total cpu time spent up to now is 195.0 secs Computing kpt #: 257 total cpu time spent up to now is 195.9 secs Computing kpt #: 258 total cpu time spent up to now is 196.7 secs Computing kpt #: 259 total cpu time spent up to now is 197.5 secs Computing kpt #: 260 total cpu time spent up to now is 198.3 secs Computing kpt #: 261 total cpu time spent up to now is 199.2 secs Computing kpt #: 262 total cpu time spent up to now is 200.0 secs Computing kpt #: 263 total cpu time spent up to now is 200.9 secs Computing kpt #: 264 total cpu time spent up to now is 202.1 secs Computing kpt #: 265 total cpu time spent up to now is 203.1 secs Computing kpt #: 266 total cpu time spent up to now is 204.0 secs Computing kpt #: 267 total cpu time spent up to now is 204.8 secs Computing kpt #: 268 total cpu time spent up to now is 205.6 secs Computing kpt #: 269 total cpu time spent up to now is 206.5 secs Computing kpt #: 270 total cpu time spent up to now is 207.3 secs Computing kpt #: 271 total cpu time spent up to now is 208.1 secs Computing kpt #: 272 total cpu time spent up to now is 208.9 secs Computing kpt #: 273 total cpu time spent up to now is 209.6 secs Computing kpt #: 274 total cpu time spent up to now is 210.3 secs Computing kpt #: 275 total cpu time spent up to now is 211.2 secs Computing kpt #: 276 total cpu time spent up to now is 211.9 secs Computing kpt #: 277 total cpu time spent up to now is 212.6 secs Computing kpt #: 278 total cpu time spent up to now is 213.3 secs Computing kpt #: 279 total cpu time spent up to now is 214.0 secs Computing kpt #: 280 total cpu time spent up to now is 214.6 secs Computing kpt #: 281 total cpu time spent up to now is 215.3 secs Computing kpt #: 282 total cpu time spent up to now is 216.0 secs Computing kpt #: 283 total cpu time spent up to now is 216.9 secs Computing kpt #: 284 total cpu time spent up to now is 217.7 secs Computing kpt #: 285 total cpu time spent up to now is 218.5 secs Computing kpt #: 286 total cpu time spent up to now is 219.3 secs Computing kpt #: 287 total cpu time spent up to now is 220.1 secs Computing kpt #: 288 total cpu time spent up to now is 221.0 secs Computing kpt #: 289 total cpu time spent up to now is 221.8 secs Computing kpt #: 290 total cpu time spent up to now is 222.6 secs Computing kpt #: 291 total cpu time spent up to now is 223.4 secs Computing kpt #: 292 total cpu time spent up to now is 224.2 secs Computing kpt #: 293 total cpu time spent up to now is 225.0 secs Computing kpt #: 294 total cpu time spent up to now is 225.8 secs Computing kpt #: 295 total cpu time spent up to now is 226.6 secs Computing kpt #: 296 total cpu time spent up to now is 227.4 secs Computing kpt #: 297 total cpu time spent up to now is 228.2 secs Computing kpt #: 298 total cpu time spent up to now is 228.9 secs Computing kpt #: 299 total cpu time spent up to now is 229.6 secs Computing kpt #: 300 total cpu time spent up to now is 230.3 secs Computing kpt #: 301 total cpu time spent up to now is 231.0 secs ethr = 2.38E-08, avg # of iterations = 20.4 total cpu time spent up to now is 231.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2797 -14.2797 -11.4951 -11.4951 -11.4873 -11.4873 -11.3777 -11.3777 -9.7555 -9.7555 -9.4256 -9.4256 -9.4123 -9.4123 -9.0451 -9.0451 -6.9528 -6.9528 -5.8971 -5.8971 -5.8596 -5.8596 -4.4980 -4.4980 -3.7343 -3.7343 -0.1508 -0.1508 0.3377 0.3377 0.3619 0.3619 0.5820 0.5820 0.7882 0.7882 0.8388 0.8388 5.5260 5.5260 6.5205 6.5205 7.0687 7.0687 7.2556 7.2556 k = 0.0227 0.0071-0.0048 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3525 -20.3525 -14.2796 -14.2796 -11.5008 -11.5008 -11.4818 -11.4818 -11.3775 -11.3775 -9.7554 -9.7554 -9.4257 -9.4257 -9.4125 -9.4125 -9.0450 -9.0450 -6.9528 -6.9528 -5.8973 -5.8973 -5.8596 -5.8596 -4.4978 -4.4978 -3.7343 -3.7343 -0.1501 -0.1501 0.3360 0.3360 0.3636 0.3636 0.5818 0.5818 0.7884 0.7884 0.8384 0.8384 5.5249 5.5249 6.5218 6.5218 7.0586 7.0586 7.2676 7.2676 k = 0.0455 0.0143-0.0095 ( 6839 PWs) bands (ev): -20.5666 -20.5666 -20.3526 -20.3526 -14.2796 -14.2796 -11.5094 -11.5094 -11.4739 -11.4739 -11.3766 -11.3766 -9.7550 -9.7550 -9.4259 -9.4259 -9.4129 -9.4129 -9.0447 -9.0447 -6.9531 -6.9531 -5.8977 -5.8977 -5.8598 -5.8598 -4.4973 -4.4973 -3.7342 -3.7342 -0.1482 -0.1482 0.3318 0.3318 0.3678 0.3678 0.5811 0.5811 0.7889 0.7889 0.8372 0.8372 5.5218 5.5218 6.5251 6.5251 7.0346 7.0346 7.2979 7.2979 k = 0.0682 0.0214-0.0143 ( 6838 PWs) bands (ev): -20.5664 -20.5664 -20.3528 -20.3528 -14.2794 -14.2794 -11.5182 -11.5182 -11.4663 -11.4663 -11.3752 -11.3752 -9.7545 -9.7545 -9.4264 -9.4264 -9.4137 -9.4137 -9.0442 -9.0442 -6.9535 -6.9535 -5.8984 -5.8984 -5.8600 -5.8600 -4.4964 -4.4964 -3.7341 -3.7341 -0.1449 -0.1449 0.3266 0.3266 0.3730 0.3730 0.5799 0.5799 0.7897 0.7897 0.8352 0.8352 5.5168 5.5168 6.5296 6.5296 7.0061 7.0061 7.3377 7.3377 k = 0.0909 0.0286-0.0191 ( 6840 PWs) bands (ev): -20.5662 -20.5662 -20.3531 -20.3531 -14.2793 -14.2793 -11.5271 -11.5271 -11.4592 -11.4592 -11.3731 -11.3731 -9.7538 -9.7538 -9.4270 -9.4270 -9.4147 -9.4147 -9.0435 -9.0435 -6.9540 -6.9540 -5.8994 -5.8994 -5.8603 -5.8603 -4.4951 -4.4951 -3.7339 -3.7339 -0.1404 -0.1404 0.3209 0.3209 0.3785 0.3785 0.5782 0.5782 0.7908 0.7908 0.8325 0.8325 5.5105 5.5105 6.5336 6.5336 6.9791 6.9791 7.3820 7.3820 k = 0.1136 0.0357-0.0239 ( 6835 PWs) bands (ev): -20.5659 -20.5659 -20.3535 -20.3535 -14.2790 -14.2790 -11.5358 -11.5358 -11.4527 -11.4527 -11.3705 -11.3705 -9.7528 -9.7528 -9.4278 -9.4278 -9.4161 -9.4161 -9.0426 -9.0426 -6.9547 -6.9547 -5.9007 -5.9007 -5.8606 -5.8606 -4.4936 -4.4936 -3.7336 -3.7336 -0.1347 -0.1347 0.3150 0.3150 0.3842 0.3842 0.5763 0.5763 0.7919 0.7919 0.8291 0.8291 5.5033 5.5033 6.5348 6.5348 6.9574 6.9574 7.4283 7.4283 k = 0.1364 0.0429-0.0286 ( 6848 PWs) bands (ev): -20.5655 -20.5655 -20.3539 -20.3539 -14.2788 -14.2788 -11.5445 -11.5445 -11.4469 -11.4469 -11.3672 -11.3672 -9.7517 -9.7517 -9.4287 -9.4287 -9.4176 -9.4176 -9.0416 -9.0416 -6.9555 -6.9555 -5.9021 -5.9021 -5.8610 -5.8610 -4.4917 -4.4917 -3.7333 -3.7333 -0.1277 -0.1277 0.3093 0.3093 0.3897 0.3897 0.5740 0.5740 0.7930 0.7930 0.8251 0.8251 5.4959 5.4959 6.5310 6.5310 6.9439 6.9439 7.4752 7.4752 k = 0.1591 0.0500-0.0334 ( 6856 PWs) bands (ev): -20.5651 -20.5651 -20.3544 -20.3544 -14.2785 -14.2785 -11.5528 -11.5528 -11.4419 -11.4419 -11.3634 -11.3634 -9.7505 -9.7505 -9.4298 -9.4298 -9.4193 -9.4193 -9.0405 -9.0405 -6.9564 -6.9564 -5.9038 -5.9038 -5.8615 -5.8615 -4.4897 -4.4897 -3.7330 -3.7330 -0.1196 -0.1196 0.3037 0.3037 0.3950 0.3950 0.5715 0.5715 0.7936 0.7936 0.8208 0.8208 5.4888 5.4888 6.5205 6.5205 6.9401 6.9401 7.5220 7.5220 k = 0.1818 0.0571-0.0382 ( 6865 PWs) bands (ev): -20.5646 -20.5646 -20.3549 -20.3549 -14.2782 -14.2782 -11.5609 -11.5609 -11.4376 -11.4376 -11.3591 -11.3591 -9.7491 -9.7491 -9.4310 -9.4310 -9.4212 -9.4212 -9.0392 -9.0392 -6.9574 -6.9574 -5.9057 -5.9057 -5.8621 -5.8621 -4.4874 -4.4874 -3.7326 -3.7326 -0.1105 -0.1105 0.2983 0.2983 0.4001 0.4001 0.5688 0.5688 0.7929 0.7929 0.8169 0.8169 5.4825 5.4825 6.5029 6.5029 6.9461 6.9461 7.5678 7.5678 k = 0.2045 0.0643-0.0429 ( 6861 PWs) bands (ev): -20.5641 -20.5641 -20.3555 -20.3555 -14.2778 -14.2778 -11.5686 -11.5686 -11.4341 -11.4341 -11.3543 -11.3543 -9.7476 -9.7476 -9.4323 -9.4323 -9.4232 -9.4232 -9.0379 -9.0379 -6.9584 -6.9584 -5.9077 -5.9077 -5.8626 -5.8626 -4.4849 -4.4849 -3.7322 -3.7322 -0.1004 -0.1004 0.2932 0.2932 0.4048 0.4048 0.5661 0.5661 0.7902 0.7902 0.8144 0.8144 5.4774 5.4774 6.4790 6.4790 6.9604 6.9604 7.6119 7.6119 k = 0.2273 0.0714-0.0477 ( 6866 PWs) bands (ev): -20.5635 -20.5635 -20.3561 -20.3561 -14.2775 -14.2775 -11.5759 -11.5759 -11.4312 -11.4312 -11.3494 -11.3494 -9.7460 -9.7460 -9.4337 -9.4337 -9.4252 -9.4252 -9.0365 -9.0365 -6.9595 -6.9595 -5.9097 -5.9097 -5.8632 -5.8632 -4.4823 -4.4823 -3.7318 -3.7318 -0.0894 -0.0894 0.2885 0.2885 0.4092 0.4092 0.5633 0.5633 0.7847 0.7847 0.8136 0.8136 5.4739 5.4739 6.4503 6.4503 6.9810 6.9810 7.6536 7.6536 k = 0.2500 0.0786-0.0525 ( 6867 PWs) bands (ev): -20.5630 -20.5630 -20.3567 -20.3567 -14.2771 -14.2771 -11.5828 -11.5828 -11.4288 -11.4288 -11.3443 -11.3443 -9.7443 -9.7443 -9.4353 -9.4353 -9.4271 -9.4271 -9.0351 -9.0351 -6.9606 -6.9606 -5.9119 -5.9119 -5.8638 -5.8638 -4.4797 -4.4797 -3.7313 -3.7313 -0.0777 -0.0777 0.2841 0.2841 0.4131 0.4131 0.5606 0.5606 0.7772 0.7772 0.8142 0.8142 5.4723 5.4723 6.4184 6.4184 7.0056 7.0056 7.6921 7.6921 k = 0.2727 0.0857-0.0572 ( 6863 PWs) bands (ev): -20.5624 -20.5624 -20.3573 -20.3573 -14.2767 -14.2767 -11.5892 -11.5892 -11.4268 -11.4268 -11.3392 -11.3392 -9.7426 -9.7426 -9.4369 -9.4369 -9.4290 -9.4290 -9.0336 -9.0336 -6.9617 -6.9617 -5.9141 -5.9141 -5.8644 -5.8644 -4.4771 -4.4771 -3.7309 -3.7309 -0.0655 -0.0655 0.2801 0.2801 0.4166 0.4166 0.5580 0.5580 0.7682 0.7682 0.8154 0.8154 5.4726 5.4726 6.3847 6.3847 7.0321 7.0321 7.7265 7.7265 k = 0.2955 0.0929-0.0620 ( 6871 PWs) bands (ev): -20.5619 -20.5619 -20.3580 -20.3580 -14.2764 -14.2764 -11.5950 -11.5950 -11.4253 -11.4253 -11.3344 -11.3344 -9.7410 -9.7410 -9.4386 -9.4386 -9.4307 -9.4307 -9.0323 -9.0323 -6.9628 -6.9628 -5.9162 -5.9162 -5.8650 -5.8650 -4.4745 -4.4745 -3.7305 -3.7305 -0.0531 -0.0531 0.2766 0.2766 0.4196 0.4196 0.5556 0.5556 0.7584 0.7584 0.8170 0.8170 5.4748 5.4748 6.3504 6.3504 7.0589 7.0589 7.7567 7.7567 k = 0.3182 0.1000-0.0668 ( 6867 PWs) bands (ev): -20.5613 -20.5613 -20.3586 -20.3586 -14.2760 -14.2760 -11.6004 -11.6004 -11.4240 -11.4240 -11.3297 -11.3297 -9.7394 -9.7394 -9.4404 -9.4404 -9.4323 -9.4323 -9.0310 -9.0310 -6.9638 -6.9638 -5.9182 -5.9182 -5.8655 -5.8655 -4.4720 -4.4720 -3.7301 -3.7301 -0.0406 -0.0406 0.2736 0.2736 0.4221 0.4221 0.5534 0.5534 0.7480 0.7480 0.8186 0.8186 5.4789 5.4789 6.3164 6.3164 7.0845 7.0845 7.7827 7.7827 k = 0.3409 0.1071-0.0716 ( 6869 PWs) bands (ev): -20.5608 -20.5608 -20.3591 -20.3591 -14.2757 -14.2757 -11.6051 -11.6051 -11.4230 -11.4230 -11.3255 -11.3255 -9.7378 -9.7378 -9.4421 -9.4421 -9.4336 -9.4336 -9.0298 -9.0298 -6.9648 -6.9648 -5.9202 -5.9202 -5.8661 -5.8661 -4.4697 -4.4697 -3.7297 -3.7297 -0.0284 -0.0284 0.2710 0.2710 0.4241 0.4241 0.5515 0.5515 0.7376 0.7376 0.8202 0.8202 5.4846 5.4846 6.2836 6.2836 7.1078 7.1078 7.8055 7.8055 k = 0.3636 0.1143-0.0763 ( 6869 PWs) bands (ev): -20.5604 -20.5604 -20.3596 -20.3596 -14.2754 -14.2754 -11.6093 -11.6093 -11.4222 -11.4222 -11.3216 -11.3216 -9.7364 -9.7364 -9.4437 -9.4437 -9.4348 -9.4348 -9.0286 -9.0286 -6.9656 -6.9656 -5.9220 -5.9220 -5.8665 -5.8665 -4.4676 -4.4676 -3.7294 -3.7294 -0.0169 -0.0169 0.2689 0.2689 0.4257 0.4257 0.5499 0.5499 0.7274 0.7274 0.8217 0.8217 5.4915 5.4915 6.2527 6.2527 7.1281 7.1281 7.8261 7.8261 k = 0.3864 0.1214-0.0811 ( 6874 PWs) bands (ev): -20.5600 -20.5600 -20.3601 -20.3601 -14.2751 -14.2751 -11.6128 -11.6128 -11.4216 -11.4216 -11.3183 -11.3183 -9.7352 -9.7352 -9.4453 -9.4453 -9.4358 -9.4358 -9.0277 -9.0277 -6.9664 -6.9664 -5.9235 -5.9235 -5.8670 -5.8670 -4.4657 -4.4657 -3.7291 -3.7291 -0.0063 -0.0063 0.2673 0.2673 0.4268 0.4268 0.5486 0.5486 0.7178 0.7178 0.8230 0.8230 5.4990 5.4990 6.2246 6.2246 7.1448 7.1448 7.8456 7.8456 k = 0.4091 0.1286-0.0859 ( 6873 PWs) bands (ev): -20.5596 -20.5596 -20.3605 -20.3605 -14.2749 -14.2749 -11.6158 -11.6158 -11.4211 -11.4211 -11.3155 -11.3155 -9.7341 -9.7341 -9.4466 -9.4466 -9.4366 -9.4366 -9.0268 -9.0268 -6.9671 -6.9671 -5.9249 -5.9249 -5.8673 -5.8673 -4.4641 -4.4641 -3.7288 -3.7288 0.0030 0.0030 0.2661 0.2661 0.4276 0.4276 0.5476 0.5476 0.7092 0.7092 0.8242 0.8242 5.5066 5.5066 6.2000 6.2000 7.1581 7.1581 7.8640 7.8640 k = 0.4318 0.1357-0.0906 ( 6873 PWs) bands (ev): -20.5594 -20.5594 -20.3608 -20.3608 -14.2747 -14.2747 -11.6181 -11.6181 -11.4207 -11.4207 -11.3133 -11.3133 -9.7332 -9.7332 -9.4476 -9.4476 -9.4372 -9.4372 -9.0262 -9.0262 -6.9676 -6.9676 -5.9260 -5.9260 -5.8676 -5.8676 -4.4628 -4.4628 -3.7286 -3.7286 0.0107 0.0107 0.2653 0.2653 0.4280 0.4280 0.5469 0.5469 0.7021 0.7021 0.8250 0.8250 5.5135 5.5135 6.1797 6.1797 7.1679 7.1679 7.8808 7.8808 k = 0.4545 0.1429-0.0954 ( 6875 PWs) bands (ev): -20.5592 -20.5592 -20.3610 -20.3610 -14.2746 -14.2746 -11.6197 -11.6197 -11.4205 -11.4205 -11.3117 -11.3117 -9.7326 -9.7326 -9.4484 -9.4484 -9.4377 -9.4377 -9.0257 -9.0257 -6.9680 -6.9680 -5.9267 -5.9267 -5.8678 -5.8678 -4.4619 -4.4619 -3.7285 -3.7285 0.0164 0.0164 0.2648 0.2648 0.4283 0.4283 0.5464 0.5464 0.6967 0.6967 0.8257 0.8257 5.5191 5.5191 6.1646 6.1646 7.1746 7.1746 7.8948 7.8948 k = 0.4773 0.1500-0.1002 ( 6881 PWs) bands (ev): -20.5590 -20.5590 -20.3611 -20.3611 -14.2745 -14.2745 -11.6207 -11.6207 -11.4203 -11.4203 -11.3107 -11.3107 -9.7322 -9.7322 -9.4489 -9.4489 -9.4380 -9.4380 -9.0254 -9.0254 -6.9682 -6.9682 -5.9272 -5.9272 -5.8679 -5.8679 -4.4613 -4.4613 -3.7284 -3.7284 0.0199 0.0199 0.2645 0.2645 0.4284 0.4284 0.5461 0.5461 0.6933 0.6933 0.8261 0.8261 5.5228 5.5228 6.1552 6.1552 7.1784 7.1784 7.9041 7.9041 k = 0.5000 0.1572-0.1049 ( 6872 PWs) bands (ev): -20.5590 -20.5590 -20.3612 -20.3612 -14.2745 -14.2745 -11.6210 -11.6210 -11.4203 -11.4203 -11.3104 -11.3104 -9.7321 -9.7321 -9.4491 -9.4491 -9.4380 -9.4380 -9.0253 -9.0253 -6.9683 -6.9683 -5.9274 -5.9274 -5.8680 -5.8680 -4.4611 -4.4611 -3.7283 -3.7283 0.0211 0.0211 0.2644 0.2644 0.4284 0.4284 0.5460 0.5460 0.6922 0.6922 0.8262 0.8262 5.5240 5.5240 6.1520 6.1520 7.1797 7.1797 7.9075 7.9075 k = 0.5000 0.1572-0.1049 ( 6872 PWs) bands (ev): -20.5590 -20.5590 -20.3612 -20.3612 -14.2745 -14.2745 -11.6210 -11.6210 -11.4203 -11.4203 -11.3104 -11.3104 -9.7321 -9.7321 -9.4491 -9.4491 -9.4380 -9.4380 -9.0253 -9.0253 -6.9683 -6.9683 -5.9274 -5.9274 -5.8680 -5.8680 -4.4611 -4.4611 -3.7283 -3.7283 0.0211 0.0211 0.2644 0.2644 0.4284 0.4284 0.5460 0.5460 0.6922 0.6922 0.8262 0.8262 5.5240 5.5240 6.1520 6.1520 7.1797 7.1797 7.9075 7.9075 k = 0.5047 0.1586-0.0804 ( 6881 PWs) bands (ev): -20.5590 -20.5590 -20.3612 -20.3612 -14.2744 -14.2744 -11.6220 -11.6220 -11.4215 -11.4215 -11.3089 -11.3089 -9.7318 -9.7318 -9.4490 -9.4490 -9.4380 -9.4380 -9.0253 -9.0253 -6.9689 -6.9689 -5.9270 -5.9270 -5.8678 -5.8678 -4.4602 -4.4602 -3.7290 -3.7290 0.0209 0.0209 0.2632 0.2632 0.4286 0.4286 0.5454 0.5454 0.6918 0.6918 0.8253 0.8253 5.5273 5.5273 6.1543 6.1543 7.1791 7.1791 7.9105 7.9105 k = 0.5094 0.1601-0.0559 ( 6876 PWs) bands (ev): -20.5589 -20.5589 -20.3611 -20.3611 -14.2739 -14.2739 -11.6248 -11.6248 -11.4248 -11.4248 -11.3047 -11.3047 -9.7309 -9.7309 -9.4486 -9.4486 -9.4377 -9.4377 -9.0252 -9.0252 -6.9709 -6.9709 -5.9260 -5.9260 -5.8671 -5.8671 -4.4576 -4.4576 -3.7309 -3.7309 0.0201 0.0201 0.2595 0.2595 0.4291 0.4291 0.5435 0.5435 0.6906 0.6906 0.8226 0.8226 5.5369 5.5369 6.1614 6.1614 7.1775 7.1775 7.9197 7.9197 k = 0.5141 0.1616-0.0314 ( 6872 PWs) bands (ev): -20.5588 -20.5588 -20.3610 -20.3610 -14.2731 -14.2731 -11.6294 -11.6294 -11.4298 -11.4298 -11.2983 -11.2983 -9.7295 -9.7295 -9.4479 -9.4479 -9.4372 -9.4372 -9.0251 -9.0251 -6.9740 -6.9740 -5.9243 -5.9243 -5.8660 -5.8660 -4.4533 -4.4533 -3.7340 -3.7340 0.0187 0.0187 0.2534 0.2534 0.4299 0.4299 0.5405 0.5405 0.6885 0.6885 0.8183 0.8183 5.5530 5.5530 6.1730 6.1730 7.1749 7.1749 7.9348 7.9348 k = 0.5187 0.1630-0.0069 ( 6865 PWs) bands (ev): -20.5587 -20.5587 -20.3609 -20.3609 -14.2720 -14.2720 -11.6358 -11.6358 -11.4358 -11.4358 -11.2904 -11.2904 -9.7275 -9.7275 -9.4471 -9.4471 -9.4366 -9.4366 -9.0250 -9.0250 -6.9784 -6.9784 -5.9221 -5.9221 -5.8645 -5.8645 -4.4472 -4.4472 -3.7384 -3.7384 0.0168 0.0168 0.2451 0.2451 0.4308 0.4308 0.5365 0.5365 0.6855 0.6855 0.8124 0.8124 5.5752 5.5752 6.1889 6.1889 7.1713 7.1713 7.9559 7.9559 k = 0.5234 0.1645 0.0177 ( 6862 PWs) bands (ev): -20.5585 -20.5585 -20.3608 -20.3608 -14.2707 -14.2707 -11.6439 -11.6439 -11.4424 -11.4424 -11.2814 -11.2814 -9.7250 -9.7250 -9.4460 -9.4460 -9.4358 -9.4358 -9.0248 -9.0248 -6.9839 -6.9839 -5.9192 -5.9192 -5.8626 -5.8626 -4.4395 -4.4395 -3.7439 -3.7439 0.0141 0.0141 0.2347 0.2347 0.4317 0.4317 0.5316 0.5316 0.6816 0.6816 0.8053 0.8053 5.6033 5.6033 6.2090 6.2090 7.1670 7.1670 7.9828 7.9828 k = 0.5281 0.1660 0.0422 ( 6857 PWs) bands (ev): -20.5583 -20.5583 -20.3606 -20.3606 -14.2690 -14.2690 -11.6535 -11.6535 -11.4492 -11.4492 -11.2718 -11.2718 -9.7219 -9.7219 -9.4447 -9.4447 -9.4348 -9.4348 -9.0245 -9.0245 -6.9905 -6.9905 -5.9159 -5.9159 -5.8602 -5.8602 -4.4303 -4.4303 -3.7506 -3.7506 0.0107 0.0107 0.2224 0.2224 0.4324 0.4324 0.5261 0.5261 0.6768 0.6768 0.7973 0.7973 5.6372 5.6372 6.2327 6.2327 7.1622 7.1622 8.0152 8.0152 k = 0.5328 0.1675 0.0667 ( 6866 PWs) bands (ev): -20.5580 -20.5580 -20.3604 -20.3604 -14.2671 -14.2671 -11.6645 -11.6645 -11.4560 -11.4560 -11.2620 -11.2620 -9.7184 -9.7184 -9.4432 -9.4432 -9.4337 -9.4337 -9.0243 -9.0243 -6.9979 -6.9979 -5.9121 -5.9121 -5.8575 -5.8575 -4.4196 -4.4196 -3.7583 -3.7583 0.0064 0.0064 0.2082 0.2082 0.4327 0.4327 0.5204 0.5204 0.6712 0.6712 0.7885 0.7885 5.6764 5.6764 6.2597 6.2597 7.1570 7.1570 8.0529 8.0529 k = 0.5375 0.1689 0.0912 ( 6871 PWs) bands (ev): -20.5578 -20.5578 -20.3601 -20.3601 -14.2649 -14.2649 -11.6767 -11.6767 -11.4626 -11.4626 -11.2521 -11.2521 -9.7144 -9.7144 -9.4415 -9.4415 -9.4324 -9.4324 -9.0240 -9.0240 -7.0062 -7.0062 -5.9080 -5.9080 -5.8544 -5.8544 -4.4076 -4.4076 -3.7671 -3.7671 0.0010 0.0010 0.1925 0.1925 0.4323 0.4323 0.5146 0.5146 0.6648 0.6648 0.7793 0.7793 5.7207 5.7207 6.2894 6.2894 7.1517 7.1517 8.0955 8.0955 k = 0.5422 0.1704 0.1158 ( 6871 PWs) bands (ev): -20.5575 -20.5575 -20.3599 -20.3599 -14.2625 -14.2625 -11.6899 -11.6899 -11.4691 -11.4691 -11.2423 -11.2423 -9.7100 -9.7100 -9.4396 -9.4396 -9.4309 -9.4309 -9.0237 -9.0237 -7.0152 -7.0152 -5.9036 -5.9036 -5.8510 -5.8510 -4.3943 -4.3943 -3.7767 -3.7767 -0.0054 -0.0054 0.1754 0.1754 0.4311 0.4311 0.5091 0.5091 0.6577 0.6577 0.7700 0.7700 5.7697 5.7697 6.3213 6.3213 7.1467 7.1467 8.1427 8.1427 k = 0.5468 0.1719 0.1403 ( 6873 PWs) bands (ev): -20.5571 -20.5571 -20.3596 -20.3596 -14.2599 -14.2599 -11.7040 -11.7040 -11.4754 -11.4754 -11.2327 -11.2327 -9.7052 -9.7052 -9.4376 -9.4376 -9.4293 -9.4293 -9.0233 -9.0233 -7.0247 -7.0247 -5.8990 -5.8990 -5.8472 -5.8472 -4.3798 -4.3798 -3.7872 -3.7872 -0.0132 -0.0132 0.1569 0.1569 0.4290 0.4290 0.5040 0.5040 0.6503 0.6503 0.7606 0.7606 5.8229 5.8229 6.3547 6.3547 7.1422 7.1422 8.1937 8.1937 k = 0.5515 0.1733 0.1648 ( 6859 PWs) bands (ev): -20.5568 -20.5568 -20.3593 -20.3593 -14.2571 -14.2571 -11.7188 -11.7188 -11.4814 -11.4814 -11.2234 -11.2234 -9.7001 -9.7001 -9.4355 -9.4355 -9.4275 -9.4275 -9.0229 -9.0229 -7.0347 -7.0347 -5.8943 -5.8943 -5.8431 -5.8431 -4.3644 -4.3644 -3.7985 -3.7985 -0.0222 -0.0222 0.1373 0.1373 0.4261 0.4261 0.4995 0.4995 0.6428 0.6428 0.7513 0.7513 5.8801 5.8801 6.3889 6.3889 7.1389 7.1389 8.2472 8.2472 k = 0.5562 0.1748 0.1893 ( 6864 PWs) bands (ev): -20.5564 -20.5564 -20.3590 -20.3590 -14.2541 -14.2541 -11.7340 -11.7340 -11.4872 -11.4872 -11.2146 -11.2146 -9.6947 -9.6947 -9.4334 -9.4334 -9.4255 -9.4255 -9.0225 -9.0225 -7.0450 -7.0450 -5.8896 -5.8896 -5.8388 -5.8388 -4.3481 -4.3481 -3.8104 -3.8104 -0.0326 -0.0326 0.1168 0.1168 0.4224 0.4224 0.4954 0.4954 0.6355 0.6355 0.7421 0.7421 5.9407 5.9407 6.4230 6.4230 7.1369 7.1369 8.3006 8.3006 k = 0.5609 0.1763 0.2139 ( 6859 PWs) bands (ev): -20.5560 -20.5560 -20.3586 -20.3586 -14.2509 -14.2509 -11.7496 -11.7496 -11.4927 -11.4927 -11.2061 -11.2061 -9.6891 -9.6891 -9.4312 -9.4312 -9.4234 -9.4234 -9.0221 -9.0221 -7.0556 -7.0556 -5.8849 -5.8849 -5.8342 -5.8342 -4.3311 -4.3311 -3.8228 -3.8228 -0.0443 -0.0443 0.0953 0.0953 0.4183 0.4183 0.4915 0.4915 0.6288 0.6288 0.7331 0.7331 6.0044 6.0044 6.4563 6.4563 7.1370 7.1370 8.3481 8.3481 k = 0.5656 0.1778 0.2384 ( 6862 PWs) bands (ev): -20.5556 -20.5556 -20.3583 -20.3583 -14.2477 -14.2477 -11.7654 -11.7654 -11.4981 -11.4981 -11.1981 -11.1981 -9.6833 -9.6833 -9.4289 -9.4289 -9.4211 -9.4211 -9.0217 -9.0217 -7.0662 -7.0662 -5.8802 -5.8802 -5.8294 -5.8294 -4.3135 -4.3135 -3.8357 -3.8357 -0.0572 -0.0572 0.0732 0.0732 0.4142 0.4142 0.4875 0.4875 0.6231 0.6231 0.7242 0.7242 6.0706 6.0706 6.4881 6.4881 7.1394 7.1394 8.3793 8.3793 k = 0.5703 0.1792 0.2629 ( 6858 PWs) bands (ev): -20.5552 -20.5552 -20.3579 -20.3579 -14.2443 -14.2443 -11.7812 -11.7812 -11.5032 -11.5032 -11.1906 -11.1906 -9.6774 -9.6774 -9.4267 -9.4267 -9.4187 -9.4187 -9.0213 -9.0213 -7.0768 -7.0768 -5.8756 -5.8756 -5.8245 -5.8245 -4.2956 -4.2956 -3.8489 -3.8489 -0.0712 -0.0712 0.0504 0.0504 0.4103 0.4103 0.4831 0.4831 0.6187 0.6187 0.7155 0.7155 6.1391 6.1391 6.5175 6.5175 7.1447 7.1447 8.3876 8.3876 k = 0.5750 0.1807 0.2874 ( 6856 PWs) bands (ev): -20.5548 -20.5548 -20.3575 -20.3575 -14.2408 -14.2408 -11.7969 -11.7969 -11.5082 -11.5082 -11.1836 -11.1836 -9.6714 -9.6714 -9.4246 -9.4246 -9.4162 -9.4162 -9.0209 -9.0209 -7.0873 -7.0873 -5.8712 -5.8712 -5.8194 -5.8194 -4.2775 -4.2775 -3.8623 -3.8623 -0.0862 -0.0862 0.0272 0.0272 0.4069 0.4069 0.4780 0.4780 0.6159 0.6159 0.7069 0.7069 6.2093 6.2093 6.5442 6.5442 7.1531 7.1531 8.3793 8.3793 k = 0.5796 0.1822 0.3119 ( 6854 PWs) bands (ev): -20.5545 -20.5545 -20.3571 -20.3571 -14.2374 -14.2374 -11.8124 -11.8124 -11.5129 -11.5129 -11.1772 -11.1772 -9.6654 -9.6654 -9.4224 -9.4224 -9.4137 -9.4137 -9.0205 -9.0205 -7.0977 -7.0977 -5.8670 -5.8670 -5.8143 -5.8143 -4.2594 -4.2594 -3.8757 -3.8757 -0.1018 -0.1018 0.0037 0.0037 0.4042 0.4042 0.4721 0.4721 0.6146 0.6146 0.6984 0.6984 6.2807 6.2807 6.5677 6.5677 7.1646 7.1646 8.3617 8.3617 k = 0.5843 0.1837 0.3365 ( 6849 PWs) bands (ev): -20.5541 -20.5541 -20.3567 -20.3567 -14.2339 -14.2339 -11.8275 -11.8275 -11.5174 -11.5174 -11.1712 -11.1712 -9.6594 -9.6594 -9.4203 -9.4203 -9.4111 -9.4111 -9.0201 -9.0201 -7.1077 -7.1077 -5.8630 -5.8630 -5.8091 -5.8091 -4.2413 -4.2413 -3.8892 -3.8892 -0.1178 -0.1178 -0.0200 -0.0200 0.4023 0.4023 0.4654 0.4654 0.6149 0.6149 0.6900 0.6900 6.3527 6.3527 6.5881 6.5881 7.1791 7.1791 8.3386 8.3386 k = 0.5890 0.1851 0.3610 ( 6850 PWs) bands (ev): -20.5537 -20.5537 -20.3563 -20.3563 -14.2305 -14.2305 -11.8423 -11.8423 -11.5216 -11.5216 -11.1657 -11.1657 -9.6535 -9.6535 -9.4183 -9.4183 -9.4084 -9.4084 -9.0198 -9.0198 -7.1174 -7.1174 -5.8592 -5.8592 -5.8040 -5.8040 -4.2236 -4.2236 -3.9024 -3.9024 -0.1339 -0.1339 -0.0436 -0.0436 0.4012 0.4012 0.4579 0.4579 0.6167 0.6167 0.6816 0.6816 6.4244 6.4244 6.6061 6.6061 7.1963 7.1963 8.3119 8.3119 k = 0.5937 0.1866 0.3855 ( 6856 PWs) bands (ev): -20.5533 -20.5533 -20.3559 -20.3559 -14.2271 -14.2271 -11.8564 -11.8564 -11.5256 -11.5256 -11.1608 -11.1608 -9.6478 -9.6478 -9.4164 -9.4164 -9.4058 -9.4058 -9.0194 -9.0194 -7.1267 -7.1267 -5.8556 -5.8556 -5.7989 -5.7989 -4.2064 -4.2064 -3.9154 -3.9154 -0.1500 -0.1500 -0.0669 -0.0669 0.4008 0.4008 0.4498 0.4498 0.6198 0.6198 0.6734 0.6734 6.4938 6.4938 6.6234 6.6234 7.2155 7.2155 8.2827 8.2827 k = 0.5984 0.1881 0.4100 ( 6856 PWs) bands (ev): -20.5530 -20.5530 -20.3556 -20.3556 -14.2238 -14.2238 -11.8700 -11.8700 -11.5293 -11.5293 -11.1563 -11.1563 -9.6422 -9.6422 -9.4145 -9.4145 -9.4033 -9.4033 -9.0191 -9.0191 -7.1354 -7.1354 -5.8523 -5.8523 -5.7939 -5.7939 -4.1897 -4.1897 -3.9280 -3.9280 -0.1656 -0.1656 -0.0898 -0.0898 0.4012 0.4012 0.4413 0.4413 0.6240 0.6240 0.6654 0.6654 6.5560 6.5560 6.6451 6.6451 7.2361 7.2361 8.2516 8.2516 k = 0.6031 0.1895 0.4346 ( 6860 PWs) bands (ev): -20.5526 -20.5526 -20.3552 -20.3552 -14.2207 -14.2207 -11.8829 -11.8829 -11.5327 -11.5327 -11.1523 -11.1523 -9.6368 -9.6368 -9.4127 -9.4127 -9.4009 -9.4009 -9.0188 -9.0188 -7.1437 -7.1437 -5.8492 -5.8492 -5.7890 -5.7890 -4.1738 -4.1738 -3.9401 -3.9401 -0.1806 -0.1806 -0.1120 -0.1120 0.4021 0.4021 0.4327 0.4327 0.6288 0.6288 0.6578 0.6578 6.5985 6.5985 6.6834 6.6834 7.2575 7.2575 8.2192 8.2192 k = 0.6077 0.1910 0.4591 ( 6856 PWs) bands (ev): -20.5523 -20.5523 -20.3548 -20.3548 -14.2177 -14.2177 -11.8950 -11.8950 -11.5357 -11.5357 -11.1487 -11.1487 -9.6318 -9.6318 -9.4110 -9.4110 -9.3985 -9.3985 -9.0186 -9.0186 -7.1513 -7.1513 -5.8464 -5.8464 -5.7844 -5.7844 -4.1589 -4.1589 -3.9516 -3.9516 -0.1949 -0.1949 -0.1333 -0.1333 0.4034 0.4034 0.4242 0.4242 0.6331 0.6331 0.6517 0.6517 6.6192 6.6192 6.7405 6.7405 7.2792 7.2792 8.1859 8.1859 k = 0.6124 0.1925 0.4836 ( 6856 PWs) bands (ev): -20.5521 -20.5521 -20.3545 -20.3545 -14.2149 -14.2149 -11.9062 -11.9062 -11.5384 -11.5384 -11.1456 -11.1456 -9.6270 -9.6270 -9.4094 -9.4094 -9.3964 -9.3964 -9.0183 -9.0183 -7.1583 -7.1583 -5.8439 -5.8439 -5.7801 -5.7801 -4.1449 -4.1449 -3.9623 -3.9623 -0.2081 -0.2081 -0.1535 -0.1535 0.4040 0.4040 0.4168 0.4168 0.6336 0.6336 0.6502 0.6502 6.6306 6.6306 6.8034 6.8034 7.3011 7.3011 8.1517 8.1517 k = 0.6171 0.1940 0.5081 ( 6853 PWs) bands (ev): -20.5518 -20.5518 -20.3541 -20.3541 -14.2123 -14.2123 -11.9165 -11.9165 -11.5408 -11.5408 -11.1429 -11.1429 -9.6226 -9.6226 -9.4079 -9.4079 -9.3944 -9.3944 -9.0182 -9.0182 -7.1647 -7.1647 -5.8417 -5.8417 -5.7760 -5.7760 -4.1322 -4.1322 -3.9721 -3.9721 -0.2201 -0.2201 -0.1724 -0.1724 0.4009 0.4009 0.4137 0.4137 0.6286 0.6286 0.6550 0.6550 6.6390 6.6390 6.8652 6.8652 7.3232 7.3232 8.1169 8.1169 k = 0.6218 0.1954 0.5327 ( 6843 PWs) bands (ev): -20.5516 -20.5516 -20.3538 -20.3538 -14.2099 -14.2099 -11.9258 -11.9258 -11.5428 -11.5428 -11.1406 -11.1406 -9.6186 -9.6186 -9.4066 -9.4066 -9.3925 -9.3925 -9.0180 -9.0180 -7.1703 -7.1703 -5.8396 -5.8396 -5.7723 -5.7723 -4.1207 -4.1207 -3.9811 -3.9811 -0.2309 -0.2309 -0.1899 -0.1899 0.3939 0.3939 0.4150 0.4150 0.6218 0.6218 0.6622 0.6622 6.6465 6.6465 6.9227 6.9227 7.3464 7.3464 8.0812 8.0812 k = 0.6265 0.1969 0.5572 ( 6847 PWs) bands (ev): -20.5515 -20.5515 -20.3535 -20.3535 -14.2079 -14.2079 -11.9341 -11.9341 -11.5443 -11.5443 -11.1387 -11.1387 -9.6151 -9.6151 -9.4054 -9.4054 -9.3909 -9.3909 -9.0179 -9.0179 -7.1752 -7.1752 -5.8379 -5.8379 -5.7690 -5.7690 -4.1106 -4.1106 -3.9890 -3.9890 -0.2403 -0.2403 -0.2057 -0.2057 0.3858 0.3858 0.4178 0.4178 0.6146 0.6146 0.6704 0.6704 6.6539 6.6539 6.9737 6.9737 7.3715 7.3715 8.0445 8.0445 k = 0.6312 0.1984 0.5817 ( 6858 PWs) bands (ev): -20.5514 -20.5514 -20.3532 -20.3532 -14.2061 -14.2061 -11.9413 -11.9413 -11.5455 -11.5455 -11.1372 -11.1372 -9.6120 -9.6120 -9.4043 -9.4043 -9.3896 -9.3896 -9.0179 -9.0179 -7.1794 -7.1794 -5.8364 -5.8364 -5.7661 -5.7661 -4.1020 -4.1020 -3.9958 -3.9958 -0.2484 -0.2484 -0.2196 -0.2196 0.3778 0.3778 0.4212 0.4212 0.6076 0.6076 0.6791 0.6791 6.6619 6.6619 7.0162 7.0162 7.3998 7.3998 8.0063 8.0063 k = 0.6359 0.1998 0.6062 ( 6857 PWs) bands (ev): -20.5513 -20.5513 -20.3530 -20.3530 -14.2046 -14.2046 -11.9474 -11.9474 -11.5463 -11.5463 -11.1361 -11.1361 -9.6095 -9.6095 -9.4034 -9.4034 -9.3884 -9.3884 -9.0179 -9.0179 -7.1828 -7.1828 -5.8351 -5.8351 -5.7637 -5.7637 -4.0949 -4.0949 -4.0015 -4.0015 -0.2552 -0.2552 -0.2314 -0.2314 0.3699 0.3699 0.4247 0.4247 0.6008 0.6008 0.6881 0.6881 6.6707 6.6707 7.0487 7.0487 7.4323 7.4323 7.9665 7.9665 k = 0.6405 0.2013 0.6308 ( 6859 PWs) bands (ev): -20.5513 -20.5513 -20.3527 -20.3527 -14.2034 -14.2034 -11.9524 -11.9524 -11.5466 -11.5466 -11.1353 -11.1353 -9.6074 -9.6074 -9.4026 -9.4026 -9.3876 -9.3876 -9.0180 -9.0180 -7.1854 -7.1854 -5.8341 -5.8341 -5.7618 -5.7618 -4.0894 -4.0894 -4.0059 -4.0059 -0.2609 -0.2609 -0.2407 -0.2407 0.3625 0.3625 0.4284 0.4284 0.5944 0.5944 0.6972 0.6972 6.6805 6.6805 7.0705 7.0705 7.4692 7.4692 7.9246 7.9246 k = 0.6405 0.2013 0.6308 ( 6859 PWs) bands (ev): -20.5513 -20.5513 -20.3527 -20.3527 -14.2034 -14.2034 -11.9524 -11.9524 -11.5466 -11.5466 -11.1353 -11.1353 -9.6074 -9.6074 -9.4026 -9.4026 -9.3876 -9.3876 -9.0180 -9.0180 -7.1854 -7.1854 -5.8341 -5.8341 -5.7618 -5.7618 -4.0894 -4.0894 -4.0059 -4.0059 -0.2609 -0.2609 -0.2407 -0.2407 0.3625 0.3625 0.4284 0.4284 0.5944 0.5944 0.6972 0.6972 6.6805 6.6805 7.0705 7.0705 7.4692 7.4692 7.9246 7.9246 k = 0.6230 0.1958 0.6439 ( 6857 PWs) bands (ev): -20.5511 -20.5511 -20.3528 -20.3528 -14.2029 -14.2029 -11.9576 -11.9576 -11.5473 -11.5473 -11.1290 -11.1290 -9.6042 -9.6042 -9.4031 -9.4031 -9.3909 -9.3909 -9.0175 -9.0175 -7.1876 -7.1876 -5.8343 -5.8343 -5.7616 -5.7616 -4.0876 -4.0876 -4.0068 -4.0068 -0.2623 -0.2623 -0.2476 -0.2476 0.3636 0.3636 0.4290 0.4290 0.5963 0.5963 0.7022 0.7022 6.6907 6.6907 7.0387 7.0387 7.4986 7.4986 7.9121 7.9121 k = 0.6054 0.1903 0.6570 ( 6853 PWs) bands (ev): -20.5510 -20.5510 -20.3528 -20.3528 -14.2024 -14.2024 -11.9623 -11.9623 -11.5477 -11.5477 -11.1235 -11.1235 -9.6012 -9.6012 -9.4037 -9.4037 -9.3938 -9.3938 -9.0171 -9.0171 -7.1895 -7.1895 -5.8345 -5.8345 -5.7615 -5.7615 -4.0861 -4.0861 -4.0075 -4.0075 -0.2640 -0.2640 -0.2534 -0.2534 0.3639 0.3639 0.4301 0.4301 0.5974 0.5974 0.7076 0.7076 6.7028 6.7028 7.0053 7.0053 7.5293 7.5293 7.8977 7.8977 k = 0.5878 0.1848 0.6701 ( 6850 PWs) bands (ev): -20.5509 -20.5509 -20.3529 -20.3529 -14.2019 -14.2019 -11.9664 -11.9664 -11.5481 -11.5481 -11.1187 -11.1187 -9.5985 -9.5985 -9.4045 -9.4045 -9.3962 -9.3962 -9.0167 -9.0167 -7.1912 -7.1912 -5.8347 -5.8347 -5.7613 -5.7613 -4.0848 -4.0848 -4.0081 -4.0081 -0.2662 -0.2662 -0.2577 -0.2577 0.3639 0.3639 0.4314 0.4314 0.5979 0.5979 0.7128 0.7128 6.7170 6.7170 6.9717 6.9717 7.5601 7.5601 7.8817 7.8817 k = 0.5703 0.1792 0.6832 ( 6846 PWs) bands (ev): -20.5509 -20.5509 -20.3529 -20.3529 -14.2016 -14.2016 -11.9697 -11.9697 -11.5483 -11.5483 -11.1147 -11.1147 -9.5962 -9.5962 -9.4056 -9.4056 -9.3980 -9.3980 -9.0164 -9.0164 -7.1925 -7.1925 -5.8348 -5.8348 -5.7612 -5.7612 -4.0837 -4.0837 -4.0086 -4.0086 -0.2691 -0.2691 -0.2602 -0.2602 0.3636 0.3636 0.4328 0.4328 0.5981 0.5981 0.7176 0.7176 6.7333 6.7333 6.9386 6.9386 7.5898 7.5898 7.8644 7.8644 k = 0.5527 0.1737 0.6963 ( 6850 PWs) bands (ev): -20.5508 -20.5508 -20.3529 -20.3529 -14.2013 -14.2013 -11.9724 -11.9724 -11.5485 -11.5485 -11.1116 -11.1116 -9.5943 -9.5943 -9.4068 -9.4068 -9.3991 -9.3991 -9.0161 -9.0161 -7.1936 -7.1936 -5.8349 -5.8349 -5.7612 -5.7612 -4.0829 -4.0829 -4.0090 -4.0090 -0.2720 -0.2720 -0.2617 -0.2617 0.3632 0.3632 0.4340 0.4340 0.5980 0.5980 0.7216 0.7216 6.7517 6.7517 6.9065 6.9065 7.6174 7.6174 7.8467 7.8467 k = 0.5351 0.1682 0.7095 ( 6845 PWs) bands (ev): -20.5508 -20.5508 -20.3529 -20.3529 -14.2011 -14.2011 -11.9743 -11.9743 -11.5486 -11.5486 -11.1094 -11.1094 -9.5928 -9.5928 -9.4078 -9.4078 -9.3997 -9.3997 -9.0160 -9.0160 -7.1944 -7.1944 -5.8350 -5.8350 -5.7611 -5.7611 -4.0823 -4.0823 -4.0092 -4.0092 -0.2743 -0.2743 -0.2624 -0.2624 0.3628 0.3628 0.4349 0.4349 0.5979 0.5979 0.7246 0.7246 6.7722 6.7722 6.8760 6.8760 7.6411 7.6411 7.8302 7.8302 k = 0.5176 0.1627 0.7226 ( 6846 PWs) bands (ev): -20.5508 -20.5508 -20.3529 -20.3529 -14.2010 -14.2010 -11.9755 -11.9755 -11.5487 -11.5487 -11.1080 -11.1080 -9.5920 -9.5920 -9.4085 -9.4085 -9.4000 -9.4000 -9.0158 -9.0158 -7.1949 -7.1949 -5.8350 -5.8350 -5.7611 -5.7611 -4.0819 -4.0819 -4.0094 -4.0094 -0.2757 -0.2757 -0.2629 -0.2629 0.3625 0.3625 0.4356 0.4356 0.5978 0.5978 0.7265 0.7265 6.7946 6.7946 6.8474 6.8474 7.6581 7.6581 7.8175 7.8175 k = 0.5000 0.1572 0.7357 ( 6840 PWs) bands (ev): -20.5507 -20.5507 -20.3529 -20.3529 -14.2009 -14.2009 -11.9759 -11.9759 -11.5487 -11.5487 -11.1076 -11.1076 -9.5917 -9.5917 -9.4088 -9.4088 -9.4001 -9.4001 -9.0158 -9.0158 -7.1950 -7.1950 -5.8351 -5.8351 -5.7611 -5.7611 -4.0818 -4.0818 -4.0094 -4.0094 -0.2762 -0.2762 -0.2630 -0.2630 0.3625 0.3625 0.4358 0.4358 0.5978 0.5978 0.7272 0.7272 6.8148 6.8148 6.8251 6.8251 7.6644 7.6644 7.8126 7.8126 k = 0.5000 0.1572 0.7357 ( 6840 PWs) bands (ev): -20.5507 -20.5507 -20.3529 -20.3529 -14.2009 -14.2009 -11.9759 -11.9759 -11.5487 -11.5487 -11.1076 -11.1076 -9.5917 -9.5917 -9.4088 -9.4088 -9.4001 -9.4001 -9.0158 -9.0158 -7.1950 -7.1950 -5.8351 -5.8351 -5.7611 -5.7611 -4.0818 -4.0818 -4.0094 -4.0094 -0.2762 -0.2762 -0.2630 -0.2630 0.3625 0.3625 0.4358 0.4358 0.5978 0.5978 0.7272 0.7272 6.8148 6.8148 6.8251 6.8251 7.6644 7.6644 7.8126 7.8126 k = 0.5075 0.1333 0.7357 ( 6850 PWs) bands (ev): -20.5507 -20.5507 -20.3529 -20.3529 -14.2009 -14.2009 -11.9755 -11.9755 -11.5484 -11.5484 -11.1080 -11.1080 -9.5921 -9.5921 -9.4089 -9.4089 -9.4002 -9.4002 -9.0160 -9.0160 -7.1950 -7.1950 -5.8351 -5.8351 -5.7613 -5.7613 -4.0817 -4.0817 -4.0096 -4.0096 -0.2758 -0.2758 -0.2624 -0.2624 0.3617 0.3617 0.4358 0.4358 0.5977 0.5977 0.7271 0.7271 6.8172 6.8172 6.8275 6.8275 7.6665 7.6665 7.8125 7.8125 k = 0.5150 0.1094 0.7357 ( 6854 PWs) bands (ev): -20.5507 -20.5507 -20.3529 -20.3529 -14.2008 -14.2008 -11.9743 -11.9743 -11.5477 -11.5477 -11.1091 -11.1091 -9.5934 -9.5934 -9.4094 -9.4094 -9.4006 -9.4006 -9.0164 -9.0164 -7.1947 -7.1947 -5.8350 -5.8350 -5.7618 -5.7618 -4.0815 -4.0815 -4.0103 -4.0103 -0.2744 -0.2744 -0.2607 -0.2607 0.3596 0.3596 0.4360 0.4360 0.5973 0.5973 0.7269 0.7269 6.8243 6.8243 6.8346 6.8346 7.6729 7.6729 7.8122 7.8122 k = 0.5225 0.0855 0.7357 ( 6860 PWs) bands (ev): -20.5507 -20.5507 -20.3528 -20.3528 -14.2007 -14.2007 -11.9723 -11.9723 -11.5466 -11.5466 -11.1109 -11.1109 -9.5955 -9.5955 -9.4101 -9.4101 -9.4012 -9.4012 -9.0171 -9.0171 -7.1943 -7.1943 -5.8350 -5.8350 -5.7627 -5.7627 -4.0811 -4.0811 -4.0113 -4.0113 -0.2721 -0.2721 -0.2578 -0.2578 0.3561 0.3561 0.4361 0.4361 0.5968 0.5968 0.7266 0.7266 6.8362 6.8362 6.8463 6.8463 7.6833 7.6833 7.8117 7.8117 k = 0.5300 0.0616 0.7357 ( 6860 PWs) bands (ev): -20.5506 -20.5506 -20.3527 -20.3527 -14.2005 -14.2005 -11.9695 -11.9695 -11.5449 -11.5449 -11.1135 -11.1135 -9.5984 -9.5984 -9.4111 -9.4111 -9.4020 -9.4020 -9.0181 -9.0181 -7.1938 -7.1938 -5.8349 -5.8349 -5.7639 -5.7639 -4.0805 -4.0805 -4.0127 -4.0127 -0.2689 -0.2689 -0.2538 -0.2538 0.3514 0.3514 0.4362 0.4362 0.5961 0.5961 0.7261 0.7261 6.8527 6.8527 6.8625 6.8625 7.6978 7.6978 7.8111 7.8111 k = 0.5375 0.0378 0.7357 ( 6860 PWs) bands (ev): -20.5505 -20.5505 -20.3526 -20.3526 -14.2002 -14.2002 -11.9659 -11.9659 -11.5429 -11.5429 -11.1168 -11.1168 -9.6021 -9.6021 -9.4123 -9.4123 -9.4030 -9.4030 -9.0193 -9.0193 -7.1931 -7.1931 -5.8348 -5.8348 -5.7655 -5.7655 -4.0798 -4.0798 -4.0145 -4.0145 -0.2649 -0.2649 -0.2488 -0.2488 0.3457 0.3457 0.4361 0.4361 0.5954 0.5954 0.7255 0.7255 6.8735 6.8735 6.8831 6.8831 7.7161 7.7161 7.8104 7.8104 k = 0.5450 0.0139 0.7357 ( 6848 PWs) bands (ev): -20.5503 -20.5503 -20.3524 -20.3524 -14.1999 -14.1999 -11.9615 -11.9615 -11.5404 -11.5404 -11.1209 -11.1209 -9.6065 -9.6065 -9.4139 -9.4139 -9.4043 -9.4043 -9.0208 -9.0208 -7.1922 -7.1922 -5.8347 -5.8347 -5.7673 -5.7673 -4.0789 -4.0789 -4.0167 -4.0167 -0.2601 -0.2601 -0.2427 -0.2427 0.3391 0.3391 0.4357 0.4357 0.5946 0.5946 0.7248 0.7248 6.8985 6.8985 6.9082 6.9082 7.7380 7.7380 7.8100 7.8100 k = 0.5525-0.0100 0.7357 ( 6842 PWs) bands (ev): -20.5502 -20.5502 -20.3522 -20.3522 -14.1995 -14.1995 -11.9564 -11.9564 -11.5374 -11.5374 -11.1256 -11.1256 -9.6116 -9.6116 -9.4157 -9.4157 -9.4058 -9.4058 -9.0226 -9.0226 -7.1912 -7.1912 -5.8345 -5.8345 -5.7695 -5.7695 -4.0779 -4.0779 -4.0192 -4.0192 -0.2546 -0.2546 -0.2358 -0.2358 0.3318 0.3318 0.4350 0.4350 0.5938 0.5938 0.7241 0.7241 6.9267 6.9267 6.9378 6.9378 7.7630 7.7630 7.8102 7.8102 k = 0.5600-0.0339 0.7357 ( 6840 PWs) bands (ev): -20.5500 -20.5500 -20.3520 -20.3520 -14.1991 -14.1991 -11.9505 -11.9505 -11.5341 -11.5341 -11.1311 -11.1311 -9.6173 -9.6173 -9.4177 -9.4177 -9.4075 -9.4075 -9.0246 -9.0246 -7.1901 -7.1901 -5.8344 -5.8344 -5.7719 -5.7719 -4.0768 -4.0768 -4.0220 -4.0220 -0.2485 -0.2485 -0.2281 -0.2281 0.3239 0.3239 0.4339 0.4339 0.5932 0.5932 0.7232 0.7232 6.9575 6.9575 6.9723 6.9723 7.7900 7.7900 7.8121 7.8121 k = 0.5675-0.0578 0.7357 ( 6842 PWs) bands (ev): -20.5498 -20.5498 -20.3518 -20.3518 -14.1987 -14.1987 -11.9439 -11.9439 -11.5304 -11.5304 -11.1373 -11.1373 -9.6236 -9.6236 -9.4199 -9.4199 -9.4094 -9.4094 -9.0268 -9.0268 -7.1888 -7.1888 -5.8343 -5.8343 -5.7745 -5.7745 -4.0755 -4.0755 -4.0252 -4.0252 -0.2419 -0.2419 -0.2196 -0.2196 0.3156 0.3156 0.4324 0.4324 0.5926 0.5926 0.7222 0.7222 6.9901 6.9901 7.0115 7.0115 7.8077 7.8077 7.8270 7.8270 k = 0.5751-0.0816 0.7357 ( 6832 PWs) bands (ev): -20.5496 -20.5496 -20.3516 -20.3516 -14.1982 -14.1982 -11.9365 -11.9365 -11.5264 -11.5264 -11.1443 -11.1443 -9.6304 -9.6304 -9.4224 -9.4224 -9.4115 -9.4115 -9.0292 -9.0292 -7.1875 -7.1875 -5.8341 -5.8341 -5.7774 -5.7774 -4.0742 -4.0742 -4.0285 -4.0285 -0.2348 -0.2348 -0.2105 -0.2105 0.3071 0.3071 0.4306 0.4306 0.5922 0.5922 0.7212 0.7212 7.0238 7.0238 7.0553 7.0553 7.8127 7.8127 7.8583 7.8583 k = 0.5826-0.1055 0.7357 ( 6838 PWs) bands (ev): -20.5494 -20.5494 -20.3513 -20.3513 -14.1977 -14.1977 -11.9285 -11.9285 -11.5220 -11.5220 -11.1519 -11.1519 -9.6377 -9.6377 -9.4250 -9.4250 -9.4138 -9.4138 -9.0318 -9.0318 -7.1860 -7.1860 -5.8340 -5.8340 -5.7804 -5.7804 -4.0728 -4.0728 -4.0322 -4.0322 -0.2274 -0.2274 -0.2010 -0.2010 0.2985 0.2985 0.4285 0.4285 0.5920 0.5920 0.7200 0.7200 7.0578 7.0578 7.1034 7.1034 7.8184 7.8184 7.8929 7.8929 k = 0.5901-0.1294 0.7357 ( 6838 PWs) bands (ev): -20.5491 -20.5491 -20.3511 -20.3511 -14.1971 -14.1971 -11.9198 -11.9198 -11.5173 -11.5173 -11.1602 -11.1602 -9.6453 -9.6453 -9.4277 -9.4277 -9.4163 -9.4163 -9.0345 -9.0345 -7.1844 -7.1844 -5.8339 -5.8339 -5.7835 -5.7835 -4.0713 -4.0713 -4.0361 -4.0361 -0.2197 -0.2197 -0.1912 -0.1912 0.2901 0.2901 0.4262 0.4262 0.5918 0.5918 0.7188 0.7188 7.0912 7.0912 7.1556 7.1556 7.8268 7.8268 7.9287 7.9287 k = 0.5976-0.1533 0.7357 ( 6858 PWs) bands (ev): -20.5489 -20.5489 -20.3508 -20.3508 -14.1966 -14.1966 -11.9104 -11.9104 -11.5124 -11.5124 -11.1691 -11.1691 -9.6533 -9.6533 -9.4305 -9.4305 -9.4190 -9.4190 -9.0374 -9.0374 -7.1827 -7.1827 -5.8338 -5.8338 -5.7867 -5.7867 -4.0698 -4.0698 -4.0401 -4.0401 -0.2120 -0.2120 -0.1813 -0.1813 0.2821 0.2821 0.4238 0.4238 0.5918 0.5918 0.7174 0.7174 7.1229 7.1229 7.2116 7.2116 7.8391 7.8391 7.9649 7.9649 k = 0.6051-0.1772 0.7357 ( 6864 PWs) bands (ev): -20.5486 -20.5486 -20.3505 -20.3505 -14.1960 -14.1960 -11.9004 -11.9004 -11.5073 -11.5073 -11.1788 -11.1788 -9.6615 -9.6615 -9.4334 -9.4334 -9.4218 -9.4218 -9.0404 -9.0404 -7.1810 -7.1810 -5.8339 -5.8339 -5.7900 -5.7900 -4.0683 -4.0683 -4.0442 -4.0442 -0.2043 -0.2043 -0.1715 -0.1715 0.2746 0.2746 0.4215 0.4215 0.5919 0.5919 0.7160 0.7160 7.1517 7.1517 7.2712 7.2712 7.8562 7.8562 8.0007 8.0007 k = 0.6126-0.2010 0.7357 ( 6862 PWs) bands (ev): -20.5484 -20.5484 -20.3502 -20.3502 -14.1954 -14.1954 -11.8898 -11.8898 -11.5019 -11.5019 -11.1890 -11.1890 -9.6699 -9.6699 -9.4363 -9.4363 -9.4247 -9.4247 -9.0435 -9.0435 -7.1792 -7.1792 -5.8339 -5.8339 -5.7932 -5.7932 -4.0668 -4.0668 -4.0484 -4.0484 -0.1966 -0.1966 -0.1618 -0.1618 0.2679 0.2679 0.4193 0.4193 0.5919 0.5919 0.7144 0.7144 7.1765 7.1765 7.3341 7.3341 7.8790 7.8790 8.0349 8.0349 k = 0.6201-0.2249 0.7357 ( 6870 PWs) bands (ev): -20.5481 -20.5481 -20.3499 -20.3499 -14.1948 -14.1948 -11.8787 -11.8787 -11.4964 -11.4964 -11.1999 -11.1999 -9.6784 -9.6784 -9.4393 -9.4393 -9.4277 -9.4277 -9.0466 -9.0466 -7.1773 -7.1773 -5.8341 -5.8341 -5.7964 -5.7964 -4.0654 -4.0654 -4.0526 -4.0526 -0.1893 -0.1893 -0.1526 -0.1526 0.2621 0.2621 0.4173 0.4173 0.5920 0.5920 0.7127 0.7127 7.1965 7.1965 7.3999 7.3999 7.9082 7.9082 8.0666 8.0666 k = 0.6276-0.2488 0.7357 ( 6876 PWs) bands (ev): -20.5479 -20.5479 -20.3495 -20.3495 -14.1942 -14.1942 -11.8671 -11.8671 -11.4909 -11.4909 -11.2114 -11.2114 -9.6869 -9.6869 -9.4421 -9.4421 -9.4308 -9.4308 -9.0498 -9.0498 -7.1754 -7.1754 -5.8344 -5.8344 -5.7995 -5.7995 -4.0643 -4.0643 -4.0565 -4.0565 -0.1822 -0.1822 -0.1440 -0.1440 0.2575 0.2575 0.4156 0.4156 0.5919 0.5919 0.7108 0.7108 7.2114 7.2114 7.4683 7.4683 7.9439 7.9439 8.0947 8.0947 k = 0.6351-0.2727 0.7357 ( 6878 PWs) bands (ev): -20.5476 -20.5476 -20.3492 -20.3492 -14.1936 -14.1936 -11.8549 -11.8549 -11.4852 -11.4852 -11.2235 -11.2235 -9.6954 -9.6954 -9.4450 -9.4450 -9.4340 -9.4340 -9.0529 -9.0529 -7.1735 -7.1735 -5.8348 -5.8348 -5.8024 -5.8024 -4.0646 -4.0646 -4.0590 -4.0590 -0.1756 -0.1756 -0.1362 -0.1362 0.2543 0.2543 0.4144 0.4144 0.5917 0.5917 0.7088 0.7088 7.2210 7.2210 7.5388 7.5388 7.9859 7.9859 8.1183 8.1183 k = 0.6426-0.2966 0.7357 ( 6876 PWs) bands (ev): -20.5474 -20.5474 -20.3489 -20.3489 -14.1930 -14.1930 -11.8423 -11.8423 -11.4795 -11.4795 -11.2360 -11.2360 -9.7038 -9.7038 -9.4477 -9.4477 -9.4371 -9.4371 -9.0561 -9.0561 -7.1715 -7.1715 -5.8354 -5.8354 -5.8050 -5.8050 -4.0676 -4.0676 -4.0589 -4.0589 -0.1695 -0.1695 -0.1292 -0.1292 0.2525 0.2525 0.4135 0.4135 0.5913 0.5913 0.7066 0.7066 7.2257 7.2257 7.6107 7.6107 8.0335 8.0335 8.1367 8.1367 k = 0.6501-0.3204 0.7357 ( 6872 PWs) bands (ev): -20.5471 -20.5471 -20.3486 -20.3486 -14.1925 -14.1925 -11.8293 -11.8293 -11.4739 -11.4739 -11.2491 -11.2491 -9.7120 -9.7120 -9.4503 -9.4503 -9.4402 -9.4402 -9.0592 -9.0592 -7.1696 -7.1696 -5.8361 -5.8361 -5.8074 -5.8074 -4.0714 -4.0714 -4.0578 -4.0578 -0.1639 -0.1639 -0.1231 -0.1231 0.2523 0.2523 0.4130 0.4130 0.5906 0.5906 0.7042 0.7042 7.2262 7.2262 7.6830 7.6830 8.0856 8.0856 8.1499 8.1499 k = 0.6576-0.3443 0.7357 ( 6870 PWs) bands (ev): -20.5469 -20.5469 -20.3483 -20.3483 -14.1919 -14.1919 -11.8160 -11.8160 -11.4683 -11.4683 -11.2627 -11.2627 -9.7200 -9.7200 -9.4527 -9.4527 -9.4432 -9.4432 -9.0622 -9.0622 -7.1677 -7.1677 -5.8371 -5.8371 -5.8094 -5.8094 -4.0755 -4.0755 -4.0565 -4.0565 -0.1589 -0.1589 -0.1180 -0.1180 0.2536 0.2536 0.4130 0.4130 0.5897 0.5897 0.7016 0.7016 7.2231 7.2231 7.7543 7.7543 8.1405 8.1405 8.1589 8.1589 k = 0.6651-0.3682 0.7357 ( 6882 PWs) bands (ev): -20.5467 -20.5467 -20.3480 -20.3480 -14.1914 -14.1914 -11.8023 -11.8023 -11.4628 -11.4628 -11.2766 -11.2766 -9.7278 -9.7278 -9.4550 -9.4550 -9.4461 -9.4461 -9.0651 -9.0651 -7.1658 -7.1658 -5.8383 -5.8383 -5.8111 -5.8111 -4.0794 -4.0794 -4.0553 -4.0553 -0.1544 -0.1544 -0.1139 -0.1139 0.2564 0.2564 0.4133 0.4133 0.5885 0.5885 0.6988 0.6988 7.2173 7.2173 7.8225 7.8225 8.1646 8.1646 8.1972 8.1972 k = 0.6726-0.3921 0.7357 ( 6884 PWs) bands (ev): -20.5465 -20.5465 -20.3477 -20.3477 -14.1909 -14.1909 -11.7885 -11.7885 -11.4575 -11.4575 -11.2909 -11.2909 -9.7351 -9.7351 -9.4572 -9.4572 -9.4489 -9.4489 -9.0679 -9.0679 -7.1639 -7.1639 -5.8396 -5.8396 -5.8125 -5.8125 -4.0833 -4.0833 -4.0541 -4.0541 -0.1505 -0.1505 -0.1107 -0.1107 0.2606 0.2606 0.4138 0.4138 0.5870 0.5870 0.6959 0.6959 7.2094 7.2094 7.8839 7.8839 8.1724 8.1724 8.2512 8.2512 k = 0.6801-0.4160 0.7357 ( 6890 PWs) bands (ev): -20.5463 -20.5463 -20.3474 -20.3474 -14.1905 -14.1905 -11.7744 -11.7744 -11.4524 -11.4524 -11.3055 -11.3055 -9.7421 -9.7421 -9.4591 -9.4591 -9.4514 -9.4514 -9.0705 -9.0705 -7.1622 -7.1622 -5.8410 -5.8410 -5.8135 -5.8135 -4.0869 -4.0869 -4.0529 -4.0529 -0.1472 -0.1472 -0.1083 -0.1083 0.2660 0.2660 0.4145 0.4145 0.5851 0.5851 0.6928 0.6928 7.2002 7.2002 7.9330 7.9330 8.1867 8.1867 8.2987 8.2987 k = 0.6876-0.4398 0.7357 ( 6890 PWs) bands (ev): -20.5462 -20.5462 -20.3471 -20.3471 -14.1901 -14.1901 -11.7603 -11.7603 -11.4476 -11.4476 -11.3203 -11.3203 -9.7486 -9.7486 -9.4609 -9.4609 -9.4536 -9.4536 -9.0729 -9.0729 -7.1604 -7.1604 -5.8424 -5.8424 -5.8143 -5.8143 -4.0903 -4.0903 -4.0519 -4.0519 -0.1442 -0.1442 -0.1065 -0.1065 0.2724 0.2724 0.4153 0.4153 0.5829 0.5829 0.6896 0.6896 7.1902 7.1902 7.9645 7.9645 8.2123 8.2123 8.3333 8.3333 k = 0.6951-0.4637 0.7357 ( 6878 PWs) bands (ev): -20.5460 -20.5460 -20.3469 -20.3469 -14.1897 -14.1897 -11.7462 -11.7462 -11.4430 -11.4430 -11.3353 -11.3353 -9.7546 -9.7546 -9.4625 -9.4625 -9.4555 -9.4555 -9.0752 -9.0752 -7.1588 -7.1588 -5.8438 -5.8438 -5.8148 -5.8148 -4.0935 -4.0935 -4.0509 -4.0509 -0.1416 -0.1416 -0.1053 -0.1053 0.2796 0.2796 0.4159 0.4159 0.5803 0.5803 0.6864 0.6864 7.1799 7.1799 7.9781 7.9781 8.2481 8.2481 8.3497 8.3497 k = 0.7026-0.4876 0.7357 ( 6872 PWs) bands (ev): -20.5459 -20.5459 -20.3466 -20.3466 -14.1894 -14.1894 -11.7322 -11.7322 -11.4388 -11.4388 -11.3503 -11.3503 -9.7601 -9.7601 -9.4639 -9.4639 -9.4570 -9.4570 -9.0772 -9.0772 -7.1572 -7.1572 -5.8451 -5.8451 -5.8152 -5.8152 -4.0964 -4.0964 -4.0501 -4.0501 -0.1393 -0.1393 -0.1045 -0.1045 0.2874 0.2874 0.4162 0.4162 0.5773 0.5773 0.6832 0.6832 7.1696 7.1696 7.9785 7.9785 8.2868 8.2868 8.3493 8.3493 k = 0.7102-0.5115 0.7357 ( 6868 PWs) bands (ev): -20.5458 -20.5458 -20.3464 -20.3464 -14.1891 -14.1891 -11.7184 -11.7184 -11.4349 -11.4349 -11.3652 -11.3652 -9.7650 -9.7650 -9.4652 -9.4652 -9.4581 -9.4581 -9.0790 -9.0790 -7.1557 -7.1557 -5.8463 -5.8463 -5.8154 -5.8154 -4.0989 -4.0989 -4.0494 -4.0494 -0.1371 -0.1371 -0.1041 -0.1041 0.2955 0.2955 0.4162 0.4162 0.5740 0.5740 0.6801 0.6801 7.1599 7.1599 7.9712 7.9712 8.3199 8.3199 8.3386 8.3386 k = 0.7177-0.5354 0.7357 ( 6860 PWs) bands (ev): -20.5458 -20.5458 -20.3462 -20.3462 -14.1889 -14.1889 -11.7050 -11.7050 -11.4314 -11.4314 -11.3799 -11.3799 -9.7692 -9.7692 -9.4663 -9.4663 -9.4587 -9.4587 -9.0805 -9.0805 -7.1544 -7.1544 -5.8472 -5.8472 -5.8155 -5.8155 -4.1011 -4.1011 -4.0488 -4.0488 -0.1350 -0.1350 -0.1039 -0.1039 0.3036 0.3036 0.4155 0.4155 0.5702 0.5702 0.6773 0.6773 7.1509 7.1509 7.9598 7.9598 8.3205 8.3205 8.3461 8.3461 k = 0.7252-0.5592 0.7357 ( 6862 PWs) bands (ev): -20.5457 -20.5457 -20.3461 -20.3461 -14.1888 -14.1888 -11.6922 -11.6922 -11.4284 -11.4284 -11.3942 -11.3942 -9.7728 -9.7728 -9.4672 -9.4672 -9.4589 -9.4589 -9.0818 -9.0818 -7.1532 -7.1532 -5.8480 -5.8480 -5.8156 -5.8156 -4.1030 -4.1030 -4.0484 -4.0484 -0.1328 -0.1328 -0.1038 -0.1038 0.3116 0.3116 0.4143 0.4143 0.5660 0.5660 0.6747 0.6747 7.1429 7.1429 7.9463 7.9463 8.3027 8.3027 8.3603 8.3603 k = 0.7327-0.5831 0.7357 ( 6860 PWs) bands (ev): -20.5457 -20.5457 -20.3459 -20.3459 -14.1887 -14.1887 -11.6802 -11.6802 -11.4258 -11.4258 -11.4077 -11.4077 -9.7757 -9.7757 -9.4679 -9.4679 -9.4587 -9.4587 -9.0828 -9.0828 -7.1521 -7.1521 -5.8485 -5.8485 -5.8155 -5.8155 -4.1045 -4.1045 -4.0482 -4.0482 -0.1304 -0.1304 -0.1038 -0.1038 0.3191 0.3191 0.4123 0.4123 0.5614 0.5614 0.6726 0.6726 7.1360 7.1360 7.9318 7.9318 8.2848 8.2848 8.3671 8.3671 k = 0.7402-0.6070 0.7357 ( 6862 PWs) bands (ev): -20.5457 -20.5457 -20.3458 -20.3458 -14.1887 -14.1887 -11.6693 -11.6693 -11.4237 -11.4237 -11.4203 -11.4203 -9.7779 -9.7779 -9.4683 -9.4683 -9.4580 -9.4580 -9.0835 -9.0835 -7.1511 -7.1511 -5.8487 -5.8487 -5.8154 -5.8154 -4.1056 -4.1056 -4.0480 -4.0480 -0.1279 -0.1279 -0.1038 -0.1038 0.3259 0.3259 0.4097 0.4097 0.5565 0.5565 0.6710 0.6710 7.1304 7.1304 7.9170 7.9170 8.2681 8.2681 8.3683 8.3683 k = 0.2598-0.8267 0.8406 ( 6862 PWs) bands (ev): -20.5457 -20.5457 -20.3458 -20.3458 -14.1887 -14.1887 -11.6693 -11.6693 -11.4237 -11.4237 -11.4203 -11.4203 -9.7779 -9.7779 -9.4683 -9.4683 -9.4580 -9.4580 -9.0835 -9.0835 -7.1511 -7.1511 -5.8487 -5.8487 -5.8154 -5.8154 -4.1056 -4.1056 -4.0480 -4.0480 -0.1279 -0.1279 -0.1038 -0.1038 0.3259 0.3259 0.4097 0.4097 0.5565 0.5565 0.6710 0.6710 7.1304 7.1304 7.9170 7.9170 8.2681 8.2681 8.3683 8.3683 k = 0.2524-0.8030 0.8406 ( 6864 PWs) bands (ev): -20.5458 -20.5458 -20.3457 -20.3457 -14.1888 -14.1888 -11.6601 -11.6601 -11.4314 -11.4314 -11.4220 -11.4220 -9.7794 -9.7794 -9.4684 -9.4684 -9.4569 -9.4569 -9.0840 -9.0840 -7.1502 -7.1502 -5.8487 -5.8487 -5.8152 -5.8152 -4.1064 -4.1064 -4.0481 -4.0481 -0.1252 -0.1252 -0.1039 -0.1039 0.3316 0.3316 0.4067 0.4067 0.5512 0.5512 0.6699 0.6699 7.1263 7.1263 7.9024 7.9024 8.2534 8.2534 8.3658 8.3658 k = 0.2450-0.7794 0.8406 ( 6874 PWs) bands (ev): -20.5459 -20.5459 -20.3456 -20.3456 -14.1889 -14.1889 -11.6528 -11.6528 -11.4407 -11.4407 -11.4209 -11.4209 -9.7801 -9.7801 -9.4682 -9.4682 -9.4555 -9.4555 -9.0841 -9.0841 -7.1495 -7.1495 -5.8484 -5.8484 -5.8150 -5.8150 -4.1067 -4.1067 -4.0483 -4.0483 -0.1224 -0.1224 -0.1039 -0.1039 0.3361 0.3361 0.4034 0.4034 0.5456 0.5456 0.6693 0.6693 7.1236 7.1236 7.8880 7.8880 8.2408 8.2408 8.3605 8.3605 k = 0.2376-0.7558 0.8406 ( 6864 PWs) bands (ev): -20.5460 -20.5460 -20.3456 -20.3456 -14.1891 -14.1891 -11.6479 -11.6479 -11.4477 -11.4477 -11.4202 -11.4202 -9.7801 -9.7801 -9.4676 -9.4676 -9.4536 -9.4536 -9.0840 -9.0840 -7.1490 -7.1490 -5.8478 -5.8478 -5.8147 -5.8147 -4.1066 -4.1066 -4.0486 -4.0486 -0.1194 -0.1194 -0.1038 -0.1038 0.3388 0.3388 0.4002 0.4002 0.5398 0.5398 0.6691 0.6691 7.1223 7.1223 7.8736 7.8736 8.2305 8.2305 8.3530 8.3530 k = 0.2301-0.7322 0.8406 ( 6870 PWs) bands (ev): -20.5461 -20.5461 -20.3455 -20.3455 -14.1894 -14.1894 -11.6458 -11.6458 -11.4521 -11.4521 -11.4200 -11.4200 -9.7795 -9.7795 -9.4668 -9.4668 -9.4514 -9.4514 -9.0836 -9.0836 -7.1485 -7.1485 -5.8469 -5.8469 -5.8143 -5.8143 -4.1062 -4.1062 -4.0491 -4.0491 -0.1164 -0.1164 -0.1036 -0.1036 0.3395 0.3395 0.3975 0.3975 0.5340 0.5340 0.6693 0.6693 7.1225 7.1225 7.8592 7.8592 8.2227 8.2227 8.3435 8.3435 k = 0.2227-0.7086 0.8406 ( 6882 PWs) bands (ev): -20.5463 -20.5463 -20.3455 -20.3455 -14.1897 -14.1897 -11.6468 -11.6468 -11.4535 -11.4535 -11.4203 -11.4203 -9.7781 -9.7781 -9.4656 -9.4656 -9.4489 -9.4489 -9.0830 -9.0830 -7.1482 -7.1482 -5.8459 -5.8459 -5.8139 -5.8139 -4.1054 -4.1054 -4.0497 -4.0497 -0.1139 -0.1139 -0.1029 -0.1029 0.3378 0.3378 0.3956 0.3956 0.5282 0.5282 0.6698 0.6698 7.1240 7.1240 7.8444 7.8444 8.2172 8.2172 8.3322 8.3322 k = 0.2153-0.6850 0.8406 ( 6884 PWs) bands (ev): -20.5464 -20.5464 -20.3456 -20.3456 -14.1901 -14.1901 -11.6507 -11.6507 -11.4521 -11.4521 -11.4211 -11.4211 -9.7761 -9.7761 -9.4641 -9.4641 -9.4460 -9.4460 -9.0821 -9.0821 -7.1481 -7.1481 -5.8445 -5.8445 -5.8134 -5.8134 -4.1042 -4.1042 -4.0504 -4.0504 -0.1121 -0.1121 -0.1016 -0.1016 0.3340 0.3340 0.3946 0.3946 0.5225 0.5225 0.6706 0.6706 7.1269 7.1269 7.8288 7.8288 8.2141 8.2141 8.3192 8.3192 k = 0.2079-0.6613 0.8406 ( 6876 PWs) bands (ev): -20.5467 -20.5467 -20.3456 -20.3456 -14.1905 -14.1905 -11.6573 -11.6573 -11.4481 -11.4481 -11.4223 -11.4223 -9.7734 -9.7734 -9.4623 -9.4623 -9.4428 -9.4428 -9.0809 -9.0809 -7.1480 -7.1480 -5.8430 -5.8430 -5.8129 -5.8129 -4.1026 -4.1026 -4.0513 -4.0513 -0.1114 -0.1114 -0.0995 -0.0995 0.3283 0.3283 0.3943 0.3943 0.5172 0.5172 0.6716 0.6716 7.1311 7.1311 7.8121 7.8121 8.2131 8.2131 8.3047 8.3047 k = 0.2004-0.6377 0.8406 ( 6876 PWs) bands (ev): -20.5469 -20.5469 -20.3457 -20.3457 -14.1910 -14.1910 -11.6661 -11.6661 -11.4420 -11.4420 -11.4239 -11.4239 -9.7701 -9.7701 -9.4602 -9.4602 -9.4392 -9.4392 -9.0795 -9.0795 -7.1481 -7.1481 -5.8413 -5.8413 -5.8122 -5.8122 -4.1007 -4.1007 -4.0523 -4.0523 -0.1117 -0.1117 -0.0969 -0.0969 0.3214 0.3214 0.3945 0.3945 0.5121 0.5121 0.6727 0.6727 7.1364 7.1364 7.7934 7.7934 8.2140 8.2140 8.2890 8.2890 k = 0.1930-0.6141 0.8406 ( 6878 PWs) bands (ev): -20.5471 -20.5471 -20.3458 -20.3458 -14.1915 -14.1915 -11.6765 -11.6765 -11.4344 -11.4344 -11.4259 -11.4259 -9.7662 -9.7662 -9.4578 -9.4578 -9.4354 -9.4354 -9.0779 -9.0779 -7.1483 -7.1483 -5.8394 -5.8394 -5.8113 -5.8113 -4.0984 -4.0984 -4.0534 -4.0534 -0.1127 -0.1127 -0.0943 -0.0943 0.3137 0.3137 0.3948 0.3948 0.5075 0.5075 0.6738 0.6738 7.1428 7.1428 7.7722 7.7722 8.2162 8.2162 8.2730 8.2730 k = 0.1856-0.5905 0.8406 ( 6868 PWs) bands (ev): -20.5474 -20.5474 -20.3459 -20.3459 -14.1921 -14.1921 -11.6881 -11.6881 -11.4283 -11.4283 -11.4257 -11.4257 -9.7618 -9.7618 -9.4552 -9.4552 -9.4313 -9.4313 -9.0761 -9.0761 -7.1486 -7.1486 -5.8376 -5.8376 -5.8103 -5.8103 -4.0958 -4.0958 -4.0547 -4.0547 -0.1145 -0.1145 -0.0920 -0.0920 0.3058 0.3058 0.3954 0.3954 0.5034 0.5034 0.6750 0.6750 7.1500 7.1500 7.7478 7.7478 8.2185 8.2185 8.2575 8.2575 k = 0.1782-0.5669 0.8406 ( 6872 PWs) bands (ev): -20.5477 -20.5477 -20.3460 -20.3460 -14.1927 -14.1927 -11.7005 -11.7005 -11.4310 -11.4310 -11.4162 -11.4162 -9.7568 -9.7568 -9.4523 -9.4523 -9.4270 -9.4270 -9.0741 -9.0741 -7.1491 -7.1491 -5.8357 -5.8357 -5.8090 -5.8090 -4.0929 -4.0929 -4.0560 -4.0560 -0.1169 -0.1169 -0.0903 -0.0903 0.2979 0.2979 0.3960 0.3960 0.4996 0.4996 0.6761 0.6761 7.1579 7.1579 7.7196 7.7196 8.2188 8.2188 8.2444 8.2444 k = 0.1707-0.5432 0.8406 ( 6872 PWs) bands (ev): -20.5480 -20.5480 -20.3462 -20.3462 -14.1933 -14.1933 -11.7134 -11.7134 -11.4341 -11.4341 -11.4063 -11.4063 -9.7514 -9.7514 -9.4493 -9.4493 -9.4224 -9.4224 -9.0719 -9.0719 -7.1496 -7.1496 -5.8338 -5.8338 -5.8075 -5.8075 -4.0898 -4.0898 -4.0574 -4.0574 -0.1200 -0.1200 -0.0894 -0.0894 0.2905 0.2905 0.3969 0.3969 0.4963 0.4963 0.6772 0.6772 7.1664 7.1664 7.6873 7.6873 8.2134 8.2134 8.2353 8.2353 k = 0.1633-0.5196 0.8406 ( 6874 PWs) bands (ev): -20.5484 -20.5484 -20.3463 -20.3463 -14.1940 -14.1940 -11.7266 -11.7266 -11.4374 -11.4374 -11.3962 -11.3962 -9.7456 -9.7456 -9.4461 -9.4461 -9.4177 -9.4177 -9.0696 -9.0696 -7.1502 -7.1502 -5.8321 -5.8321 -5.8057 -5.8057 -4.0865 -4.0865 -4.0589 -4.0589 -0.1239 -0.1239 -0.0894 -0.0894 0.2838 0.2838 0.3982 0.3982 0.4933 0.4933 0.6783 0.6783 7.1753 7.1753 7.6508 7.6508 8.2018 8.2018 8.2278 8.2278 k = 0.1559-0.4960 0.8406 ( 6874 PWs) bands (ev): -20.5487 -20.5487 -20.3465 -20.3465 -14.1947 -14.1947 -11.7398 -11.7398 -11.4409 -11.4409 -11.3860 -11.3860 -9.7395 -9.7395 -9.4428 -9.4428 -9.4127 -9.4127 -9.0672 -9.0672 -7.1508 -7.1508 -5.8306 -5.8306 -5.8036 -5.8036 -4.0829 -4.0829 -4.0605 -4.0605 -0.1286 -0.1286 -0.0904 -0.0904 0.2779 0.2779 0.3999 0.3999 0.4907 0.4907 0.6793 0.6793 7.1843 7.1843 7.6104 7.6104 8.1839 8.1839 8.2181 8.2181 k = 0.1485-0.4724 0.8406 ( 6872 PWs) bands (ev): -20.5490 -20.5490 -20.3467 -20.3467 -14.1955 -14.1955 -11.7530 -11.7530 -11.4446 -11.4446 -11.3760 -11.3760 -9.7331 -9.7331 -9.4393 -9.4393 -9.4077 -9.4077 -9.0647 -9.0647 -7.1516 -7.1516 -5.8292 -5.8292 -5.8012 -5.8012 -4.0792 -4.0792 -4.0620 -4.0620 -0.1343 -0.1343 -0.0925 -0.0925 0.2730 0.2730 0.4022 0.4022 0.4884 0.4884 0.6804 0.6804 7.1933 7.1933 7.5667 7.5667 8.1552 8.1552 8.2090 8.2090 k = 0.1410-0.4488 0.8406 ( 6858 PWs) bands (ev): -20.5494 -20.5494 -20.3468 -20.3468 -14.1962 -14.1962 -11.7659 -11.7659 -11.4484 -11.4484 -11.3661 -11.3661 -9.7264 -9.7264 -9.4358 -9.4358 -9.4025 -9.4025 -9.0621 -9.0621 -7.1524 -7.1524 -5.8281 -5.8281 -5.7984 -5.7984 -4.0755 -4.0755 -4.0635 -4.0635 -0.1408 -0.1408 -0.0957 -0.0957 0.2691 0.2691 0.4052 0.4052 0.4864 0.4864 0.6815 0.6815 7.2020 7.2020 7.5203 7.5203 8.1154 8.1154 8.2025 8.2025 k = 0.1336-0.4251 0.8406 ( 6864 PWs) bands (ev): -20.5497 -20.5497 -20.3471 -20.3471 -14.1970 -14.1970 -11.7786 -11.7786 -11.4524 -11.4524 -11.3564 -11.3564 -9.7195 -9.7195 -9.4323 -9.4323 -9.3973 -9.3973 -9.0595 -9.0595 -7.1532 -7.1532 -5.8271 -5.8271 -5.7955 -5.7955 -4.0721 -4.0721 -4.0646 -4.0646 -0.1482 -0.1482 -0.0998 -0.0998 0.2662 0.2662 0.4088 0.4088 0.4846 0.4846 0.6826 0.6826 7.2103 7.2103 7.4720 7.4720 8.0681 8.0681 8.1978 8.1978 k = 0.1262-0.4015 0.8406 ( 6864 PWs) bands (ev): -20.5501 -20.5501 -20.3473 -20.3473 -14.1977 -14.1977 -11.7909 -11.7909 -11.4564 -11.4564 -11.3471 -11.3471 -9.7126 -9.7126 -9.4287 -9.4287 -9.3920 -9.3920 -9.0568 -9.0568 -7.1541 -7.1541 -5.8263 -5.8263 -5.7923 -5.7923 -4.0702 -4.0702 -4.0641 -4.0641 -0.1565 -0.1565 -0.1047 -0.1047 0.2641 0.2641 0.4131 0.4131 0.4831 0.4831 0.6839 0.6839 7.2179 7.2179 7.4227 7.4227 8.0169 8.0169 8.1932 8.1932 k = 0.1188-0.3779 0.8406 ( 6856 PWs) bands (ev): -20.5504 -20.5504 -20.3475 -20.3475 -14.1985 -14.1985 -11.8028 -11.8028 -11.4604 -11.4604 -11.3382 -11.3382 -9.7056 -9.7056 -9.4252 -9.4252 -9.3868 -9.3868 -9.0542 -9.0542 -7.1550 -7.1550 -5.8256 -5.8256 -5.7890 -5.7890 -4.0707 -4.0707 -4.0612 -4.0612 -0.1656 -0.1656 -0.1103 -0.1103 0.2628 0.2628 0.4180 0.4180 0.4819 0.4819 0.6853 0.6853 7.2247 7.2247 7.3731 7.3731 7.9639 7.9639 8.1871 8.1871 k = 0.1114-0.3543 0.8406 ( 6860 PWs) bands (ev): -20.5508 -20.5508 -20.3477 -20.3477 -14.1993 -14.1993 -11.8142 -11.8142 -11.4644 -11.4644 -11.3297 -11.3297 -9.6986 -9.6986 -9.4217 -9.4217 -9.3816 -9.3816 -9.0516 -9.0516 -7.1559 -7.1559 -5.8251 -5.8251 -5.7856 -5.7856 -4.0720 -4.0720 -4.0574 -4.0574 -0.1753 -0.1753 -0.1164 -0.1164 0.2621 0.2621 0.4234 0.4234 0.4810 0.4810 0.6869 0.6869 7.2304 7.2304 7.3239 7.3239 7.9108 7.9108 8.1780 8.1780 k = 0.1039-0.3307 0.8406 ( 6858 PWs) bands (ev): -20.5511 -20.5511 -20.3479 -20.3479 -14.2000 -14.2000 -11.8251 -11.8251 -11.4683 -11.4683 -11.3217 -11.3217 -9.6917 -9.6917 -9.4183 -9.4183 -9.3765 -9.3765 -9.0491 -9.0491 -7.1568 -7.1568 -5.8247 -5.8247 -5.7821 -5.7821 -4.0736 -4.0736 -4.0535 -4.0535 -0.1855 -0.1855 -0.1228 -0.1228 0.2619 0.2619 0.4292 0.4292 0.4804 0.4804 0.6887 0.6887 7.2347 7.2347 7.2758 7.2758 7.8587 7.8587 8.1642 8.1642 k = 0.0965-0.3070 0.8406 ( 6854 PWs) bands (ev): -20.5514 -20.5514 -20.3481 -20.3481 -14.2007 -14.2007 -11.8353 -11.8353 -11.4722 -11.4722 -11.3141 -11.3141 -9.6850 -9.6850 -9.4151 -9.4151 -9.3715 -9.3715 -9.0466 -9.0466 -7.1577 -7.1577 -5.8243 -5.8243 -5.7787 -5.7787 -4.0752 -4.0752 -4.0495 -4.0495 -0.1960 -0.1960 -0.1295 -0.1295 0.2620 0.2620 0.4352 0.4352 0.4800 0.4800 0.6908 0.6908 7.2269 7.2269 7.2399 7.2399 7.8085 7.8085 8.1446 8.1446 k = 0.0891-0.2834 0.8406 ( 6846 PWs) bands (ev): -20.5518 -20.5518 -20.3483 -20.3483 -14.2014 -14.2014 -11.8450 -11.8450 -11.4759 -11.4759 -11.3071 -11.3071 -9.6784 -9.6784 -9.4120 -9.4120 -9.3667 -9.3667 -9.0442 -9.0442 -7.1586 -7.1586 -5.8240 -5.8240 -5.7753 -5.7753 -4.0768 -4.0768 -4.0456 -4.0456 -0.2066 -0.2066 -0.1363 -0.1363 0.2623 0.2623 0.4412 0.4412 0.4800 0.4800 0.6931 0.6931 7.1834 7.1834 7.2402 7.2402 7.7610 7.7610 8.1194 8.1194 k = 0.0817-0.2598 0.8406 ( 6844 PWs) bands (ev): -20.5521 -20.5521 -20.3485 -20.3485 -14.2020 -14.2020 -11.8540 -11.8540 -11.4794 -11.4794 -11.3005 -11.3005 -9.6721 -9.6721 -9.4090 -9.4090 -9.3621 -9.3621 -9.0419 -9.0419 -7.1595 -7.1595 -5.8238 -5.8238 -5.7721 -5.7721 -4.0784 -4.0784 -4.0418 -4.0418 -0.2171 -0.2171 -0.1430 -0.1430 0.2627 0.2627 0.4472 0.4472 0.4803 0.4803 0.6956 0.6956 7.1410 7.1410 7.2399 7.2399 7.7168 7.7168 8.0896 8.0896 k = 0.0742-0.2362 0.8406 ( 6840 PWs) bands (ev): -20.5523 -20.5523 -20.3486 -20.3486 -14.2027 -14.2027 -11.8623 -11.8623 -11.4828 -11.4828 -11.2945 -11.2945 -9.6661 -9.6661 -9.4063 -9.4063 -9.3577 -9.3577 -9.0398 -9.0398 -7.1603 -7.1603 -5.8235 -5.8235 -5.7690 -5.7690 -4.0799 -4.0799 -4.0382 -4.0382 -0.2273 -0.2273 -0.1495 -0.1495 0.2631 0.2631 0.4529 0.4529 0.4808 0.4808 0.6984 0.6984 7.1013 7.1013 7.2379 7.2379 7.6766 7.6766 8.0570 8.0570 k = 0.0668-0.2126 0.8406 ( 6836 PWs) bands (ev): -20.5526 -20.5526 -20.3488 -20.3488 -14.2032 -14.2032 -11.8699 -11.8699 -11.4859 -11.4859 -11.2891 -11.2891 -9.6605 -9.6605 -9.4037 -9.4037 -9.3536 -9.3536 -9.0378 -9.0378 -7.1610 -7.1610 -5.8234 -5.8234 -5.7661 -5.7661 -4.0813 -4.0813 -4.0349 -4.0349 -0.2371 -0.2371 -0.1557 -0.1557 0.2635 0.2635 0.4581 0.4581 0.4816 0.4816 0.7012 0.7012 7.0645 7.0645 7.2342 7.2342 7.6408 7.6408 8.0235 8.0235 k = 0.0594-0.1890 0.8406 ( 6832 PWs) bands (ev): -20.5528 -20.5528 -20.3490 -20.3490 -14.2037 -14.2037 -11.8767 -11.8767 -11.4887 -11.4887 -11.2842 -11.2842 -9.6554 -9.6554 -9.4014 -9.4014 -9.3499 -9.3499 -9.0360 -9.0360 -7.1617 -7.1617 -5.8232 -5.8232 -5.7634 -5.7634 -4.0826 -4.0826 -4.0317 -4.0317 -0.2463 -0.2463 -0.1616 -0.1616 0.2637 0.2637 0.4629 0.4629 0.4827 0.4827 0.7042 0.7042 7.0309 7.0309 7.2289 7.2289 7.6096 7.6096 7.9905 7.9905 k = 0.0520-0.1653 0.8406 ( 6830 PWs) bands (ev): -20.5531 -20.5531 -20.3491 -20.3491 -14.2042 -14.2042 -11.8828 -11.8828 -11.4913 -11.4913 -11.2798 -11.2798 -9.6507 -9.6507 -9.3993 -9.3993 -9.3465 -9.3465 -9.0344 -9.0344 -7.1624 -7.1624 -5.8231 -5.8231 -5.7610 -5.7610 -4.0838 -4.0838 -4.0289 -4.0289 -0.2547 -0.2547 -0.1669 -0.1669 0.2640 0.2640 0.4670 0.4670 0.4840 0.4840 0.7072 0.7072 7.0009 7.0009 7.2222 7.2222 7.5831 7.5831 7.9595 7.9595 k = 0.0445-0.1417 0.8406 ( 6822 PWs) bands (ev): -20.5533 -20.5533 -20.3492 -20.3492 -14.2046 -14.2046 -11.8881 -11.8881 -11.4936 -11.4936 -11.2760 -11.2760 -9.6466 -9.6466 -9.3975 -9.3975 -9.3435 -9.3435 -9.0330 -9.0330 -7.1629 -7.1629 -5.8231 -5.8231 -5.7588 -5.7588 -4.0848 -4.0848 -4.0264 -4.0264 -0.2623 -0.2623 -0.1718 -0.1718 0.2641 0.2641 0.4705 0.4705 0.4854 0.4854 0.7101 0.7101 6.9744 6.9744 7.2146 7.2146 7.5612 7.5612 7.9312 7.9312 k = 0.0371-0.1181 0.8406 ( 6830 PWs) bands (ev): -20.5534 -20.5534 -20.3493 -20.3493 -14.2050 -14.2050 -11.8926 -11.8926 -11.4956 -11.4956 -11.2729 -11.2729 -9.6430 -9.6430 -9.3960 -9.3960 -9.3409 -9.3409 -9.0317 -9.0317 -7.1634 -7.1634 -5.8230 -5.8230 -5.7569 -5.7569 -4.0857 -4.0857 -4.0242 -4.0242 -0.2689 -0.2689 -0.1760 -0.1760 0.2642 0.2642 0.4732 0.4732 0.4869 0.4869 0.7128 0.7128 6.9518 6.9518 7.2066 7.2066 7.5437 7.5437 7.9063 7.9063 k = 0.0297-0.0945 0.8406 ( 6832 PWs) bands (ev): -20.5536 -20.5536 -20.3494 -20.3494 -14.2053 -14.2053 -11.8964 -11.8964 -11.4972 -11.4972 -11.2702 -11.2702 -9.6400 -9.6400 -9.3947 -9.3947 -9.3387 -9.3387 -9.0307 -9.0307 -7.1638 -7.1638 -5.8229 -5.8229 -5.7553 -5.7553 -4.0865 -4.0865 -4.0224 -4.0224 -0.2744 -0.2744 -0.1795 -0.1795 0.2642 0.2642 0.4753 0.4753 0.4884 0.4884 0.7151 0.7151 6.9331 6.9331 7.1990 7.1990 7.5301 7.5301 7.8854 7.8854 k = 0.0223-0.0709 0.8406 ( 6836 PWs) bands (ev): -20.5537 -20.5537 -20.3495 -20.3495 -14.2055 -14.2055 -11.8993 -11.8993 -11.4985 -11.4985 -11.2682 -11.2682 -9.6376 -9.6376 -9.3937 -9.3937 -9.3370 -9.3370 -9.0299 -9.0299 -7.1642 -7.1642 -5.8229 -5.8229 -5.7541 -5.7541 -4.0871 -4.0871 -4.0210 -4.0210 -0.2787 -0.2787 -0.1823 -0.1823 0.2642 0.2642 0.4769 0.4769 0.4897 0.4897 0.7171 0.7171 6.9185 6.9185 7.1923 7.1923 7.5201 7.5201 7.8689 7.8689 k = 0.0148-0.0472 0.8406 ( 6832 PWs) bands (ev): -20.5538 -20.5538 -20.3495 -20.3495 -14.2057 -14.2057 -11.9013 -11.9013 -11.4994 -11.4994 -11.2667 -11.2667 -9.6360 -9.6360 -9.3930 -9.3930 -9.3358 -9.3358 -9.0294 -9.0294 -7.1644 -7.1644 -5.8229 -5.8229 -5.7532 -5.7532 -4.0875 -4.0875 -4.0200 -4.0200 -0.2819 -0.2819 -0.1843 -0.1843 0.2641 0.2641 0.4779 0.4779 0.4907 0.4907 0.7185 0.7185 6.9080 6.9080 7.1871 7.1871 7.5132 7.5132 7.8569 7.8569 k = 0.0074-0.0236 0.8406 ( 6828 PWs) bands (ev): -20.5538 -20.5538 -20.3496 -20.3496 -14.2058 -14.2058 -11.9026 -11.9026 -11.4999 -11.4999 -11.2659 -11.2659 -9.6349 -9.6349 -9.3926 -9.3926 -9.3350 -9.3350 -9.0290 -9.0290 -7.1645 -7.1645 -5.8228 -5.8228 -5.7527 -5.7527 -4.0877 -4.0877 -4.0193 -4.0193 -0.2838 -0.2838 -0.1856 -0.1856 0.2641 0.2641 0.4785 0.4785 0.4913 0.4913 0.7195 0.7195 6.9017 6.9017 7.1838 7.1838 7.5092 7.5092 7.8496 7.8496 k = 0.0000 0.0000 0.8406 ( 6828 PWs) bands (ev): -20.5538 -20.5538 -20.3496 -20.3496 -14.2058 -14.2058 -11.9030 -11.9030 -11.5001 -11.5001 -11.2656 -11.2656 -9.6346 -9.6346 -9.3924 -9.3924 -9.3348 -9.3348 -9.0289 -9.0289 -7.1646 -7.1646 -5.8228 -5.8228 -5.7525 -5.7525 -4.0878 -4.0878 -4.0191 -4.0191 -0.2844 -0.2844 -0.1860 -0.1860 0.2641 0.2641 0.4787 0.4787 0.4916 0.4916 0.7198 0.7198 6.8995 6.8995 7.1826 7.1826 7.5079 7.5079 7.8472 7.8472 k = 0.0000 0.0000 0.8406 ( 6828 PWs) bands (ev): -20.5538 -20.5538 -20.3496 -20.3496 -14.2058 -14.2058 -11.9030 -11.9030 -11.5001 -11.5001 -11.2656 -11.2656 -9.6346 -9.6346 -9.3924 -9.3924 -9.3348 -9.3348 -9.0289 -9.0289 -7.1646 -7.1646 -5.8228 -5.8228 -5.7525 -5.7525 -4.0878 -4.0878 -4.0191 -4.0191 -0.2844 -0.2844 -0.1860 -0.1860 0.2641 0.2641 0.4787 0.4787 0.4916 0.4916 0.7198 0.7198 6.8995 6.8995 7.1826 7.1826 7.5079 7.5079 7.8472 7.8472 k = 0.0240 0.0075 0.8406 ( 6827 PWs) bands (ev): -20.5538 -20.5538 -20.3496 -20.3496 -14.2058 -14.2058 -11.9033 -11.9033 -11.5008 -11.5008 -11.2643 -11.2643 -9.6344 -9.6344 -9.3925 -9.3925 -9.3351 -9.3351 -9.0288 -9.0288 -7.1647 -7.1647 -5.8229 -5.8229 -5.7525 -5.7525 -4.0878 -4.0878 -4.0190 -4.0190 -0.2843 -0.2843 -0.1863 -0.1863 0.2648 0.2648 0.4769 0.4769 0.4936 0.4936 0.7196 0.7196 6.8944 6.8944 7.1877 7.1877 7.5077 7.5077 7.8450 7.8450 k = 0.0479 0.0151 0.8406 ( 6827 PWs) bands (ev): -20.5537 -20.5537 -20.3497 -20.3497 -14.2058 -14.2058 -11.9042 -11.9042 -11.5029 -11.5029 -11.2607 -11.2607 -9.6340 -9.6340 -9.3927 -9.3927 -9.3360 -9.3360 -9.0286 -9.0286 -7.1652 -7.1652 -5.8231 -5.8231 -5.7527 -5.7527 -4.0878 -4.0878 -4.0188 -4.0188 -0.2838 -0.2838 -0.1874 -0.1874 0.2667 0.2667 0.4733 0.4733 0.4981 0.4981 0.7192 0.7192 6.8802 6.8802 7.2018 7.2018 7.5068 7.5068 7.8389 7.8389 k = 0.0719 0.0226 0.8406 ( 6832 PWs) bands (ev): -20.5537 -20.5537 -20.3498 -20.3498 -14.2057 -14.2057 -11.9058 -11.9058 -11.5060 -11.5060 -11.2550 -11.2550 -9.6334 -9.6334 -9.3930 -9.3930 -9.3375 -9.3375 -9.0282 -9.0282 -7.1659 -7.1659 -5.8235 -5.8235 -5.7530 -5.7530 -4.0877 -4.0877 -4.0184 -4.0184 -0.2830 -0.2830 -0.1892 -0.1892 0.2699 0.2699 0.4692 0.4692 0.5036 0.5036 0.7185 0.7185 6.8598 6.8598 7.2221 7.2221 7.5040 7.5040 7.8301 7.8301 k = 0.0959 0.0301 0.8406 ( 6835 PWs) bands (ev): -20.5535 -20.5535 -20.3499 -20.3499 -14.2055 -14.2055 -11.9079 -11.9079 -11.5100 -11.5100 -11.2474 -11.2474 -9.6324 -9.6324 -9.3935 -9.3935 -9.3396 -9.3396 -9.0277 -9.0277 -7.1669 -7.1669 -5.8240 -5.8240 -5.7534 -5.7534 -4.0877 -4.0877 -4.0179 -4.0179 -0.2819 -0.2819 -0.1917 -0.1917 0.2743 0.2743 0.4652 0.4652 0.5096 0.5096 0.7175 0.7175 6.8359 6.8359 7.2459 7.2459 7.4980 7.4980 7.8208 7.8208 k = 0.1198 0.0377 0.8406 ( 6835 PWs) bands (ev): -20.5534 -20.5534 -20.3501 -20.3501 -14.2054 -14.2054 -11.9106 -11.9106 -11.5145 -11.5145 -11.2383 -11.2383 -9.6312 -9.6312 -9.3940 -9.3940 -9.3422 -9.3422 -9.0270 -9.0270 -7.1682 -7.1682 -5.8247 -5.8247 -5.7539 -5.7539 -4.0876 -4.0876 -4.0173 -4.0173 -0.2806 -0.2806 -0.1948 -0.1948 0.2799 0.2799 0.4613 0.4613 0.5160 0.5160 0.7162 0.7162 6.8107 6.8107 7.2712 7.2712 7.4866 7.4866 7.8131 7.8131 k = 0.1438 0.0452 0.8406 ( 6844 PWs) bands (ev): -20.5532 -20.5532 -20.3503 -20.3503 -14.2052 -14.2052 -11.9137 -11.9137 -11.5193 -11.5193 -11.2282 -11.2282 -9.6297 -9.6297 -9.3947 -9.3947 -9.3454 -9.3454 -9.0263 -9.0263 -7.1697 -7.1697 -5.8254 -5.8254 -5.7545 -5.7545 -4.0876 -4.0876 -4.0165 -4.0165 -0.2791 -0.2791 -0.1984 -0.1984 0.2864 0.2864 0.4575 0.4575 0.5227 0.5227 0.7147 0.7147 6.7857 6.7857 7.2966 7.2966 7.4684 7.4684 7.8094 7.8094 k = 0.1677 0.0527 0.8406 ( 6851 PWs) bands (ev): -20.5530 -20.5530 -20.3506 -20.3506 -14.2050 -14.2050 -11.9174 -11.9174 -11.5240 -11.5240 -11.2173 -11.2173 -9.6280 -9.6280 -9.3954 -9.3954 -9.3491 -9.3491 -9.0254 -9.0254 -7.1713 -7.1713 -5.8263 -5.8263 -5.7552 -5.7552 -4.0875 -4.0875 -4.0156 -4.0156 -0.2773 -0.2773 -0.2025 -0.2025 0.2939 0.2939 0.4539 0.4539 0.5298 0.5298 0.7130 0.7130 6.7621 6.7621 7.3208 7.3208 7.4429 7.4429 7.8109 7.8109 k = 0.1917 0.0603 0.8406 ( 6856 PWs) bands (ev): -20.5528 -20.5528 -20.3509 -20.3509 -14.2048 -14.2048 -11.9214 -11.9214 -11.5285 -11.5285 -11.2061 -11.2061 -9.6260 -9.6260 -9.3962 -9.3962 -9.3531 -9.3531 -9.0245 -9.0245 -7.1731 -7.1731 -5.8272 -5.8272 -5.7559 -5.7559 -4.0875 -4.0875 -4.0146 -4.0146 -0.2755 -0.2755 -0.2070 -0.2070 0.3020 0.3020 0.4504 0.4504 0.5373 0.5373 0.7110 0.7110 6.7406 6.7406 7.3416 7.3416 7.4121 7.4121 7.8175 7.8175 k = 0.2157 0.0678 0.8406 ( 6852 PWs) bands (ev): -20.5525 -20.5525 -20.3511 -20.3511 -14.2045 -14.2045 -11.9257 -11.9257 -11.5326 -11.5326 -11.1947 -11.1947 -9.6238 -9.6238 -9.3971 -9.3971 -9.3576 -9.3576 -9.0235 -9.0235 -7.1750 -7.1750 -5.8282 -5.8282 -5.7567 -5.7567 -4.0875 -4.0875 -4.0136 -4.0136 -0.2734 -0.2734 -0.2118 -0.2118 0.3108 0.3108 0.4470 0.4470 0.5451 0.5451 0.7088 0.7088 6.7217 6.7217 7.3458 7.3458 7.3902 7.3902 7.8286 7.8286 k = 0.2396 0.0753 0.8406 ( 6853 PWs) bands (ev): -20.5523 -20.5523 -20.3514 -20.3514 -14.2043 -14.2043 -11.9302 -11.9302 -11.5363 -11.5363 -11.1834 -11.1834 -9.6214 -9.6214 -9.3980 -9.3980 -9.3624 -9.3624 -9.0225 -9.0225 -7.1769 -7.1769 -5.8292 -5.8292 -5.7575 -5.7575 -4.0876 -4.0876 -4.0124 -4.0124 -0.2714 -0.2714 -0.2168 -0.2168 0.3199 0.3199 0.4437 0.4437 0.5533 0.5533 0.7065 0.7065 6.7059 6.7059 7.3128 7.3128 7.3992 7.3992 7.8428 7.8428 k = 0.2636 0.0829 0.8406 ( 6856 PWs) bands (ev): -20.5521 -20.5521 -20.3517 -20.3517 -14.2041 -14.2041 -11.9348 -11.9348 -11.5394 -11.5394 -11.1725 -11.1725 -9.6187 -9.6187 -9.3989 -9.3989 -9.3674 -9.3674 -9.0215 -9.0215 -7.1788 -7.1788 -5.8302 -5.8302 -5.7584 -5.7584 -4.0878 -4.0878 -4.0112 -4.0112 -0.2692 -0.2692 -0.2219 -0.2219 0.3291 0.3291 0.4403 0.4403 0.5618 0.5618 0.7041 0.7041 6.6934 6.6934 7.2671 7.2671 7.4159 7.4159 7.8591 7.8591 k = 0.2876 0.0904 0.8406 ( 6858 PWs) bands (ev): -20.5518 -20.5518 -20.3520 -20.3520 -14.2039 -14.2039 -11.9395 -11.9395 -11.5420 -11.5420 -11.1620 -11.1620 -9.6160 -9.6160 -9.3998 -9.3998 -9.3725 -9.3725 -9.0206 -9.0206 -7.1806 -7.1806 -5.8312 -5.8312 -5.7592 -5.7592 -4.0880 -4.0880 -4.0099 -4.0099 -0.2670 -0.2670 -0.2270 -0.2270 0.3383 0.3383 0.4370 0.4370 0.5704 0.5704 0.7018 0.7018 6.6845 6.6845 7.2182 7.2182 7.4321 7.4321 7.8763 7.8763 k = 0.3115 0.0979 0.8406 ( 6864 PWs) bands (ev): -20.5516 -20.5516 -20.3523 -20.3523 -14.2037 -14.2037 -11.9440 -11.9440 -11.5441 -11.5441 -11.1523 -11.1523 -9.6131 -9.6131 -9.4007 -9.4007 -9.3777 -9.3777 -9.0196 -9.0196 -7.1824 -7.1824 -5.8323 -5.8323 -5.7601 -5.7601 -4.0884 -4.0884 -4.0086 -4.0086 -0.2649 -0.2649 -0.2319 -0.2319 0.3471 0.3471 0.4338 0.4338 0.5789 0.5789 0.6996 0.6996 6.6794 6.6794 7.1682 7.1682 7.4466 7.4466 7.8935 7.8935 k = 0.3355 0.1054 0.8406 ( 6860 PWs) bands (ev): -20.5514 -20.5514 -20.3525 -20.3525 -14.2035 -14.2035 -11.9484 -11.9484 -11.5456 -11.5456 -11.1433 -11.1433 -9.6102 -9.6102 -9.4017 -9.4017 -9.3827 -9.3827 -9.0188 -9.0188 -7.1840 -7.1840 -5.8332 -5.8332 -5.7610 -5.7610 -4.0888 -4.0888 -4.0072 -4.0072 -0.2628 -0.2628 -0.2365 -0.2365 0.3553 0.3553 0.4308 0.4308 0.5871 0.5871 0.6980 0.6980 6.6780 6.6780 7.1187 7.1187 7.4590 7.4590 7.9099 7.9099 k = 0.3595 0.1130 0.8406 ( 6859 PWs) bands (ev): -20.5513 -20.5513 -20.3527 -20.3527 -14.2034 -14.2034 -11.9524 -11.9524 -11.5466 -11.5466 -11.1353 -11.1353 -9.6074 -9.6074 -9.4026 -9.4026 -9.3876 -9.3876 -9.0180 -9.0180 -7.1854 -7.1854 -5.8341 -5.8341 -5.7618 -5.7618 -4.0894 -4.0894 -4.0059 -4.0059 -0.2609 -0.2609 -0.2407 -0.2407 0.3625 0.3625 0.4284 0.4284 0.5944 0.5944 0.6972 0.6972 6.6805 6.6805 7.0705 7.0705 7.4692 7.4692 7.9246 7.9246 k = 0.5000 0.1572-0.1049 ( 6872 PWs) bands (ev): -20.5590 -20.5590 -20.3612 -20.3612 -14.2745 -14.2745 -11.6210 -11.6210 -11.4203 -11.4203 -11.3104 -11.3104 -9.7321 -9.7321 -9.4491 -9.4491 -9.4380 -9.4380 -9.0253 -9.0253 -6.9683 -6.9683 -5.9274 -5.9274 -5.8680 -5.8680 -4.4611 -4.4611 -3.7283 -3.7283 0.0211 0.0211 0.2644 0.2644 0.4284 0.4284 0.5460 0.5460 0.6922 0.6922 0.8262 0.8262 5.5240 5.5240 6.1520 6.1520 7.1797 7.1797 7.9075 7.9075 k = 0.5075 0.1334-0.1049 ( 6876 PWs) bands (ev): -20.5590 -20.5590 -20.3612 -20.3612 -14.2745 -14.2745 -11.6210 -11.6210 -11.4205 -11.4205 -11.3106 -11.3106 -9.7321 -9.7321 -9.4490 -9.4490 -9.4378 -9.4378 -9.0251 -9.0251 -6.9682 -6.9682 -5.9275 -5.9275 -5.8682 -5.8682 -4.4611 -4.4611 -3.7286 -3.7286 0.0210 0.0210 0.2636 0.2636 0.4285 0.4285 0.5454 0.5454 0.6918 0.6918 0.8249 0.8249 5.5277 5.5277 6.1541 6.1541 7.1819 7.1819 7.9086 7.9086 k = 0.5150 0.1096-0.1049 ( 6876 PWs) bands (ev): -20.5589 -20.5589 -20.3611 -20.3611 -14.2744 -14.2744 -11.6207 -11.6207 -11.4214 -11.4214 -11.3111 -11.3111 -9.7321 -9.7321 -9.4488 -9.4488 -9.4370 -9.4370 -9.0245 -9.0245 -6.9681 -6.9681 -5.9280 -5.9280 -5.8687 -5.8687 -4.4611 -4.4611 -3.7296 -3.7296 0.0207 0.0207 0.2612 0.2612 0.4288 0.4288 0.5434 0.5434 0.6907 0.6907 0.8211 0.8211 5.5385 5.5385 6.1605 6.1605 7.1886 7.1886 7.9120 7.9120 k = 0.5224 0.0858-0.1049 ( 6878 PWs) bands (ev): -20.5589 -20.5589 -20.3610 -20.3610 -14.2742 -14.2742 -11.6204 -11.6204 -11.4227 -11.4227 -11.3119 -11.3119 -9.7321 -9.7321 -9.4485 -9.4485 -9.4357 -9.4357 -9.0236 -9.0236 -6.9679 -6.9679 -5.9288 -5.9288 -5.8695 -5.8695 -4.4611 -4.4611 -3.7312 -3.7312 0.0201 0.0201 0.2571 0.2571 0.4292 0.4292 0.5403 0.5403 0.6887 0.6887 0.8149 0.8149 5.5565 5.5565 6.1710 6.1710 7.1996 7.1996 7.9176 7.9176 k = 0.5299 0.0620-0.1049 ( 6872 PWs) bands (ev): -20.5588 -20.5588 -20.3609 -20.3609 -14.2740 -14.2740 -11.6199 -11.6199 -11.4247 -11.4247 -11.3130 -11.3130 -9.7320 -9.7320 -9.4480 -9.4480 -9.4339 -9.4339 -9.0222 -9.0222 -6.9677 -6.9677 -5.9300 -5.9300 -5.8707 -5.8707 -4.4610 -4.4610 -3.7334 -3.7334 0.0193 0.0193 0.2514 0.2514 0.4298 0.4298 0.5360 0.5360 0.6859 0.6859 0.8066 0.8066 5.5813 5.5813 6.1858 6.1858 7.2145 7.2145 7.9252 7.9252 k = 0.5374 0.0382-0.1049 ( 6872 PWs) bands (ev): -20.5586 -20.5586 -20.3607 -20.3607 -14.2737 -14.2737 -11.6192 -11.6192 -11.4271 -11.4271 -11.3144 -11.3144 -9.7320 -9.7320 -9.4476 -9.4476 -9.4315 -9.4315 -9.0205 -9.0205 -6.9673 -6.9673 -5.9314 -5.9314 -5.8721 -5.8721 -4.4610 -4.4610 -3.7362 -3.7362 0.0182 0.0182 0.2441 0.2441 0.4304 0.4304 0.5309 0.5309 0.6821 0.6821 0.7965 0.7965 5.6128 5.6128 6.2046 6.2046 7.2332 7.2332 7.9344 7.9344 k = 0.5449 0.0144-0.1049 ( 6874 PWs) bands (ev): -20.5585 -20.5585 -20.3604 -20.3604 -14.2733 -14.2733 -11.6184 -11.6184 -11.4300 -11.4300 -11.3161 -11.3161 -9.7320 -9.7320 -9.4470 -9.4470 -9.4286 -9.4286 -9.0184 -9.0184 -6.9669 -6.9669 -5.9332 -5.9332 -5.8738 -5.8738 -4.4610 -4.4610 -3.7395 -3.7395 0.0166 0.0166 0.2350 0.2350 0.4309 0.4309 0.5250 0.5250 0.6773 0.6773 0.7852 0.7852 5.6507 5.6507 6.2273 6.2273 7.2551 7.2551 7.9449 7.9449 k = 0.5523-0.0094-0.1049 ( 6880 PWs) bands (ev): -20.5583 -20.5583 -20.3602 -20.3602 -14.2729 -14.2729 -11.6174 -11.6174 -11.4334 -11.4334 -11.3181 -11.3181 -9.7319 -9.7319 -9.4465 -9.4465 -9.4252 -9.4252 -9.0160 -9.0160 -6.9664 -6.9664 -5.9353 -5.9353 -5.8757 -5.8757 -4.4609 -4.4609 -3.7434 -3.7434 0.0146 0.0146 0.2241 0.2241 0.4313 0.4313 0.5187 0.5187 0.6714 0.6714 0.7730 0.7730 5.6945 5.6945 6.2538 6.2538 7.2797 7.2797 7.9563 7.9563 k = 0.5598-0.0332-0.1049 ( 6876 PWs) bands (ev): -20.5581 -20.5581 -20.3599 -20.3599 -14.2724 -14.2724 -11.6163 -11.6163 -11.4372 -11.4372 -11.3204 -11.3204 -9.7318 -9.7318 -9.4458 -9.4458 -9.4213 -9.4213 -9.0133 -9.0133 -6.9659 -6.9659 -5.9378 -5.9378 -5.8778 -5.8778 -4.4609 -4.4609 -3.7478 -3.7478 0.0121 0.0121 0.2116 0.2116 0.4315 0.4315 0.5121 0.5121 0.6642 0.6642 0.7606 0.7606 5.7439 5.7439 6.2840 6.2840 7.3064 7.3064 7.9682 7.9682 k = 0.5673-0.0570-0.1049 ( 6876 PWs) bands (ev): -20.5579 -20.5579 -20.3596 -20.3596 -14.2719 -14.2719 -11.6151 -11.6151 -11.4414 -11.4414 -11.3230 -11.3230 -9.7317 -9.7317 -9.4452 -9.4452 -9.4170 -9.4170 -9.0103 -9.0103 -6.9653 -6.9653 -5.9406 -5.9406 -5.8800 -5.8800 -4.4609 -4.4609 -3.7526 -3.7526 0.0089 0.0089 0.1972 0.1972 0.4311 0.4311 0.5055 0.5055 0.6559 0.6559 0.7485 0.7485 5.7984 5.7984 6.3177 6.3177 7.3347 7.3347 7.9801 7.9801 k = 0.5748-0.0807-0.1049 ( 6874 PWs) bands (ev): -20.5577 -20.5577 -20.3592 -20.3592 -14.2713 -14.2713 -11.6137 -11.6137 -11.4460 -11.4460 -11.3257 -11.3257 -9.7316 -9.7316 -9.4445 -9.4445 -9.4123 -9.4123 -9.0071 -9.0071 -6.9646 -6.9646 -5.9437 -5.9437 -5.8823 -5.8823 -4.4609 -4.4609 -3.7578 -3.7578 0.0050 0.0050 0.1812 0.1812 0.4302 0.4302 0.4990 0.4990 0.6467 0.6467 0.7369 0.7369 5.8576 5.8576 6.3545 6.3545 7.3639 7.3639 7.9916 7.9916 k = 0.5822-0.1045-0.1049 ( 6868 PWs) bands (ev): -20.5574 -20.5574 -20.3588 -20.3588 -14.2707 -14.2707 -11.6122 -11.6122 -11.4509 -11.4509 -11.3287 -11.3287 -9.7315 -9.7315 -9.4437 -9.4437 -9.4073 -9.4073 -9.0036 -9.0036 -6.9639 -6.9639 -5.9472 -5.9472 -5.8847 -5.8847 -4.4609 -4.4609 -3.7634 -3.7634 0.0003 0.0003 0.1635 0.1635 0.4286 0.4286 0.4929 0.4929 0.6368 0.6368 0.7261 0.7261 5.9209 5.9209 6.3942 6.3942 7.3935 7.3935 8.0020 8.0020 k = 0.5897-0.1283-0.1049 ( 6870 PWs) bands (ev): -20.5572 -20.5572 -20.3584 -20.3584 -14.2700 -14.2700 -11.6105 -11.6105 -11.4561 -11.4561 -11.3319 -11.3319 -9.7314 -9.7314 -9.4430 -9.4430 -9.4021 -9.4021 -8.9999 -8.9999 -6.9631 -6.9631 -5.9509 -5.9509 -5.8871 -5.8871 -4.4610 -4.4610 -3.7694 -3.7694 -0.0053 -0.0053 0.1443 0.1443 0.4262 0.4262 0.4871 0.4871 0.6269 0.6269 0.7161 0.7161 5.9879 5.9879 6.4365 6.4365 7.4228 7.4228 8.0111 8.0111 k = 0.5972-0.1521-0.1049 ( 6860 PWs) bands (ev): -20.5569 -20.5569 -20.3580 -20.3580 -14.2694 -14.2694 -11.6087 -11.6087 -11.4616 -11.4616 -11.3353 -11.3353 -9.7312 -9.7312 -9.4422 -9.4422 -9.3966 -9.3966 -8.9961 -8.9961 -6.9623 -6.9623 -5.9549 -5.9549 -5.8894 -5.8894 -4.4611 -4.4611 -3.7755 -3.7755 -0.0119 -0.0119 0.1236 0.1236 0.4231 0.4231 0.4816 0.4816 0.6176 0.6176 0.7069 0.7069 6.0580 6.0580 6.4810 6.4810 7.4517 7.4517 8.0185 8.0185 k = 0.6047-0.1759-0.1049 ( 6856 PWs) bands (ev): -20.5566 -20.5566 -20.3575 -20.3575 -14.2687 -14.2687 -11.6067 -11.6067 -11.4672 -11.4672 -11.3388 -11.3388 -9.7311 -9.7311 -9.4413 -9.4413 -9.3909 -9.3909 -8.9921 -8.9921 -6.9615 -6.9615 -5.9590 -5.9590 -5.8918 -5.8918 -4.4612 -4.4612 -3.7819 -3.7819 -0.0195 -0.0195 0.1016 0.1016 0.4195 0.4195 0.4760 0.4760 0.6095 0.6095 0.6983 0.6983 6.1308 6.1308 6.5271 6.5271 7.4798 7.4798 8.0240 8.0240 k = 0.6122-0.1997-0.1049 ( 6860 PWs) bands (ev): -20.5564 -20.5564 -20.3571 -20.3571 -14.2680 -14.2680 -11.6046 -11.6046 -11.4730 -11.4730 -11.3425 -11.3425 -9.7309 -9.7309 -9.4404 -9.4404 -9.3851 -9.3851 -8.9881 -8.9881 -6.9606 -6.9606 -5.9634 -5.9634 -5.8941 -5.8941 -4.4614 -4.4614 -3.7884 -3.7884 -0.0282 -0.0282 0.0786 0.0786 0.4157 0.4157 0.4702 0.4702 0.6029 0.6029 0.6901 0.6901 6.2058 6.2058 6.5743 6.5743 7.5072 7.5072 8.0272 8.0272 k = 0.6196-0.2235-0.1049 ( 6856 PWs) bands (ev): -20.5561 -20.5561 -20.3566 -20.3566 -14.2672 -14.2672 -11.6024 -11.6024 -11.4789 -11.4789 -11.3463 -11.3463 -9.7307 -9.7307 -9.4395 -9.4395 -9.3793 -9.3793 -8.9840 -8.9840 -6.9597 -6.9597 -5.9678 -5.9678 -5.8964 -5.8964 -4.4616 -4.4616 -3.7950 -3.7950 -0.0379 -0.0379 0.0548 0.0548 0.4119 0.4119 0.4639 0.4639 0.5984 0.5984 0.6823 0.6823 6.2824 6.2824 6.6220 6.6220 7.5341 7.5341 8.0282 8.0282 k = 0.6271-0.2473-0.1049 ( 6854 PWs) bands (ev): -20.5558 -20.5558 -20.3561 -20.3561 -14.2665 -14.2665 -11.6000 -11.6000 -11.4849 -11.4849 -11.3502 -11.3502 -9.7306 -9.7306 -9.4386 -9.4386 -9.3734 -9.3734 -8.9799 -8.9799 -6.9588 -6.9588 -5.9723 -5.9723 -5.8985 -5.8985 -4.4618 -4.4618 -3.8017 -3.8017 -0.0486 -0.0486 0.0306 0.0306 0.4085 0.4085 0.4570 0.4570 0.5958 0.5958 0.6748 0.6748 6.3603 6.3603 6.6694 6.6694 7.5607 7.5607 8.0268 8.0268 k = 0.6346-0.2711-0.1049 ( 6854 PWs) bands (ev): -20.5556 -20.5556 -20.3556 -20.3556 -14.2658 -14.2658 -11.5975 -11.5975 -11.4909 -11.4909 -11.3542 -11.3542 -9.7304 -9.7304 -9.4376 -9.4376 -9.3676 -9.3676 -8.9758 -8.9758 -6.9579 -6.9579 -5.9769 -5.9769 -5.9007 -5.9007 -4.4621 -4.4621 -3.8083 -3.8083 -0.0605 -0.0605 0.0063 0.0063 0.4055 0.4055 0.4496 0.4496 0.5953 0.5953 0.6675 0.6675 6.4388 6.4388 6.7156 6.7156 7.5878 7.5878 8.0231 8.0231 k = 0.6421-0.2948-0.1049 ( 6858 PWs) bands (ev): -20.5553 -20.5553 -20.3551 -20.3551 -14.2651 -14.2651 -11.5948 -11.5948 -11.4969 -11.4969 -11.3582 -11.3582 -9.7303 -9.7303 -9.4367 -9.4367 -9.3619 -9.3619 -8.9718 -8.9718 -6.9570 -6.9570 -5.9813 -5.9813 -5.9027 -5.9027 -4.4625 -4.4625 -3.8148 -3.8148 -0.0735 -0.0735 -0.0174 -0.0174 0.4031 0.4031 0.4418 0.4418 0.5964 0.5964 0.6603 0.6603 6.5175 6.5175 6.7598 6.7598 7.6158 7.6158 8.0171 8.0171 k = 0.6495-0.3186-0.1049 ( 6856 PWs) bands (ev): -20.5551 -20.5551 -20.3546 -20.3546 -14.2644 -14.2644 -11.5920 -11.5920 -11.5028 -11.5028 -11.3623 -11.3623 -9.7301 -9.7301 -9.4357 -9.4357 -9.3563 -9.3563 -8.9678 -8.9678 -6.9561 -6.9561 -5.9857 -5.9857 -5.9046 -5.9046 -4.4629 -4.4629 -3.8212 -3.8212 -0.0880 -0.0880 -0.0399 -0.0399 0.4012 0.4012 0.4337 0.4337 0.5989 0.5989 0.6535 0.6535 6.5960 6.5960 6.8010 6.8010 7.6456 7.6456 8.0089 8.0089 k = 0.6570-0.3424-0.1049 ( 6860 PWs) bands (ev): -20.5549 -20.5549 -20.3541 -20.3541 -14.2638 -14.2638 -11.5890 -11.5890 -11.5085 -11.5085 -11.3664 -11.3664 -9.7300 -9.7300 -9.4347 -9.4347 -9.3510 -9.3510 -8.9640 -8.9640 -6.9552 -6.9552 -5.9899 -5.9899 -5.9065 -5.9065 -4.4633 -4.4633 -3.8274 -3.8274 -0.1042 -0.1042 -0.0605 -0.0605 0.3999 0.3999 0.4258 0.4258 0.6025 0.6025 0.6470 0.6470 6.6737 6.6737 6.8384 6.8384 7.6777 7.6777 7.9987 7.9987 k = 0.6645-0.3662-0.1049 ( 6858 PWs) bands (ev): -20.5547 -20.5547 -20.3536 -20.3536 -14.2631 -14.2631 -11.5859 -11.5859 -11.5142 -11.5142 -11.3705 -11.3705 -9.7299 -9.7299 -9.4337 -9.4337 -9.3458 -9.3458 -8.9604 -8.9604 -6.9543 -6.9543 -5.9939 -5.9939 -5.9083 -5.9083 -4.4637 -4.4637 -3.8334 -3.8334 -0.1222 -0.1222 -0.0785 -0.0785 0.3985 0.3985 0.4185 0.4185 0.6066 0.6066 0.6411 0.6411 6.7501 6.7501 6.8713 6.8713 7.7125 7.7125 7.9865 7.9865 k = 0.6720-0.3900-0.1049 ( 6862 PWs) bands (ev): -20.5545 -20.5545 -20.3531 -20.3531 -14.2626 -14.2626 -11.5826 -11.5826 -11.5196 -11.5196 -11.3747 -11.3747 -9.7298 -9.7298 -9.4328 -9.4328 -9.3409 -9.3409 -8.9569 -8.9569 -6.9534 -6.9534 -5.9977 -5.9977 -5.9099 -5.9099 -4.4642 -4.4642 -3.8390 -3.8390 -0.1416 -0.1416 -0.0939 -0.0939 0.3960 0.3960 0.4131 0.4131 0.6102 0.6102 0.6369 0.6369 6.8243 6.8243 6.8998 6.8998 7.7502 7.7502 7.9728 7.9728 k = 0.6795-0.4138-0.1049 ( 6858 PWs) bands (ev): -20.5543 -20.5543 -20.3527 -20.3527 -14.2620 -14.2620 -11.5792 -11.5792 -11.5248 -11.5248 -11.3788 -11.3788 -9.7298 -9.7298 -9.4318 -9.4318 -9.3364 -9.3364 -8.9537 -8.9537 -6.9525 -6.9525 -6.0011 -6.0011 -5.9115 -5.9115 -4.4648 -4.4648 -3.8443 -3.8443 -0.1615 -0.1615 -0.1073 -0.1073 0.3912 0.3912 0.4106 0.4106 0.6112 0.6112 0.6360 0.6360 6.8924 6.8924 6.9268 6.9268 7.7902 7.7902 7.9576 7.9576 k = 0.6869-0.4376-0.1049 ( 6848 PWs) bands (ev): -20.5542 -20.5542 -20.3522 -20.3522 -14.2615 -14.2615 -11.5756 -11.5756 -11.5298 -11.5298 -11.3829 -11.3829 -9.7298 -9.7298 -9.4308 -9.4308 -9.3322 -9.3322 -8.9508 -8.9508 -6.9517 -6.9517 -6.0042 -6.0042 -5.9129 -5.9129 -4.4653 -4.4653 -3.8492 -3.8492 -0.1812 -0.1812 -0.1190 -0.1190 0.3845 0.3845 0.4108 0.4108 0.6087 0.6087 0.6396 0.6396 6.9298 6.9298 6.9766 6.9766 7.8320 7.8320 7.9414 7.9414 k = 0.6944-0.4614-0.1049 ( 6852 PWs) bands (ev): -20.5541 -20.5541 -20.3518 -20.3518 -14.2611 -14.2611 -11.5718 -11.5718 -11.5344 -11.5344 -11.3870 -11.3870 -9.7298 -9.7298 -9.4299 -9.4299 -9.3283 -9.3283 -8.9481 -8.9481 -6.9509 -6.9509 -6.0069 -6.0069 -5.9142 -5.9142 -4.4659 -4.4659 -3.8537 -3.8537 -0.2000 -0.2000 -0.1293 -0.1293 0.3771 0.3771 0.4124 0.4124 0.6039 0.6039 0.6460 0.6460 6.9439 6.9439 7.0417 7.0417 7.8742 7.8742 7.9246 7.9246 k = 0.7019-0.4852-0.1049 ( 6852 PWs) bands (ev): -20.5540 -20.5540 -20.3514 -20.3514 -14.2607 -14.2607 -11.5679 -11.5679 -11.5388 -11.5388 -11.3910 -11.3910 -9.7299 -9.7299 -9.4289 -9.4289 -9.3249 -9.3249 -8.9458 -8.9458 -6.9502 -6.9502 -6.0092 -6.0092 -5.9154 -5.9154 -4.4666 -4.4666 -3.8577 -3.8577 -0.2175 -0.2175 -0.1383 -0.1383 0.3695 0.3695 0.4147 0.4147 0.5982 0.5982 0.6539 0.6539 6.9509 6.9509 7.1053 7.1053 7.9054 7.9054 7.9176 7.9176 k = 0.7094-0.5090-0.1049 ( 6852 PWs) bands (ev): -20.5540 -20.5540 -20.3510 -20.3510 -14.2604 -14.2604 -11.5638 -11.5638 -11.5428 -11.5428 -11.3950 -11.3950 -9.7300 -9.7300 -9.4280 -9.4280 -9.3219 -9.3219 -8.9438 -8.9438 -6.9495 -6.9495 -6.0111 -6.0111 -5.9164 -5.9164 -4.4672 -4.4672 -3.8612 -3.8612 -0.2335 -0.2335 -0.1460 -0.1460 0.3620 0.3620 0.4176 0.4176 0.5923 0.5923 0.6627 0.6627 6.9529 6.9529 7.1655 7.1655 7.8896 7.8896 7.9554 7.9554 k = 0.7168-0.5327-0.1049 ( 6850 PWs) bands (ev): -20.5540 -20.5540 -20.3507 -20.3507 -14.2601 -14.2601 -11.5595 -11.5595 -11.5464 -11.5464 -11.3990 -11.3990 -9.7302 -9.7302 -9.4271 -9.4271 -9.3194 -9.3194 -8.9421 -8.9421 -6.9488 -6.9488 -6.0125 -6.0125 -5.9173 -5.9173 -4.4679 -4.4679 -3.8641 -3.8641 -0.2478 -0.2478 -0.1523 -0.1523 0.3548 0.3548 0.4207 0.4207 0.5865 0.5865 0.6721 0.6721 6.9506 6.9506 7.2211 7.2211 7.8733 7.8733 7.9904 7.9904 k = 0.7243-0.5565-0.1049 ( 6856 PWs) bands (ev): -20.5540 -20.5540 -20.3503 -20.3503 -14.2600 -14.2600 -11.5551 -11.5551 -11.5497 -11.5497 -11.4028 -11.4028 -9.7305 -9.7305 -9.4263 -9.4263 -9.3174 -9.3174 -8.9409 -8.9409 -6.9483 -6.9483 -6.0134 -6.0134 -5.9181 -5.9181 -4.4686 -4.4686 -3.8666 -3.8666 -0.2601 -0.2601 -0.1573 -0.1573 0.3478 0.3478 0.4240 0.4240 0.5809 0.5809 0.6818 0.6818 6.9445 6.9445 7.2714 7.2714 7.8585 7.8585 8.0202 8.0202 k = 0.2757-0.8771 0.0000 ( 6856 PWs) bands (ev): -20.5540 -20.5540 -20.3503 -20.3503 -14.2600 -14.2600 -11.5551 -11.5551 -11.5497 -11.5497 -11.4028 -11.4028 -9.7305 -9.7305 -9.4263 -9.4263 -9.3174 -9.3174 -8.9409 -8.9409 -6.9483 -6.9483 -6.0134 -6.0134 -5.9181 -5.9181 -4.4686 -4.4686 -3.8666 -3.8666 -0.2601 -0.2601 -0.1573 -0.1573 0.3478 0.3478 0.4240 0.4240 0.5809 0.5809 0.6818 0.6818 6.9445 6.9445 7.2714 7.2714 7.8585 7.8585 8.0202 8.0202 k = 0.2682-0.8534 0.0000 ( 6864 PWs) bands (ev): -20.5541 -20.5541 -20.3500 -20.3500 -14.2599 -14.2599 -11.5526 -11.5526 -11.5504 -11.5504 -11.4067 -11.4067 -9.7308 -9.7308 -9.4254 -9.4254 -9.3158 -9.3158 -8.9400 -8.9400 -6.9477 -6.9477 -6.0139 -6.0139 -5.9187 -5.9187 -4.4693 -4.4693 -3.8684 -3.8684 -0.2705 -0.2705 -0.1610 -0.1610 0.3413 0.3413 0.4272 0.4272 0.5757 0.5757 0.6917 0.6917 6.9349 6.9349 7.3153 7.3153 7.8460 7.8460 8.0437 8.0437 k = 0.2608-0.8297 0.0000 ( 6856 PWs) bands (ev): -20.5542 -20.5542 -20.3498 -20.3498 -14.2598 -14.2598 -11.5550 -11.5550 -11.5456 -11.5456 -11.4104 -11.4104 -9.7311 -9.7311 -9.4246 -9.4246 -9.3147 -9.3147 -8.9396 -8.9396 -6.9472 -6.9472 -6.0138 -6.0138 -5.9192 -5.9192 -4.4699 -4.4699 -3.8697 -3.8697 -0.2787 -0.2787 -0.1632 -0.1632 0.3352 0.3352 0.4303 0.4303 0.5711 0.5711 0.7019 0.7019 6.9219 6.9219 7.3520 7.3520 7.8367 7.8367 8.0606 8.0606 k = 0.2533-0.8060 0.0000 ( 6860 PWs) bands (ev): -20.5544 -20.5544 -20.3495 -20.3495 -14.2599 -14.2599 -11.5570 -11.5570 -11.5407 -11.5407 -11.4141 -11.4141 -9.7315 -9.7315 -9.4239 -9.4239 -9.3142 -9.3142 -8.9395 -8.9395 -6.9468 -6.9468 -6.0132 -6.0132 -5.9195 -5.9195 -4.4707 -4.4707 -3.8704 -3.8704 -0.2849 -0.2849 -0.1640 -0.1640 0.3295 0.3295 0.4332 0.4332 0.5672 0.5672 0.7121 0.7121 6.9056 6.9056 7.3805 7.3805 7.8314 7.8314 8.0709 8.0709 k = 0.2459-0.7823 0.0000 ( 6858 PWs) bands (ev): -20.5546 -20.5546 -20.3493 -20.3493 -14.2600 -14.2600 -11.5586 -11.5586 -11.5356 -11.5356 -11.4177 -11.4177 -9.7320 -9.7320 -9.4231 -9.4231 -9.3141 -9.3141 -8.9399 -8.9399 -6.9465 -6.9465 -6.0120 -6.0120 -5.9197 -5.9197 -4.4714 -4.4714 -3.8705 -3.8705 -0.2889 -0.2889 -0.1634 -0.1634 0.3243 0.3243 0.4356 0.4356 0.5640 0.5640 0.7223 0.7223 6.8861 6.8861 7.4002 7.4002 7.8309 7.8309 8.0751 8.0751 k = 0.2384-0.7586 0.0000 ( 6862 PWs) bands (ev): -20.5548 -20.5548 -20.3492 -20.3492 -14.2602 -14.2602 -11.5598 -11.5598 -11.5303 -11.5303 -11.4212 -11.4212 -9.7325 -9.7325 -9.4224 -9.4224 -9.3146 -9.3146 -8.9407 -8.9407 -6.9462 -6.9462 -6.0104 -6.0104 -5.9197 -5.9197 -4.4721 -4.4721 -3.8700 -3.8700 -0.2909 -0.2909 -0.1613 -0.1613 0.3196 0.3196 0.4375 0.4375 0.5619 0.5619 0.7326 0.7326 6.8633 6.8633 7.4109 7.4109 7.8350 7.8350 8.0741 8.0741 k = 0.2310-0.7349 0.0000 ( 6860 PWs) bands (ev): -20.5550 -20.5550 -20.3490 -20.3490 -14.2605 -14.2605 -11.5606 -11.5606 -11.5248 -11.5248 -11.4247 -11.4247 -9.7331 -9.7331 -9.4218 -9.4218 -9.3155 -9.3155 -8.9418 -8.9418 -6.9459 -6.9459 -6.0082 -6.0082 -5.9196 -5.9196 -4.4729 -4.4729 -3.8689 -3.8689 -0.2907 -0.2907 -0.1579 -0.1579 0.3154 0.3154 0.4389 0.4389 0.5608 0.5608 0.7427 0.7427 6.8372 6.8372 7.4131 7.4131 7.8432 7.8432 8.0687 8.0687 k = 0.2235-0.7112 0.0000 ( 6862 PWs) bands (ev): -20.5553 -20.5553 -20.3489 -20.3489 -14.2608 -14.2608 -11.5609 -11.5609 -11.5193 -11.5193 -11.4281 -11.4281 -9.7337 -9.7337 -9.4211 -9.4211 -9.3169 -9.3169 -8.9434 -8.9434 -6.9458 -6.9458 -6.0056 -6.0056 -5.9194 -5.9194 -4.4737 -4.4737 -3.8672 -3.8672 -0.2886 -0.2886 -0.1531 -0.1531 0.3119 0.3119 0.4397 0.4397 0.5608 0.5608 0.7527 0.7527 6.8076 6.8076 7.4078 7.4078 7.8542 7.8542 8.0600 8.0600 k = 0.2161-0.6875 0.0000 ( 6864 PWs) bands (ev): -20.5557 -20.5557 -20.3488 -20.3488 -14.2612 -14.2612 -11.5609 -11.5609 -11.5135 -11.5135 -11.4314 -11.4314 -9.7344 -9.7344 -9.4206 -9.4206 -9.3188 -9.3188 -8.9454 -8.9454 -6.9457 -6.9457 -6.0024 -6.0024 -5.9190 -5.9190 -4.4744 -4.4744 -3.8650 -3.8650 -0.2845 -0.2845 -0.1470 -0.1470 0.3090 0.3090 0.4399 0.4399 0.5620 0.5620 0.7624 0.7624 6.7744 6.7744 7.3964 7.3964 7.8665 7.8665 8.0489 8.0489 k = 0.2086-0.6638 0.0000 ( 6866 PWs) bands (ev): -20.5560 -20.5560 -20.3488 -20.3488 -14.2617 -14.2617 -11.5604 -11.5604 -11.5077 -11.5077 -11.4346 -11.4346 -9.7351 -9.7351 -9.4200 -9.4200 -9.3211 -9.3211 -8.9478 -8.9478 -6.9456 -6.9456 -5.9988 -5.9988 -5.9185 -5.9185 -4.4752 -4.4752 -3.8622 -3.8622 -0.2786 -0.2786 -0.1395 -0.1395 0.3068 0.3068 0.4395 0.4395 0.5644 0.5644 0.7719 0.7719 6.7376 6.7376 7.3799 7.3799 7.8785 7.8785 8.0362 8.0362 k = 0.2012-0.6401 0.0000 ( 6862 PWs) bands (ev): -20.5564 -20.5564 -20.3488 -20.3488 -14.2623 -14.2623 -11.5596 -11.5596 -11.5017 -11.5017 -11.4378 -11.4378 -9.7359 -9.7359 -9.4195 -9.4195 -9.3238 -9.3238 -8.9505 -8.9505 -6.9456 -6.9456 -5.9947 -5.9947 -5.9179 -5.9179 -4.4761 -4.4761 -3.8589 -3.8589 -0.2712 -0.2712 -0.1308 -0.1308 0.3054 0.3054 0.4388 0.4388 0.5678 0.5678 0.7811 0.7811 6.6971 6.6971 7.3595 7.3595 7.8889 7.8889 8.0225 8.0225 k = 0.1937-0.6164 0.0000 ( 6856 PWs) bands (ev): -20.5568 -20.5568 -20.3488 -20.3488 -14.2629 -14.2629 -11.5583 -11.5583 -11.4957 -11.4957 -11.4408 -11.4408 -9.7368 -9.7368 -9.4190 -9.4190 -9.3270 -9.3270 -8.9535 -8.9535 -6.9456 -6.9456 -5.9902 -5.9902 -5.9172 -5.9172 -4.4769 -4.4769 -3.8551 -3.8551 -0.2623 -0.2623 -0.1207 -0.1207 0.3047 0.3047 0.4378 0.4378 0.5722 0.5722 0.7900 0.7900 6.6531 6.6531 7.3359 7.3359 7.8964 7.8964 8.0084 8.0084 k = 0.1863-0.5927 0.0000 ( 6852 PWs) bands (ev): -20.5573 -20.5573 -20.3488 -20.3488 -14.2636 -14.2636 -11.5568 -11.5568 -11.4896 -11.4896 -11.4438 -11.4438 -9.7376 -9.7376 -9.4185 -9.4185 -9.3305 -9.3305 -8.9569 -8.9569 -6.9458 -6.9458 -5.9853 -5.9853 -5.9163 -5.9163 -4.4778 -4.4778 -3.8508 -3.8508 -0.2523 -0.2523 -0.1094 -0.1094 0.3049 0.3049 0.4368 0.4368 0.5775 0.5775 0.7985 0.7985 6.6057 6.6057 7.3097 7.3097 7.9002 7.9002 7.9939 7.9939 k = 0.1788-0.5690 0.0000 ( 6864 PWs) bands (ev): -20.5577 -20.5577 -20.3489 -20.3489 -14.2643 -14.2643 -11.5549 -11.5549 -11.4835 -11.4835 -11.4466 -11.4466 -9.7386 -9.7386 -9.4181 -9.4181 -9.3343 -9.3343 -8.9606 -8.9606 -6.9459 -6.9459 -5.9801 -5.9801 -5.9154 -5.9154 -4.4786 -4.4786 -3.8461 -3.8461 -0.2414 -0.2414 -0.0969 -0.0969 0.3061 0.3061 0.4357 0.4357 0.5836 0.5836 0.8065 0.8065 6.5551 6.5551 7.2812 7.2812 7.8993 7.8993 7.9789 7.9789 k = 0.1714-0.5452 0.0000 ( 6864 PWs) bands (ev): -20.5582 -20.5582 -20.3490 -20.3490 -14.2650 -14.2650 -11.5527 -11.5527 -11.4774 -11.4774 -11.4492 -11.4492 -9.7395 -9.7395 -9.4177 -9.4177 -9.3384 -9.3384 -8.9646 -8.9646 -6.9461 -6.9461 -5.9745 -5.9745 -5.9144 -5.9144 -4.4795 -4.4795 -3.8411 -3.8411 -0.2300 -0.2300 -0.0830 -0.0830 0.3081 0.3081 0.4348 0.4348 0.5904 0.5904 0.8140 0.8140 6.5017 6.5017 7.2508 7.2508 7.8933 7.8933 7.9628 7.9628 k = 0.1639-0.5215 0.0000 ( 6862 PWs) bands (ev): -20.5587 -20.5587 -20.3491 -20.3491 -14.2658 -14.2658 -11.5502 -11.5502 -11.4716 -11.4716 -11.4515 -11.4515 -9.7405 -9.7405 -9.4174 -9.4174 -9.3428 -9.3428 -8.9688 -8.9688 -6.9464 -6.9464 -5.9686 -5.9686 -5.9133 -5.9133 -4.4805 -4.4805 -3.8357 -3.8357 -0.2184 -0.2184 -0.0678 -0.0678 0.3112 0.3112 0.4342 0.4342 0.5979 0.5979 0.8210 0.8210 6.4460 6.4460 7.2187 7.2187 7.8816 7.8816 7.9446 7.9446 k = 0.1565-0.4978 0.0000 ( 6860 PWs) bands (ev): -20.5592 -20.5592 -20.3493 -20.3493 -14.2667 -14.2667 -11.5475 -11.5475 -11.4665 -11.4665 -11.4530 -11.4530 -9.7415 -9.7415 -9.4171 -9.4171 -9.3475 -9.3475 -8.9731 -8.9731 -6.9467 -6.9467 -5.9625 -5.9625 -5.9122 -5.9122 -4.4814 -4.4814 -3.8300 -3.8300 -0.2071 -0.2071 -0.0511 -0.0511 0.3152 0.3152 0.4340 0.4340 0.6060 0.6060 0.8275 0.8275 6.3883 6.3883 7.1849 7.1849 7.8642 7.8642 7.9229 7.9229 k = 0.1490-0.4741 0.0000 ( 6864 PWs) bands (ev): -20.5598 -20.5598 -20.3494 -20.3494 -14.2675 -14.2675 -11.5446 -11.5446 -11.4635 -11.4635 -11.4523 -11.4523 -9.7425 -9.7425 -9.4168 -9.4168 -9.3523 -9.3523 -8.9777 -8.9777 -6.9470 -6.9470 -5.9562 -5.9562 -5.9109 -5.9109 -4.4824 -4.4824 -3.8240 -3.8240 -0.1963 -0.1963 -0.0331 -0.0331 0.3202 0.3202 0.4343 0.4343 0.6146 0.6146 0.8333 0.8333 6.3292 6.3292 7.1496 7.1496 7.8409 7.8409 7.8964 7.8964 k = 0.1416-0.4504 0.0000 ( 6856 PWs) bands (ev): -20.5603 -20.5603 -20.3496 -20.3496 -14.2684 -14.2684 -11.5415 -11.5415 -11.4635 -11.4635 -11.4485 -11.4485 -9.7434 -9.7434 -9.4165 -9.4165 -9.3573 -9.3573 -8.9824 -8.9824 -6.9473 -6.9473 -5.9497 -5.9497 -5.9097 -5.9097 -4.4834 -4.4834 -3.8179 -3.8179 -0.1863 -0.1863 -0.0136 -0.0136 0.3260 0.3260 0.4353 0.4353 0.6237 0.6237 0.8386 0.8386 6.2692 6.2692 7.1128 7.1128 7.8121 7.8121 7.8634 7.8634 k = 0.1341-0.4267 0.0000 ( 6862 PWs) bands (ev): -20.5608 -20.5608 -20.3498 -20.3498 -14.2693 -14.2693 -11.5383 -11.5383 -11.4651 -11.4651 -11.4432 -11.4432 -9.7444 -9.7444 -9.4162 -9.4162 -9.3623 -9.3623 -8.9871 -8.9871 -6.9477 -6.9477 -5.9432 -5.9432 -5.9083 -5.9083 -4.4845 -4.4845 -3.8116 -3.8116 -0.1775 -0.1775 0.0072 0.0072 0.3325 0.3325 0.4370 0.4370 0.6334 0.6334 0.8432 0.8432 6.2087 6.2087 7.0748 7.0748 7.7783 7.7783 7.8231 7.8231 k = 0.1267-0.4030 0.0000 ( 6854 PWs) bands (ev): -20.5613 -20.5613 -20.3500 -20.3500 -14.2702 -14.2702 -11.5349 -11.5349 -11.4670 -11.4670 -11.4375 -11.4375 -9.7454 -9.7454 -9.4160 -9.4160 -9.3674 -9.3674 -8.9920 -8.9920 -6.9481 -6.9481 -5.9367 -5.9367 -5.9069 -5.9069 -4.4855 -4.4855 -3.8052 -3.8052 -0.1699 -0.1699 0.0292 0.0292 0.3395 0.3395 0.4396 0.4396 0.6435 0.6435 0.8471 0.8471 6.1484 6.1484 7.0357 7.0357 7.7404 7.7404 7.7755 7.7755 k = 0.1192-0.3793 0.0000 ( 6858 PWs) bands (ev): -20.5619 -20.5619 -20.3502 -20.3502 -14.2711 -14.2711 -11.5315 -11.5315 -11.4690 -11.4690 -11.4317 -11.4317 -9.7464 -9.7464 -9.4158 -9.4158 -9.3725 -9.3725 -8.9968 -8.9968 -6.9485 -6.9485 -5.9302 -5.9302 -5.9054 -5.9054 -4.4866 -4.4866 -3.7988 -3.7988 -0.1635 -0.1635 0.0522 0.0522 0.3466 0.3466 0.4432 0.4432 0.6540 0.6540 0.8504 0.8504 6.0887 6.0887 6.9955 6.9955 7.6994 7.6994 7.7216 7.7216 k = 0.1118-0.3556 0.0000 ( 6866 PWs) bands (ev): -20.5624 -20.5624 -20.3504 -20.3504 -14.2719 -14.2719 -11.5281 -11.5281 -11.4710 -11.4710 -11.4261 -11.4261 -9.7474 -9.7474 -9.4157 -9.4157 -9.3776 -9.3776 -9.0016 -9.0016 -6.9489 -6.9489 -5.9240 -5.9240 -5.9038 -5.9038 -4.4876 -4.4876 -3.7924 -3.7924 -0.1583 -0.1583 0.0759 0.0759 0.3535 0.3535 0.4481 0.4481 0.6650 0.6650 0.8529 0.8529 6.0301 6.0301 6.9545 6.9545 7.6557 7.6557 7.6639 7.6639 k = 0.1043-0.3319 0.0000 ( 6860 PWs) bands (ev): -20.5629 -20.5629 -20.3506 -20.3506 -14.2728 -14.2728 -11.5246 -11.5246 -11.4730 -11.4730 -11.4206 -11.4206 -9.7483 -9.7483 -9.4155 -9.4155 -9.3826 -9.3826 -9.0064 -9.0064 -6.9493 -6.9493 -5.9182 -5.9182 -5.9019 -5.9019 -4.4887 -4.4887 -3.7861 -3.7861 -0.1543 -0.1543 0.1001 0.1001 0.3600 0.3600 0.4544 0.4544 0.6763 0.6763 0.8548 0.8548 5.9730 5.9730 6.9129 6.9129 7.6011 7.6011 7.6137 7.6137 k = 0.0969-0.3082 0.0000 ( 6850 PWs) bands (ev): -20.5634 -20.5634 -20.3508 -20.3508 -14.2736 -14.2736 -11.5212 -11.5212 -11.4748 -11.4748 -11.4152 -11.4152 -9.7492 -9.7492 -9.4154 -9.4154 -9.3874 -9.3874 -9.0110 -9.0110 -6.9497 -6.9497 -5.9130 -5.9130 -5.8994 -5.8994 -4.4897 -4.4897 -3.7799 -3.7799 -0.1513 -0.1513 0.1245 0.1245 0.3657 0.3657 0.4621 0.4621 0.6879 0.6879 0.8559 0.8559 5.9178 5.9178 6.8711 6.8711 7.5397 7.5397 7.5697 7.5697 k = 0.0894-0.2845 0.0000 ( 6842 PWs) bands (ev): -20.5638 -20.5638 -20.3510 -20.3510 -14.2744 -14.2744 -11.5179 -11.5179 -11.4766 -11.4766 -11.4101 -11.4101 -9.7500 -9.7500 -9.4153 -9.4153 -9.3921 -9.3921 -9.0155 -9.0155 -6.9501 -6.9501 -5.9089 -5.9089 -5.8962 -5.8962 -4.4907 -4.4907 -3.7740 -3.7740 -0.1493 -0.1493 0.1486 0.1486 0.3704 0.3704 0.4712 0.4712 0.6996 0.6996 0.8563 0.8563 5.8650 5.8650 6.8295 6.8295 7.4787 7.4787 7.5271 7.5271 k = 0.0820-0.2608 0.0000 ( 6846 PWs) bands (ev): -20.5643 -20.5643 -20.3512 -20.3512 -14.2752 -14.2752 -11.5146 -11.5146 -11.4782 -11.4782 -11.4053 -11.4053 -9.7509 -9.7509 -9.4154 -9.4154 -9.3965 -9.3965 -9.0197 -9.0197 -6.9504 -6.9504 -5.9060 -5.9060 -5.8922 -5.8922 -4.4917 -4.4917 -3.7682 -3.7682 -0.1480 -0.1480 0.1723 0.1723 0.3741 0.3741 0.4815 0.4815 0.7114 0.7114 0.8560 0.8560 5.8149 5.8149 6.7885 6.7885 7.4195 7.4195 7.4862 7.4862 k = 0.0745-0.2371 0.0000 ( 6838 PWs) bands (ev): -20.5647 -20.5647 -20.3514 -20.3514 -14.2759 -14.2759 -11.5116 -11.5116 -11.4798 -11.4798 -11.4008 -11.4008 -9.7516 -9.7516 -9.4155 -9.4155 -9.4005 -9.4005 -9.0238 -9.0238 -6.9508 -6.9508 -5.9039 -5.9039 -5.8876 -5.8876 -4.4927 -4.4927 -3.7628 -3.7628 -0.1473 -0.1473 0.1953 0.1953 0.3768 0.3768 0.4927 0.4927 0.7230 0.7230 0.8552 0.8552 5.7679 5.7679 6.7486 6.7486 7.3632 7.3632 7.4478 7.4478 k = 0.0671-0.2134 0.0000 ( 6836 PWs) bands (ev): -20.5650 -20.5650 -20.3516 -20.3516 -14.2766 -14.2766 -11.5087 -11.5087 -11.4811 -11.4811 -11.3966 -11.3966 -9.7523 -9.7523 -9.4158 -9.4158 -9.4041 -9.4041 -9.0276 -9.0276 -6.9511 -6.9511 -5.9023 -5.9023 -5.8830 -5.8830 -4.4936 -4.4936 -3.7578 -3.7578 -0.1471 -0.1471 0.2172 0.2172 0.3785 0.3785 0.5047 0.5047 0.7343 0.7343 0.8537 0.8537 5.7243 5.7243 6.7102 6.7102 7.3104 7.3104 7.4123 7.4123 k = 0.0596-0.1897 0.0000 ( 6837 PWs) bands (ev): -20.5654 -20.5654 -20.3517 -20.3517 -14.2772 -14.2772 -11.5060 -11.5060 -11.4824 -11.4824 -11.3928 -11.3928 -9.7530 -9.7530 -9.4163 -9.4163 -9.4071 -9.4071 -9.0311 -9.0311 -6.9515 -6.9515 -5.9011 -5.9011 -5.8785 -5.8785 -4.4945 -4.4945 -3.7531 -3.7531 -0.1473 -0.1473 0.2378 0.2378 0.3793 0.3793 0.5169 0.5169 0.7450 0.7450 0.8518 0.8518 5.6843 5.6843 6.6741 6.6741 7.2619 7.2619 7.3800 7.3800 k = 0.0522-0.1659 0.0000 ( 6841 PWs) bands (ev): -20.5657 -20.5657 -20.3519 -20.3519 -14.2778 -14.2778 -11.5035 -11.5035 -11.4835 -11.4835 -11.3894 -11.3894 -9.7535 -9.7535 -9.4174 -9.4174 -9.4093 -9.4093 -9.0343 -9.0343 -6.9518 -6.9518 -5.9001 -5.9001 -5.8743 -5.8743 -4.4953 -4.4953 -3.7489 -3.7489 -0.1477 -0.1477 0.2570 0.2570 0.3792 0.3792 0.5292 0.5292 0.7550 0.7550 0.8495 0.8495 5.6484 5.6484 6.6406 6.6406 7.2180 7.2180 7.3512 7.3512 k = 0.0447-0.1422 0.0000 ( 6837 PWs) bands (ev): -20.5660 -20.5660 -20.3520 -20.3520 -14.2783 -14.2783 -11.5014 -11.5014 -11.4845 -11.4845 -11.3863 -11.3863 -9.7540 -9.7540 -9.4189 -9.4189 -9.4107 -9.4107 -9.0371 -9.0371 -6.9520 -6.9520 -5.8993 -5.8993 -5.8706 -5.8706 -4.4960 -4.4960 -3.7451 -3.7451 -0.1482 -0.1482 0.2746 0.2746 0.3783 0.3783 0.5411 0.5411 0.7640 0.7640 0.8471 0.8471 5.6167 5.6167 6.6104 6.6104 7.1793 7.1793 7.3260 7.3260 k = 0.0373-0.1185 0.0000 ( 6833 PWs) bands (ev): -20.5662 -20.5662 -20.3522 -20.3522 -14.2787 -14.2787 -11.4995 -11.4995 -11.4853 -11.4853 -11.3837 -11.3837 -9.7545 -9.7545 -9.4206 -9.4206 -9.4115 -9.4115 -9.0395 -9.0395 -6.9522 -6.9522 -5.8986 -5.8986 -5.8673 -5.8673 -4.4966 -4.4966 -3.7419 -3.7419 -0.1489 -0.1489 0.2906 0.2906 0.3766 0.3766 0.5522 0.5522 0.7717 0.7717 0.8447 0.8447 5.5894 5.5894 6.5839 6.5839 7.1460 7.1460 7.3046 7.3046 k = 0.0298-0.0948 0.0000 ( 6837 PWs) bands (ev): -20.5664 -20.5664 -20.3523 -20.3523 -14.2790 -14.2790 -11.4979 -11.4979 -11.4860 -11.4860 -11.3816 -11.3816 -9.7548 -9.7548 -9.4223 -9.4223 -9.4119 -9.4119 -9.0415 -9.0415 -6.9524 -6.9524 -5.8981 -5.8981 -5.8646 -5.8646 -4.4971 -4.4971 -3.7392 -3.7392 -0.1495 -0.1495 0.3047 0.3047 0.3742 0.3742 0.5621 0.5621 0.7779 0.7779 0.8426 0.8426 5.5668 5.5668 6.5616 6.5616 7.1184 7.1184 7.2870 7.2870 k = 0.0224-0.0711 0.0000 ( 6833 PWs) bands (ev): -20.5666 -20.5666 -20.3523 -20.3523 -14.2793 -14.2793 -11.4967 -11.4967 -11.4866 -11.4866 -11.3799 -11.3799 -9.7551 -9.7551 -9.4237 -9.4237 -9.4121 -9.4121 -9.0431 -9.0431 -6.9526 -6.9526 -5.8977 -5.8977 -5.8624 -5.8624 -4.4975 -4.4975 -3.7371 -3.7371 -0.1500 -0.1500 0.3170 0.3170 0.3709 0.3709 0.5704 0.5704 0.7826 0.7826 0.8408 0.8408 5.5491 5.5491 6.5439 6.5439 7.0968 7.0968 7.2733 7.2733 k = 0.0149-0.0474 0.0000 ( 6833 PWs) bands (ev): -20.5667 -20.5667 -20.3524 -20.3524 -14.2795 -14.2795 -11.4958 -11.4958 -11.4870 -11.4870 -11.3787 -11.3787 -9.7553 -9.7553 -9.4247 -9.4247 -9.4122 -9.4122 -9.0442 -9.0442 -6.9527 -6.9527 -5.8974 -5.8974 -5.8609 -5.8609 -4.4978 -4.4978 -3.7356 -3.7356 -0.1504 -0.1504 0.3273 0.3273 0.3672 0.3672 0.5767 0.5767 0.7858 0.7858 0.8397 0.8397 5.5363 5.5363 6.5310 6.5310 7.0812 7.0812 7.2634 7.2634 k = 0.0075-0.0237 0.0000 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2796 -14.2796 -11.4952 -11.4952 -11.4872 -11.4872 -11.3780 -11.3780 -9.7554 -9.7554 -9.4254 -9.4254 -9.4123 -9.4123 -9.0449 -9.0449 -6.9527 -6.9527 -5.8972 -5.8972 -5.8599 -5.8599 -4.4980 -4.4980 -3.7347 -3.7347 -0.1507 -0.1507 0.3347 0.3347 0.3636 0.3636 0.5807 0.5807 0.7876 0.7876 0.8390 0.8390 5.5286 5.5286 6.5232 6.5232 7.0718 7.0718 7.2575 7.2575 k = 0.0000 0.0000 0.0000 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2797 -14.2797 -11.4951 -11.4951 -11.4873 -11.4873 -11.3777 -11.3777 -9.7555 -9.7555 -9.4256 -9.4256 -9.4123 -9.4123 -9.0451 -9.0451 -6.9528 -6.9528 -5.8971 -5.8971 -5.8596 -5.8596 -4.4980 -4.4980 -3.7343 -3.7343 -0.1508 -0.1508 0.3377 0.3377 0.3619 0.3619 0.5820 0.5820 0.7882 0.7882 0.8388 0.8388 5.5260 5.5260 6.5205 6.5205 7.0687 7.0687 7.2556 7.2556 k = 0.0000 0.0000 0.0000 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2797 -14.2797 -11.4951 -11.4951 -11.4873 -11.4873 -11.3777 -11.3777 -9.7555 -9.7555 -9.4256 -9.4256 -9.4123 -9.4123 -9.0451 -9.0451 -6.9528 -6.9528 -5.8971 -5.8971 -5.8596 -5.8596 -4.4980 -4.4980 -3.7343 -3.7343 -0.1508 -0.1508 0.3377 0.3377 0.3619 0.3619 0.5820 0.5820 0.7882 0.7882 0.8388 0.8388 5.5260 5.5260 6.5205 6.5205 7.0687 7.0687 7.2556 7.2556 k = 0.0143-0.0205-0.0015 ( 6840 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2796 -14.2796 -11.4961 -11.4961 -11.4864 -11.4864 -11.3779 -11.3779 -9.7554 -9.7554 -9.4254 -9.4254 -9.4123 -9.4123 -9.0449 -9.0449 -6.9527 -6.9527 -5.8972 -5.8972 -5.8599 -5.8599 -4.4979 -4.4979 -3.7346 -3.7346 -0.1506 -0.1506 0.3348 0.3348 0.3637 0.3637 0.5808 0.5808 0.7877 0.7877 0.8389 0.8389 5.5283 5.5283 6.5231 6.5231 7.0705 7.0705 7.2586 7.2586 k = 0.0286-0.0410-0.0030 ( 6835 PWs) bands (ev): -20.5667 -20.5667 -20.3524 -20.3524 -14.2795 -14.2795 -11.4984 -11.4984 -11.4844 -11.4844 -11.3785 -11.3785 -9.7553 -9.7553 -9.4248 -9.4248 -9.4123 -9.4123 -9.0442 -9.0442 -6.9527 -6.9527 -5.8974 -5.8974 -5.8608 -5.8608 -4.4977 -4.4977 -3.7355 -3.7355 -0.1502 -0.1502 0.3276 0.3276 0.3673 0.3673 0.5771 0.5771 0.7861 0.7861 0.8394 0.8394 5.5350 5.5350 6.5306 6.5306 7.0760 7.0760 7.2678 7.2678 k = 0.0429-0.0614-0.0045 ( 6834 PWs) bands (ev): -20.5666 -20.5666 -20.3524 -20.3524 -14.2793 -14.2793 -11.5012 -11.5012 -11.4822 -11.4822 -11.3795 -11.3795 -9.7550 -9.7550 -9.4239 -9.4239 -9.4122 -9.4122 -9.0431 -9.0431 -6.9526 -6.9526 -5.8978 -5.8978 -5.8622 -5.8622 -4.4974 -4.4974 -3.7368 -3.7368 -0.1495 -0.1495 0.3177 0.3177 0.3712 0.3712 0.5711 0.5711 0.7833 0.7833 0.8403 0.8403 5.5463 5.5463 6.5430 6.5430 7.0853 7.0853 7.2829 7.2829 k = 0.0571-0.0819-0.0060 ( 6836 PWs) bands (ev): -20.5664 -20.5664 -20.3523 -20.3523 -14.2791 -14.2791 -11.5043 -11.5043 -11.4799 -11.4799 -11.3808 -11.3808 -9.7547 -9.7547 -9.4228 -9.4228 -9.4121 -9.4121 -9.0416 -9.0416 -6.9526 -6.9526 -5.8982 -5.8982 -5.8642 -5.8642 -4.4969 -4.4969 -3.7388 -3.7388 -0.1486 -0.1486 0.3060 0.3060 0.3746 0.3746 0.5633 0.5633 0.7790 0.7790 0.8415 0.8415 5.5620 5.5620 6.5601 6.5601 7.0985 7.0985 7.3037 7.3037 k = 0.0714-0.1024-0.0075 ( 6837 PWs) bands (ev): -20.5662 -20.5662 -20.3523 -20.3523 -14.2787 -14.2787 -11.5076 -11.5076 -11.4777 -11.4777 -11.3825 -11.3825 -9.7543 -9.7543 -9.4215 -9.4215 -9.4116 -9.4116 -9.0397 -9.0397 -6.9525 -6.9525 -5.8989 -5.8989 -5.8668 -5.8668 -4.4962 -4.4962 -3.7412 -3.7412 -0.1474 -0.1474 0.2925 0.2925 0.3774 0.3774 0.5540 0.5540 0.7734 0.7734 0.8431 0.8431 5.5820 5.5820 6.5814 6.5814 7.1157 7.1157 7.3298 7.3298 k = 0.0857-0.1229-0.0090 ( 6841 PWs) bands (ev): -20.5659 -20.5659 -20.3522 -20.3522 -14.2783 -14.2783 -11.5109 -11.5109 -11.4756 -11.4756 -11.3846 -11.3846 -9.7538 -9.7538 -9.4203 -9.4203 -9.4107 -9.4107 -9.0374 -9.0374 -6.9523 -6.9523 -5.8997 -5.8997 -5.8698 -5.8698 -4.4955 -4.4955 -3.7442 -3.7442 -0.1462 -0.1462 0.2776 0.2776 0.3794 0.3794 0.5435 0.5435 0.7663 0.7663 0.8447 0.8447 5.6063 5.6063 6.6065 6.6065 7.1372 7.1372 7.3611 7.3611 k = 0.1000-0.1434-0.0105 ( 6838 PWs) bands (ev): -20.5656 -20.5656 -20.3521 -20.3521 -14.2778 -14.2778 -11.5144 -11.5144 -11.4736 -11.4736 -11.3870 -11.3870 -9.7532 -9.7532 -9.4195 -9.4195 -9.4092 -9.4092 -9.0347 -9.0347 -6.9522 -6.9522 -5.9007 -5.9007 -5.8733 -5.8733 -4.4946 -4.4946 -3.7476 -3.7476 -0.1449 -0.1449 0.2611 0.2611 0.3806 0.3806 0.5322 0.5322 0.7580 0.7580 0.8463 0.8463 5.6348 5.6348 6.6350 6.6350 7.1631 7.1631 7.3968 7.3968 k = 0.1143-0.1638-0.0120 ( 6834 PWs) bands (ev): -20.5653 -20.5653 -20.3520 -20.3520 -14.2773 -14.2773 -11.5180 -11.5180 -11.4717 -11.4717 -11.3896 -11.3896 -9.7525 -9.7525 -9.4191 -9.4191 -9.4068 -9.4068 -9.0316 -9.0316 -6.9520 -6.9520 -5.9018 -5.9018 -5.8771 -5.8771 -4.4937 -4.4937 -3.7515 -3.7515 -0.1436 -0.1436 0.2433 0.2433 0.3811 0.3811 0.5205 0.5205 0.7486 0.7486 0.8476 0.8476 5.6673 5.6673 6.6664 6.6664 7.1934 7.1934 7.4365 7.4365 k = 0.1286-0.1843-0.0135 ( 6838 PWs) bands (ev): -20.5649 -20.5649 -20.3520 -20.3520 -14.2766 -14.2766 -11.5216 -11.5216 -11.4700 -11.4700 -11.3925 -11.3925 -9.7518 -9.7518 -9.4191 -9.4191 -9.4038 -9.4038 -9.0283 -9.0283 -6.9519 -6.9519 -5.9033 -5.9033 -5.8812 -5.8812 -4.4926 -4.4926 -3.7558 -3.7558 -0.1425 -0.1425 0.2242 0.2242 0.3808 0.3808 0.5088 0.5088 0.7384 0.7384 0.8485 0.8485 5.7036 5.7036 6.7001 6.7001 7.2281 7.2281 7.4795 7.4795 k = 0.1429-0.2048-0.0150 ( 6843 PWs) bands (ev): -20.5645 -20.5645 -20.3518 -20.3518 -14.2760 -14.2760 -11.5252 -11.5252 -11.4684 -11.4684 -11.3957 -11.3957 -9.7510 -9.7510 -9.4194 -9.4194 -9.4003 -9.4003 -9.0246 -9.0246 -6.9517 -6.9517 -5.9051 -5.9051 -5.8855 -5.8855 -4.4915 -4.4915 -3.7604 -3.7604 -0.1416 -0.1416 0.2041 0.2041 0.3796 0.3796 0.4973 0.4973 0.7274 0.7274 0.8488 0.8488 5.7436 5.7436 6.7356 6.7356 7.2673 7.2673 7.5247 7.5247 k = 0.1571-0.2253-0.0165 ( 6841 PWs) bands (ev): -20.5641 -20.5641 -20.3517 -20.3517 -14.2753 -14.2753 -11.5289 -11.5289 -11.4671 -11.4671 -11.3990 -11.3990 -9.7501 -9.7501 -9.4198 -9.4198 -9.3963 -9.3963 -9.0207 -9.0207 -6.9514 -6.9514 -5.9073 -5.9073 -5.8897 -5.8897 -4.4903 -4.4903 -3.7654 -3.7654 -0.1412 -0.1412 0.1831 0.1831 0.3776 0.3776 0.4864 0.4864 0.7159 0.7159 0.8486 0.8486 5.7870 5.7870 6.7725 6.7725 7.3107 7.3107 7.5711 7.5711 k = 0.1714-0.2458-0.0180 ( 6846 PWs) bands (ev): -20.5636 -20.5636 -20.3516 -20.3516 -14.2745 -14.2745 -11.5326 -11.5326 -11.4659 -11.4659 -11.4024 -11.4024 -9.7491 -9.7491 -9.4203 -9.4203 -9.3920 -9.3920 -9.0166 -9.0166 -6.9512 -6.9512 -5.9102 -5.9102 -5.8936 -5.8936 -4.4891 -4.4891 -3.7707 -3.7707 -0.1412 -0.1412 0.1614 0.1614 0.3747 0.3747 0.4763 0.4763 0.7041 0.7041 0.8476 0.8476 5.8337 5.8337 6.8104 6.8104 7.3580 7.3580 7.6170 7.6170 k = 0.1857-0.2663-0.0195 ( 6849 PWs) bands (ev): -20.5631 -20.5631 -20.3515 -20.3515 -14.2737 -14.2737 -11.5362 -11.5362 -11.4650 -11.4650 -11.4059 -11.4059 -9.7482 -9.7482 -9.4209 -9.4209 -9.3874 -9.3874 -9.0123 -9.0123 -6.9510 -6.9510 -5.9139 -5.9139 -5.8971 -5.8971 -4.4879 -4.4879 -3.7763 -3.7763 -0.1420 -0.1420 0.1393 0.1393 0.3708 0.3708 0.4674 0.4674 0.6921 0.6921 0.8459 0.8459 5.8833 5.8833 6.8488 6.8488 7.4088 7.4088 7.6606 7.6606 k = 0.2000-0.2867-0.0210 ( 6851 PWs) bands (ev): -20.5626 -20.5626 -20.3514 -20.3514 -14.2729 -14.2729 -11.5399 -11.5399 -11.4643 -11.4643 -11.4094 -11.4094 -9.7472 -9.7472 -9.4216 -9.4216 -9.3826 -9.3826 -9.0078 -9.0078 -6.9507 -6.9507 -5.9185 -5.9185 -5.9000 -5.9000 -4.4866 -4.4866 -3.7821 -3.7821 -0.1436 -0.1436 0.1171 0.1171 0.3660 0.3660 0.4598 0.4598 0.6801 0.6801 0.8434 0.8434 5.9357 5.9357 6.8877 6.8877 7.4627 7.4627 7.6998 7.6998 k = 0.2143-0.3072-0.0225 ( 6850 PWs) bands (ev): -20.5620 -20.5620 -20.3512 -20.3512 -14.2720 -14.2720 -11.5434 -11.5434 -11.4639 -11.4639 -11.4128 -11.4128 -9.7461 -9.7461 -9.4222 -9.4222 -9.3776 -9.3776 -9.0033 -9.0033 -6.9505 -6.9505 -5.9236 -5.9236 -5.9025 -5.9025 -4.4854 -4.4854 -3.7880 -3.7880 -0.1462 -0.1462 0.0950 0.0950 0.3603 0.3603 0.4536 0.4536 0.6682 0.6682 0.8403 0.8403 5.9904 5.9904 6.9266 6.9266 7.5188 7.5188 7.7324 7.7324 k = 0.2286-0.3277-0.0240 ( 6856 PWs) bands (ev): -20.5615 -20.5615 -20.3511 -20.3511 -14.2712 -14.2712 -11.5469 -11.5469 -11.4640 -11.4640 -11.4160 -11.4160 -9.7451 -9.7451 -9.4229 -9.4229 -9.3724 -9.3724 -8.9986 -8.9986 -6.9502 -6.9502 -5.9293 -5.9293 -5.9046 -5.9046 -4.4841 -4.4841 -3.7940 -3.7940 -0.1500 -0.1500 0.0733 0.0733 0.3539 0.3539 0.4490 0.4490 0.6564 0.6564 0.8364 0.8364 6.0471 6.0471 6.9656 6.9656 7.5765 7.5765 7.7571 7.7571 k = 0.2429-0.3482-0.0255 ( 6854 PWs) bands (ev): -20.5609 -20.5609 -20.3510 -20.3510 -14.2703 -14.2703 -11.5504 -11.5504 -11.4644 -11.4644 -11.4189 -11.4189 -9.7440 -9.7440 -9.4236 -9.4236 -9.3672 -9.3672 -8.9940 -8.9940 -6.9500 -6.9500 -5.9352 -5.9352 -5.9065 -5.9065 -4.4829 -4.4829 -3.8001 -3.8001 -0.1550 -0.1550 0.0522 0.0522 0.3473 0.3473 0.4457 0.4457 0.6448 0.6448 0.8319 0.8319 6.1056 6.1056 7.0044 7.0044 7.6347 7.6347 7.7735 7.7735 k = 0.2571-0.3687-0.0270 ( 6851 PWs) bands (ev): -20.5604 -20.5604 -20.3508 -20.3508 -14.2694 -14.2694 -11.5537 -11.5537 -11.4653 -11.4653 -11.4215 -11.4215 -9.7429 -9.7429 -9.4243 -9.4243 -9.3620 -9.3620 -8.9893 -8.9893 -6.9497 -6.9497 -5.9413 -5.9413 -5.9083 -5.9083 -4.4817 -4.4817 -3.8062 -3.8062 -0.1614 -0.1614 0.0319 0.0319 0.3406 0.3406 0.4436 0.4436 0.6336 0.6336 0.8267 0.8267 6.1653 6.1653 7.0429 7.0429 7.6915 7.6915 7.7833 7.7833 k = 0.2714-0.3891-0.0285 ( 6854 PWs) bands (ev): -20.5598 -20.5598 -20.3507 -20.3507 -14.2685 -14.2685 -11.5569 -11.5569 -11.4667 -11.4667 -11.4236 -11.4236 -9.7418 -9.7418 -9.4250 -9.4250 -9.3568 -9.3568 -8.9847 -8.9847 -6.9494 -6.9494 -5.9474 -5.9474 -5.9100 -5.9100 -4.4805 -4.4805 -3.8123 -3.8123 -0.1691 -0.1691 0.0126 0.0126 0.3341 0.3341 0.4426 0.4426 0.6227 0.6227 0.8210 0.8210 6.2261 6.2261 7.0810 7.0810 7.7393 7.7393 7.7944 7.7944 k = 0.2857-0.4096-0.0300 ( 6854 PWs) bands (ev): -20.5593 -20.5593 -20.3506 -20.3506 -14.2676 -14.2676 -11.5599 -11.5599 -11.4686 -11.4686 -11.4254 -11.4254 -9.7407 -9.7407 -9.4257 -9.4257 -9.3516 -9.3516 -8.9801 -8.9801 -6.9492 -6.9492 -5.9535 -5.9535 -5.9116 -5.9116 -4.4794 -4.4794 -3.8183 -3.8183 -0.1781 -0.1781 -0.0057 -0.0057 0.3282 0.3282 0.4425 0.4425 0.6123 0.6123 0.8147 0.8147 6.2873 6.2873 7.1185 7.1185 7.7555 7.7555 7.8301 7.8301 k = 0.3000-0.4301-0.0315 ( 6854 PWs) bands (ev): -20.5587 -20.5587 -20.3505 -20.3505 -14.2668 -14.2668 -11.5628 -11.5628 -11.4709 -11.4709 -11.4267 -11.4267 -9.7397 -9.7397 -9.4263 -9.4263 -9.3466 -9.3466 -8.9757 -8.9757 -6.9489 -6.9489 -5.9595 -5.9595 -5.9131 -5.9131 -4.4783 -4.4783 -3.8241 -3.8241 -0.1882 -0.1882 -0.0228 -0.0228 0.3230 0.3230 0.4431 0.4431 0.6023 0.6023 0.8080 0.8080 6.3487 6.3487 7.1553 7.1553 7.7491 7.7491 7.8822 7.8822 k = 0.3143-0.4506-0.0330 ( 6845 PWs) bands (ev): -20.5582 -20.5582 -20.3503 -20.3503 -14.2659 -14.2659 -11.5655 -11.5655 -11.4736 -11.4736 -11.4276 -11.4276 -9.7387 -9.7387 -9.4269 -9.4269 -9.3416 -9.3416 -8.9714 -8.9714 -6.9486 -6.9486 -5.9653 -5.9653 -5.9146 -5.9146 -4.4773 -4.4773 -3.8298 -3.8298 -0.1991 -0.1991 -0.0388 -0.0388 0.3186 0.3186 0.4443 0.4443 0.5928 0.5928 0.8010 0.8010 6.4098 6.4098 7.1912 7.1912 7.7352 7.7352 7.9362 7.9362 k = 0.3286-0.4711-0.0345 ( 6844 PWs) bands (ev): -20.5577 -20.5577 -20.3502 -20.3502 -14.2651 -14.2651 -11.5681 -11.5681 -11.4765 -11.4765 -11.4282 -11.4282 -9.7377 -9.7377 -9.4275 -9.4275 -9.3369 -9.3369 -8.9673 -8.9673 -6.9484 -6.9484 -5.9709 -5.9709 -5.9160 -5.9160 -4.4764 -4.4764 -3.8352 -3.8352 -0.2106 -0.2106 -0.0536 -0.0536 0.3151 0.3151 0.4460 0.4460 0.5839 0.5839 0.7936 0.7936 6.4700 6.4700 7.2259 7.2259 7.7173 7.7173 7.9891 7.9891 k = 0.3429-0.4915-0.0360 ( 6848 PWs) bands (ev): -20.5572 -20.5572 -20.3501 -20.3501 -14.2644 -14.2644 -11.5705 -11.5705 -11.4795 -11.4795 -11.4285 -11.4285 -9.7368 -9.7368 -9.4281 -9.4281 -9.3323 -9.3323 -8.9633 -8.9633 -6.9482 -6.9482 -5.9762 -5.9762 -5.9173 -5.9173 -4.4755 -4.4755 -3.8404 -3.8404 -0.2224 -0.2224 -0.0675 -0.0675 0.3124 0.3124 0.4480 0.4480 0.5757 0.5757 0.7860 0.7860 6.5291 6.5291 7.2592 7.2592 7.6968 7.6968 8.0399 8.0399 k = 0.3571-0.5120-0.0375 ( 6854 PWs) bands (ev): -20.5568 -20.5568 -20.3500 -20.3500 -14.2637 -14.2637 -11.5726 -11.5726 -11.4826 -11.4826 -11.4287 -11.4287 -9.7359 -9.7359 -9.4286 -9.4286 -9.3281 -9.3281 -8.9597 -8.9597 -6.9480 -6.9480 -5.9812 -5.9812 -5.9186 -5.9186 -4.4747 -4.4747 -3.8453 -3.8453 -0.2341 -0.2341 -0.0802 -0.0802 0.3105 0.3105 0.4502 0.4502 0.5683 0.5683 0.7784 0.7784 6.5865 6.5865 7.2908 7.2908 7.6744 7.6744 8.0882 8.0882 k = 0.3714-0.5325-0.0390 ( 6862 PWs) bands (ev): -20.5564 -20.5564 -20.3499 -20.3499 -14.2630 -14.2630 -11.5746 -11.5746 -11.4856 -11.4856 -11.4288 -11.4288 -9.7351 -9.7351 -9.4291 -9.4291 -9.3241 -9.3241 -8.9563 -8.9563 -6.9478 -6.9478 -5.9859 -5.9859 -5.9197 -5.9197 -4.4740 -4.4740 -3.8498 -3.8498 -0.2455 -0.2455 -0.0920 -0.0920 0.3094 0.3094 0.4524 0.4524 0.5617 0.5617 0.7708 0.7708 6.6418 6.6418 7.3205 7.3205 7.6506 7.6506 8.1336 8.1336 k = 0.3857-0.5530-0.0405 ( 6857 PWs) bands (ev): -20.5560 -20.5560 -20.3498 -20.3498 -14.2624 -14.2624 -11.5763 -11.5763 -11.4885 -11.4885 -11.4287 -11.4287 -9.7343 -9.7343 -9.4295 -9.4295 -9.3204 -9.3204 -8.9532 -8.9532 -6.9476 -6.9476 -5.9901 -5.9901 -5.9208 -5.9208 -4.4734 -4.4734 -3.8540 -3.8540 -0.2563 -0.2563 -0.1027 -0.1027 0.3088 0.3088 0.4545 0.4545 0.5560 0.5560 0.7633 0.7633 6.6945 6.6945 7.3479 7.3479 7.6262 7.6262 8.1758 8.1758 k = 0.4000-0.5735-0.0420 ( 6862 PWs) bands (ev): -20.5556 -20.5556 -20.3497 -20.3497 -14.2618 -14.2618 -11.5779 -11.5779 -11.4912 -11.4912 -11.4286 -11.4286 -9.7336 -9.7336 -9.4299 -9.4299 -9.3171 -9.3171 -8.9504 -8.9504 -6.9474 -6.9474 -5.9940 -5.9940 -5.9218 -5.9218 -4.4728 -4.4728 -3.8577 -3.8577 -0.2663 -0.2663 -0.1123 -0.1123 0.3088 0.3088 0.4563 0.4563 0.5514 0.5514 0.7561 0.7561 6.7440 6.7440 7.3729 7.3729 7.6015 7.6015 8.2145 8.2145 k = 0.4143-0.5939-0.0435 ( 6860 PWs) bands (ev): -20.5553 -20.5553 -20.3496 -20.3496 -14.2613 -14.2613 -11.5792 -11.5792 -11.4936 -11.4936 -11.4285 -11.4285 -9.7330 -9.7330 -9.4302 -9.4302 -9.3142 -9.3142 -8.9479 -8.9479 -6.9472 -6.9472 -5.9974 -5.9974 -5.9227 -5.9227 -4.4723 -4.4723 -3.8610 -3.8610 -0.2753 -0.2753 -0.1208 -0.1208 0.3091 0.3091 0.4578 0.4578 0.5478 0.5478 0.7493 0.7493 6.7897 6.7897 7.3951 7.3951 7.5772 7.5772 8.2494 8.2494 k = 0.4286-0.6144-0.0450 ( 6857 PWs) bands (ev): -20.5551 -20.5551 -20.3496 -20.3496 -14.2609 -14.2609 -11.5803 -11.5803 -11.4958 -11.4958 -11.4283 -11.4283 -9.7325 -9.7325 -9.4305 -9.4305 -9.3117 -9.3117 -8.9458 -8.9458 -6.9471 -6.9471 -6.0003 -6.0003 -5.9234 -5.9234 -4.4719 -4.4719 -3.8639 -3.8639 -0.2831 -0.2831 -0.1281 -0.1281 0.3096 0.3096 0.4588 0.4588 0.5453 0.5453 0.7431 0.7431 6.8310 6.8310 7.4144 7.4144 7.5540 7.5540 8.2800 8.2800 k = 0.4429-0.6349-0.0465 ( 6856 PWs) bands (ev): -20.5548 -20.5548 -20.3495 -20.3495 -14.2606 -14.2606 -11.5812 -11.5812 -11.4976 -11.4976 -11.4282 -11.4282 -9.7321 -9.7321 -9.4307 -9.4307 -9.3096 -9.3096 -8.9440 -8.9440 -6.9470 -6.9470 -6.0027 -6.0027 -5.9240 -5.9240 -4.4716 -4.4716 -3.8662 -3.8662 -0.2897 -0.2897 -0.1342 -0.1342 0.3102 0.3102 0.4594 0.4594 0.5436 0.5436 0.7378 0.7378 6.8670 6.8670 7.4305 7.4305 7.5326 7.5326 8.3060 8.3060 k = 0.4571-0.6554-0.0480 ( 6860 PWs) bands (ev): -20.5547 -20.5547 -20.3495 -20.3495 -14.2603 -14.2603 -11.5820 -11.5820 -11.4991 -11.4991 -11.4281 -11.4281 -9.7318 -9.7318 -9.4309 -9.4309 -9.3080 -9.3080 -8.9426 -8.9426 -6.9469 -6.9469 -6.0046 -6.0046 -5.9245 -5.9245 -4.4713 -4.4713 -3.8681 -3.8681 -0.2949 -0.2949 -0.1390 -0.1390 0.3109 0.3109 0.4596 0.4596 0.5426 0.5426 0.7333 0.7333 6.8967 6.8967 7.4434 7.4434 7.5140 7.5140 8.3268 8.3268 k = 0.4714-0.6759-0.0495 ( 6861 PWs) bands (ev): -20.5545 -20.5545 -20.3495 -20.3495 -14.2601 -14.2601 -11.5825 -11.5825 -11.5001 -11.5001 -11.4280 -11.4280 -9.7315 -9.7315 -9.4311 -9.4311 -9.3068 -9.3068 -8.9416 -8.9416 -6.9469 -6.9469 -6.0059 -6.0059 -5.9249 -5.9249 -4.4711 -4.4711 -3.8694 -3.8694 -0.2986 -0.2986 -0.1425 -0.1425 0.3114 0.3114 0.4597 0.4597 0.5422 0.5422 0.7301 0.7301 6.9191 6.9191 7.4531 7.4531 7.4992 7.4992 8.3421 8.3421 k = 0.4857-0.6964-0.0510 ( 6864 PWs) bands (ev): -20.5545 -20.5545 -20.3495 -20.3495 -14.2600 -14.2600 -11.5828 -11.5828 -11.5008 -11.5008 -11.4280 -11.4280 -9.7314 -9.7314 -9.4311 -9.4311 -9.3061 -9.3061 -8.9410 -8.9410 -6.9468 -6.9468 -6.0067 -6.0067 -5.9251 -5.9251 -4.4710 -4.4710 -3.8702 -3.8702 -0.3009 -0.3009 -0.1446 -0.1446 0.3117 0.3117 0.4596 0.4596 0.5420 0.5420 0.7280 0.7280 6.9330 6.9330 7.4594 7.4594 7.4893 7.4893 8.3514 8.3514 k = 0.5000-0.7168-0.0525 ( 6864 PWs) bands (ev): -20.5544 -20.5544 -20.3495 -20.3495 -14.2599 -14.2599 -11.5829 -11.5829 -11.5010 -11.5010 -11.4279 -11.4279 -9.7313 -9.7313 -9.4312 -9.4312 -9.3058 -9.3058 -8.9408 -8.9408 -6.9468 -6.9468 -6.0070 -6.0070 -5.9251 -5.9251 -4.4710 -4.4710 -3.8705 -3.8705 -0.3017 -0.3017 -0.1453 -0.1453 0.3119 0.3119 0.4596 0.4596 0.5419 0.5419 0.7273 0.7273 6.9378 6.9378 7.4618 7.4618 7.4857 7.4857 8.3546 8.3546 k = 0.5000-0.7168 0.7882 ( 6874 PWs) bands (ev): -20.5458 -20.5458 -20.3456 -20.3456 -14.1888 -14.1888 -11.6566 -11.6566 -11.4425 -11.4425 -11.4147 -11.4147 -9.7792 -9.7792 -9.4836 -9.4836 -9.4411 -9.4411 -9.0845 -9.0845 -7.1499 -7.1499 -5.8486 -5.8486 -5.8158 -5.8158 -4.1075 -4.1075 -4.0465 -4.0465 -0.1268 -0.1268 -0.0998 -0.0998 0.3581 0.3581 0.3750 0.3750 0.5731 0.5731 0.6479 0.6479 7.2219 7.2219 7.9056 7.9056 8.1658 8.1658 8.1998 8.1998 k = 0.4894-0.7016 0.7714 ( 6872 PWs) bands (ev): -20.5458 -20.5458 -20.3457 -20.3457 -14.1889 -14.1889 -11.6570 -11.6570 -11.4425 -11.4425 -11.4145 -11.4145 -9.7790 -9.7790 -9.4832 -9.4832 -9.4410 -9.4410 -9.0842 -9.0842 -7.1498 -7.1498 -5.8487 -5.8487 -5.8159 -5.8159 -4.1071 -4.1071 -4.0470 -4.0470 -0.1267 -0.1267 -0.0996 -0.0996 0.3567 0.3567 0.3760 0.3760 0.5717 0.5717 0.6488 0.6488 7.2235 7.2235 7.9032 7.9032 8.1614 8.1614 8.2041 8.2041 k = 0.4787-0.6863 0.7546 ( 6874 PWs) bands (ev): -20.5459 -20.5459 -20.3457 -20.3457 -14.1893 -14.1893 -11.6584 -11.6584 -11.4422 -11.4422 -11.4139 -11.4139 -9.7784 -9.7784 -9.4820 -9.4820 -9.4409 -9.4409 -9.0836 -9.0836 -7.1493 -7.1493 -5.8490 -5.8490 -5.8162 -5.8162 -4.1060 -4.1060 -4.0486 -4.0486 -0.1262 -0.1262 -0.0992 -0.0992 0.3532 0.3532 0.3783 0.3783 0.5678 0.5678 0.6514 0.6514 7.2281 7.2281 7.8965 7.8965 8.1509 8.1509 8.2141 8.2141 k = 0.4681-0.6711 0.7379 ( 6874 PWs) bands (ev): -20.5460 -20.5460 -20.3457 -20.3457 -14.1898 -14.1898 -11.6606 -11.6606 -11.4420 -11.4420 -11.4128 -11.4128 -9.7773 -9.7773 -9.4801 -9.4801 -9.4408 -9.4408 -9.0824 -9.0824 -7.1485 -7.1485 -5.8495 -5.8495 -5.8166 -5.8166 -4.1042 -4.1042 -4.0512 -4.0512 -0.1255 -0.1255 -0.0986 -0.0986 0.3483 0.3483 0.3813 0.3813 0.5617 0.5617 0.6552 0.6552 7.2357 7.2357 7.8861 7.8861 8.1363 8.1363 8.2265 8.2265 k = 0.4574-0.6558 0.7211 ( 6870 PWs) bands (ev): -20.5461 -20.5461 -20.3457 -20.3457 -14.1905 -14.1905 -11.6635 -11.6635 -11.4419 -11.4419 -11.4111 -11.4111 -9.7759 -9.7759 -9.4774 -9.4774 -9.4406 -9.4406 -9.0808 -9.0808 -7.1474 -7.1474 -5.8501 -5.8501 -5.8172 -5.8172 -4.1017 -4.1017 -4.0548 -4.0548 -0.1244 -0.1244 -0.0977 -0.0977 0.3425 0.3425 0.3846 0.3846 0.5540 0.5540 0.6599 0.6599 7.2459 7.2459 7.8733 7.8733 8.1176 8.1176 8.2396 8.2396 k = 0.4468-0.6406 0.7043 ( 6869 PWs) bands (ev): -20.5463 -20.5463 -20.3458 -20.3458 -14.1914 -14.1914 -11.6671 -11.6671 -11.4421 -11.4421 -11.4087 -11.4087 -9.7741 -9.7741 -9.4740 -9.4740 -9.4404 -9.4404 -9.0788 -9.0788 -7.1460 -7.1460 -5.8510 -5.8510 -5.8180 -5.8180 -4.0985 -4.0985 -4.0594 -4.0594 -0.1231 -0.1231 -0.0966 -0.0966 0.3359 0.3359 0.3880 0.3880 0.5450 0.5450 0.6651 0.6651 7.2584 7.2584 7.8591 7.8591 8.0940 8.0940 8.2520 8.2520 k = 0.4362-0.6253 0.6876 ( 6863 PWs) bands (ev): -20.5466 -20.5466 -20.3459 -20.3459 -14.1925 -14.1925 -11.6712 -11.6712 -11.4426 -11.4426 -11.4057 -11.4057 -9.7719 -9.7719 -9.4700 -9.4700 -9.4400 -9.4400 -9.0764 -9.0764 -7.1442 -7.1442 -5.8520 -5.8520 -5.8190 -5.8190 -4.0948 -4.0948 -4.0648 -4.0648 -0.1215 -0.1215 -0.0952 -0.0952 0.3288 0.3288 0.3917 0.3917 0.5350 0.5350 0.6708 0.6708 7.2726 7.2726 7.8444 7.8444 8.0651 8.0651 8.2624 8.2624 k = 0.4255-0.6101 0.6708 ( 6865 PWs) bands (ev): -20.5468 -20.5468 -20.3459 -20.3459 -14.1938 -14.1938 -11.6757 -11.6757 -11.4435 -11.4435 -11.4021 -11.4021 -9.7694 -9.7694 -9.4655 -9.4655 -9.4396 -9.4396 -9.0736 -9.0736 -7.1422 -7.1422 -5.8531 -5.8531 -5.8201 -5.8201 -4.0909 -4.0909 -4.0706 -4.0706 -0.1197 -0.1197 -0.0936 -0.0936 0.3213 0.3213 0.3954 0.3954 0.5244 0.5244 0.6767 0.6767 7.2881 7.2881 7.8298 7.8298 8.0307 8.0307 8.2694 8.2694 k = 0.4149-0.5948 0.6540 ( 6862 PWs) bands (ev): -20.5471 -20.5471 -20.3460 -20.3460 -14.1952 -14.1952 -11.6805 -11.6805 -11.4447 -11.4447 -11.3979 -11.3979 -9.7667 -9.7667 -9.4605 -9.4605 -9.4392 -9.4392 -9.0705 -9.0705 -7.1398 -7.1398 -5.8544 -5.8544 -5.8213 -5.8213 -4.0884 -4.0884 -4.0752 -4.0752 -0.1178 -0.1178 -0.0917 -0.0917 0.3135 0.3135 0.3994 0.3994 0.5132 0.5132 0.6827 0.6827 7.3041 7.3041 7.8156 7.8156 7.9909 7.9909 8.2717 8.2717 k = 0.4043-0.5796 0.6372 ( 6868 PWs) bands (ev): -20.5475 -20.5475 -20.3461 -20.3461 -14.1969 -14.1969 -11.6854 -11.6854 -11.4461 -11.4461 -11.3934 -11.3934 -9.7638 -9.7638 -9.4552 -9.4552 -9.4385 -9.4385 -9.0671 -9.0671 -7.1372 -7.1372 -5.8557 -5.8557 -5.8227 -5.8227 -4.0919 -4.0919 -4.0742 -4.0742 -0.1158 -0.1158 -0.0896 -0.0896 0.3056 0.3056 0.4035 0.4035 0.5018 0.5018 0.6890 0.6890 7.3201 7.3201 7.8013 7.8013 7.9468 7.9468 8.2686 8.2686 k = 0.3936-0.5643 0.6205 ( 6862 PWs) bands (ev): -20.5479 -20.5479 -20.3462 -20.3462 -14.1987 -14.1987 -11.6903 -11.6903 -11.4478 -11.4478 -11.3887 -11.3887 -9.7607 -9.7607 -9.4497 -9.4497 -9.4377 -9.4377 -9.0635 -9.0635 -7.1342 -7.1342 -5.8572 -5.8572 -5.8243 -5.8243 -4.0998 -4.0998 -4.0688 -4.0688 -0.1138 -0.1138 -0.0871 -0.0871 0.2978 0.2978 0.4077 0.4077 0.4904 0.4904 0.6954 0.6954 7.3352 7.3352 7.7847 7.7847 7.9013 7.9013 8.2596 8.2596 k = 0.3830-0.5491 0.6037 ( 6856 PWs) bands (ev): -20.5483 -20.5483 -20.3463 -20.3463 -14.2007 -14.2007 -11.6951 -11.6951 -11.4496 -11.4496 -11.3837 -11.3837 -9.7575 -9.7575 -9.4446 -9.4446 -9.4361 -9.4361 -9.0598 -9.0598 -7.1309 -7.1309 -5.8586 -5.8586 -5.8260 -5.8260 -4.1094 -4.1094 -4.0619 -4.0619 -0.1121 -0.1121 -0.0841 -0.0841 0.2904 0.2904 0.4118 0.4118 0.4793 0.4793 0.7019 0.7019 7.3488 7.3488 7.7595 7.7595 7.8615 7.8615 8.2448 8.2448 k = 0.3723-0.5338 0.5869 ( 6857 PWs) bands (ev): -20.5488 -20.5488 -20.3465 -20.3465 -14.2028 -14.2028 -11.6997 -11.6997 -11.4514 -11.4514 -11.3787 -11.3787 -9.7543 -9.7543 -9.4410 -9.4410 -9.4330 -9.4330 -9.0559 -9.0559 -7.1273 -7.1273 -5.8602 -5.8602 -5.8278 -5.8278 -4.1200 -4.1200 -4.0542 -4.0542 -0.1108 -0.1108 -0.0805 -0.0805 0.2836 0.2836 0.4153 0.4153 0.4692 0.4692 0.7086 0.7086 7.3602 7.3602 7.7173 7.7173 7.8366 7.8366 8.2248 8.2248 k = 0.3617-0.5186 0.5702 ( 6853 PWs) bands (ev): -20.5492 -20.5492 -20.3466 -20.3466 -14.2051 -14.2051 -11.7041 -11.7041 -11.4532 -11.4532 -11.3737 -11.3737 -9.7510 -9.7510 -9.4391 -9.4391 -9.4279 -9.4279 -9.0520 -9.0520 -7.1234 -7.1234 -5.8617 -5.8617 -5.8297 -5.8297 -4.1314 -4.1314 -4.0459 -4.0459 -0.1100 -0.1100 -0.0762 -0.0762 0.2777 0.2777 0.4173 0.4173 0.4611 0.4611 0.7155 0.7155 7.3686 7.3686 7.6596 7.6596 7.8260 7.8260 8.2005 8.2005 k = 0.3511-0.5033 0.5534 ( 6851 PWs) bands (ev): -20.5498 -20.5498 -20.3468 -20.3468 -14.2075 -14.2075 -11.7080 -11.7080 -11.4549 -11.4549 -11.3689 -11.3689 -9.7477 -9.7477 -9.4379 -9.4379 -9.4221 -9.4221 -9.0481 -9.0481 -7.1193 -7.1193 -5.8632 -5.8632 -5.8317 -5.8317 -4.1434 -4.1434 -4.0369 -4.0369 -0.1098 -0.1098 -0.0713 -0.0713 0.2728 0.2728 0.4161 0.4161 0.4569 0.4569 0.7224 0.7224 7.3732 7.3732 7.5934 7.5934 7.8238 7.8238 8.1724 8.1724 k = 0.3404-0.4881 0.5366 ( 6850 PWs) bands (ev): -20.5503 -20.5503 -20.3469 -20.3469 -14.2100 -14.2100 -11.7115 -11.7115 -11.4565 -11.4565 -11.3641 -11.3641 -9.7446 -9.7446 -9.4371 -9.4371 -9.4162 -9.4162 -9.0442 -9.0442 -7.1148 -7.1148 -5.8647 -5.8647 -5.8338 -5.8338 -4.1560 -4.1560 -4.0274 -4.0274 -0.1103 -0.1103 -0.0656 -0.0656 0.2691 0.2691 0.4109 0.4109 0.4575 0.4575 0.7295 0.7295 7.3722 7.3722 7.5239 7.5239 7.8266 7.8266 8.1415 8.1415 k = 0.3298-0.4728 0.5199 ( 6853 PWs) bands (ev): -20.5509 -20.5509 -20.3471 -20.3471 -14.2126 -14.2126 -11.7146 -11.7146 -11.4579 -11.4579 -11.3596 -11.3596 -9.7415 -9.7415 -9.4363 -9.4363 -9.4103 -9.4103 -9.0404 -9.0404 -7.1101 -7.1101 -5.8661 -5.8661 -5.8360 -5.8360 -4.1692 -4.1692 -4.0175 -4.0175 -0.1113 -0.1113 -0.0591 -0.0591 0.2669 0.2669 0.4030 0.4030 0.4617 0.4617 0.7368 0.7368 7.3602 7.3602 7.4584 7.4584 7.8327 7.8327 8.1081 8.1081 k = 0.3191-0.4576 0.5031 ( 6851 PWs) bands (ev): -20.5515 -20.5515 -20.3473 -20.3473 -14.2154 -14.2154 -11.7170 -11.7170 -11.4590 -11.4590 -11.3553 -11.3553 -9.7387 -9.7387 -9.4355 -9.4355 -9.4047 -9.4047 -9.0368 -9.0368 -7.1051 -7.1051 -5.8674 -5.8674 -5.8383 -5.8383 -4.1827 -4.1827 -4.0071 -4.0071 -0.1128 -0.1128 -0.0520 -0.0520 0.2661 0.2661 0.3940 0.3940 0.4680 0.4680 0.7441 0.7441 7.3213 7.3213 7.4135 7.4135 7.8415 7.8415 8.0729 8.0729 k = 0.3085-0.4423 0.4863 ( 6853 PWs) bands (ev): -20.5521 -20.5521 -20.3474 -20.3474 -14.2182 -14.2182 -11.7188 -11.7188 -11.4599 -11.4599 -11.3513 -11.3513 -9.7360 -9.7360 -9.4347 -9.4347 -9.3995 -9.3995 -9.0335 -9.0335 -7.0999 -7.0999 -5.8687 -5.8687 -5.8406 -5.8406 -4.1966 -4.1966 -3.9963 -3.9963 -0.1147 -0.1147 -0.0443 -0.0443 0.2669 0.2669 0.3849 0.3849 0.4757 0.4757 0.7515 0.7515 7.2539 7.2539 7.3916 7.3916 7.8525 7.8525 8.0361 8.0361 k = 0.2979-0.4271 0.4695 ( 6859 PWs) bands (ev): -20.5528 -20.5528 -20.3476 -20.3476 -14.2210 -14.2210 -11.7199 -11.7199 -11.4605 -11.4605 -11.3477 -11.3477 -9.7336 -9.7336 -9.4340 -9.4340 -9.3947 -9.3947 -9.0304 -9.0304 -7.0945 -7.0945 -5.8698 -5.8698 -5.8430 -5.8430 -4.2109 -4.2109 -3.9851 -3.9851 -0.1169 -0.1169 -0.0360 -0.0360 0.2693 0.2693 0.3760 0.3760 0.4844 0.4844 0.7590 0.7590 7.1756 7.1756 7.3754 7.3754 7.8652 7.8652 7.9981 7.9981 k = 0.2872-0.4118 0.4528 ( 6863 PWs) bands (ev): -20.5534 -20.5534 -20.3479 -20.3479 -14.2240 -14.2240 -11.7204 -11.7204 -11.4608 -11.4608 -11.3445 -11.3445 -9.7314 -9.7314 -9.4332 -9.4332 -9.3903 -9.3903 -9.0277 -9.0277 -7.0888 -7.0888 -5.8708 -5.8708 -5.8454 -5.8454 -4.2253 -4.2253 -3.9736 -3.9736 -0.1192 -0.1192 -0.0272 -0.0272 0.2731 0.2731 0.3679 0.3679 0.4937 0.4937 0.7665 0.7665 7.0935 7.0935 7.3581 7.3581 7.8795 7.8795 7.9592 7.9592 k = 0.2766-0.3965 0.4360 ( 6862 PWs) bands (ev): -20.5541 -20.5541 -20.3481 -20.3481 -14.2270 -14.2270 -11.7201 -11.7201 -11.4608 -11.4608 -11.3416 -11.3416 -9.7295 -9.7295 -9.4324 -9.4324 -9.3865 -9.3865 -9.0252 -9.0252 -7.0828 -7.0828 -5.8717 -5.8717 -5.8478 -5.8478 -4.2400 -4.2400 -3.9618 -3.9618 -0.1217 -0.1217 -0.0178 -0.0178 0.2784 0.2784 0.3607 0.3607 0.5038 0.5038 0.7739 0.7739 7.0098 7.0098 7.3381 7.3381 7.8940 7.8940 7.9206 7.9206 k = 0.2660-0.3813 0.4192 ( 6854 PWs) bands (ev): -20.5548 -20.5548 -20.3483 -20.3483 -14.2300 -14.2300 -11.7190 -11.7190 -11.4603 -11.4603 -11.3392 -11.3392 -9.7279 -9.7279 -9.4316 -9.4316 -9.3833 -9.3833 -9.0232 -9.0232 -7.0767 -7.0767 -5.8724 -5.8724 -5.8503 -5.8503 -4.2547 -4.2547 -3.9498 -3.9498 -0.1240 -0.1240 -0.0079 -0.0079 0.2850 0.2850 0.3545 0.3545 0.5144 0.5144 0.7813 0.7813 6.9254 6.9254 7.3146 7.3146 7.8755 7.8755 7.9158 7.9158 k = 0.2553-0.3660 0.4025 ( 6857 PWs) bands (ev): -20.5555 -20.5555 -20.3485 -20.3485 -14.2330 -14.2330 -11.7172 -11.7172 -11.4596 -11.4596 -11.3372 -11.3372 -9.7267 -9.7267 -9.4309 -9.4309 -9.3807 -9.3807 -9.0215 -9.0215 -7.0704 -7.0704 -5.8731 -5.8731 -5.8527 -5.8527 -4.2695 -4.2695 -3.9376 -3.9376 -0.1262 -0.1262 0.0024 0.0024 0.2927 0.2927 0.3497 0.3497 0.5256 0.5256 0.7886 0.7886 6.8409 6.8409 7.2876 7.2876 7.8342 7.8342 7.9342 7.9342 k = 0.2447-0.3508 0.3857 ( 6851 PWs) bands (ev): -20.5562 -20.5562 -20.3487 -20.3487 -14.2360 -14.2360 -11.7146 -11.7146 -11.4584 -11.4584 -11.3358 -11.3358 -9.7258 -9.7258 -9.4300 -9.4300 -9.3788 -9.3788 -9.0203 -9.0203 -7.0640 -7.0640 -5.8736 -5.8736 -5.8551 -5.8551 -4.2843 -4.2843 -3.9253 -3.9253 -0.1282 -0.1282 0.0132 0.0132 0.3013 0.3013 0.3465 0.3465 0.5373 0.5373 0.7957 0.7957 6.7567 6.7567 7.2572 7.2572 7.7915 7.7915 7.9549 7.9549 k = 0.2340-0.3355 0.3689 ( 6844 PWs) bands (ev): -20.5569 -20.5569 -20.3489 -20.3489 -14.2391 -14.2391 -11.7112 -11.7112 -11.4569 -11.4569 -11.3349 -11.3349 -9.7252 -9.7252 -9.4292 -9.4292 -9.3774 -9.3774 -9.0194 -9.0194 -7.0575 -7.0575 -5.8740 -5.8740 -5.8574 -5.8574 -4.2990 -4.2990 -3.9128 -3.9128 -0.1300 -0.1300 0.0246 0.0246 0.3101 0.3101 0.3453 0.3453 0.5494 0.5494 0.8027 0.8027 6.6730 6.6730 7.2236 7.2236 7.7478 7.7478 7.9772 7.9772 k = 0.2234-0.3203 0.3522 ( 6846 PWs) bands (ev): -20.5576 -20.5576 -20.3492 -20.3492 -14.2421 -14.2421 -11.7069 -11.7069 -11.4551 -11.4551 -11.3345 -11.3345 -9.7249 -9.7249 -9.4285 -9.4285 -9.3768 -9.3768 -9.0190 -9.0190 -7.0508 -7.0508 -5.8743 -5.8743 -5.8597 -5.8597 -4.3137 -4.3137 -3.9004 -3.9004 -0.1316 -0.1316 0.0365 0.0365 0.3184 0.3184 0.3470 0.3470 0.5620 0.5620 0.8093 0.8093 6.5902 6.5902 7.1872 7.1872 7.7033 7.7033 8.0008 8.0008 k = 0.2128-0.3050 0.3354 ( 6848 PWs) bands (ev): -20.5583 -20.5583 -20.3494 -20.3494 -14.2450 -14.2450 -11.7019 -11.7019 -11.4529 -11.4529 -11.3346 -11.3346 -9.7251 -9.7251 -9.4277 -9.4277 -9.3767 -9.3767 -9.0190 -9.0190 -7.0441 -7.0441 -5.8747 -5.8747 -5.8618 -5.8618 -4.3281 -4.3281 -3.8879 -3.8879 -0.1330 -0.1330 0.0489 0.0489 0.3249 0.3249 0.3525 0.3525 0.5750 0.5750 0.8156 0.8156 6.5085 6.5085 7.1482 7.1482 7.6583 7.6583 8.0254 8.0254 k = 0.2021-0.2898 0.3186 ( 6847 PWs) bands (ev): -20.5590 -20.5590 -20.3496 -20.3496 -14.2480 -14.2480 -11.6962 -11.6962 -11.4505 -11.4505 -11.3353 -11.3353 -9.7255 -9.7255 -9.4269 -9.4269 -9.3772 -9.3772 -9.0193 -9.0193 -7.0373 -7.0373 -5.8751 -5.8751 -5.8637 -5.8637 -4.3423 -4.3423 -3.8756 -3.8756 -0.1343 -0.1343 0.0619 0.0619 0.3295 0.3295 0.3618 0.3618 0.5883 0.5883 0.8215 0.8215 6.4283 6.4283 7.1072 7.1072 7.6131 7.6131 8.0500 8.0500 k = 0.1915-0.2745 0.3019 ( 6851 PWs) bands (ev): -20.5597 -20.5597 -20.3499 -20.3499 -14.2508 -14.2508 -11.6896 -11.6896 -11.4478 -11.4478 -11.3366 -11.3366 -9.7263 -9.7263 -9.4262 -9.4262 -9.3782 -9.3782 -9.0200 -9.0200 -7.0305 -7.0305 -5.8756 -5.8756 -5.8652 -5.8652 -4.3561 -4.3561 -3.8634 -3.8634 -0.1355 -0.1355 0.0756 0.0756 0.3332 0.3332 0.3737 0.3737 0.6019 0.6019 0.8270 0.8270 6.3496 6.3496 7.0647 7.0647 7.5678 7.5678 8.0608 8.0608 k = 0.1809-0.2593 0.2851 ( 6845 PWs) bands (ev): -20.5603 -20.5603 -20.3501 -20.3501 -14.2536 -14.2536 -11.6823 -11.6823 -11.4449 -11.4449 -11.3385 -11.3385 -9.7274 -9.7274 -9.4254 -9.4254 -9.3798 -9.3798 -9.0210 -9.0210 -7.0238 -7.0238 -5.8765 -5.8765 -5.8662 -5.8662 -4.3697 -4.3697 -3.8514 -3.8514 -0.1365 -0.1365 0.0899 0.0899 0.3369 0.3369 0.3871 0.3871 0.6159 0.6159 0.8319 0.8319 6.2729 6.2729 7.0210 7.0210 7.5228 7.5228 7.9957 7.9957 k = 0.1702-0.2440 0.2683 ( 6839 PWs) bands (ev): -20.5610 -20.5610 -20.3503 -20.3503 -14.2563 -14.2563 -11.6743 -11.6743 -11.4419 -11.4419 -11.3409 -11.3409 -9.7287 -9.7287 -9.4247 -9.4247 -9.3818 -9.3818 -9.0223 -9.0223 -7.0171 -7.0171 -5.8777 -5.8777 -5.8668 -5.8668 -4.3828 -4.3828 -3.8397 -3.8397 -0.1376 -0.1376 0.1050 0.1050 0.3410 0.3410 0.4014 0.4014 0.6300 0.6300 0.8363 0.8363 6.1984 6.1984 6.9767 6.9767 7.4783 7.4783 7.9202 7.9202 k = 0.1596-0.2288 0.2515 ( 6844 PWs) bands (ev): -20.5616 -20.5616 -20.3506 -20.3506 -14.2589 -14.2589 -11.6657 -11.6657 -11.4388 -11.4388 -11.3439 -11.3439 -9.7304 -9.7304 -9.4241 -9.4241 -9.3841 -9.3841 -9.0238 -9.0238 -7.0106 -7.0106 -5.8792 -5.8792 -5.8669 -5.8669 -4.3954 -4.3954 -3.8283 -3.8283 -0.1387 -0.1387 0.1207 0.1207 0.3453 0.3453 0.4162 0.4162 0.6442 0.6442 0.8401 0.8401 6.1262 6.1262 6.9323 6.9323 7.4348 7.4348 7.8466 7.8466 k = 0.1489-0.2135 0.2348 ( 6841 PWs) bands (ev): -20.5622 -20.5622 -20.3508 -20.3508 -14.2614 -14.2614 -11.6564 -11.6564 -11.4358 -11.4358 -11.3474 -11.3474 -9.7322 -9.7322 -9.4235 -9.4235 -9.3868 -9.3868 -9.0255 -9.0255 -7.0042 -7.0042 -5.8809 -5.8809 -5.8667 -5.8667 -4.4076 -4.4076 -3.8173 -3.8173 -0.1397 -0.1397 0.1370 0.1370 0.3499 0.3499 0.4314 0.4314 0.6586 0.6586 0.8433 0.8433 6.0568 6.0568 6.8881 6.8881 7.3925 7.3925 7.7759 7.7759 k = 0.1383-0.1983 0.2180 ( 6845 PWs) bands (ev): -20.5628 -20.5628 -20.3510 -20.3510 -14.2638 -14.2638 -11.6465 -11.6465 -11.4329 -11.4329 -11.3513 -11.3513 -9.7342 -9.7342 -9.4229 -9.4229 -9.3897 -9.3897 -9.0274 -9.0274 -6.9980 -6.9980 -5.8827 -5.8827 -5.8663 -5.8663 -4.4192 -4.4192 -3.8068 -3.8068 -0.1408 -0.1408 0.1539 0.1539 0.3546 0.3546 0.4467 0.4467 0.6728 0.6728 0.8458 0.8458 5.9903 5.9903 6.8448 6.8448 7.3518 7.3518 7.7087 7.7087 k = 0.1277-0.1830 0.2012 ( 6845 PWs) bands (ev): -20.5634 -20.5634 -20.3512 -20.3512 -14.2660 -14.2660 -11.6361 -11.6361 -11.4303 -11.4303 -11.3556 -11.3556 -9.7364 -9.7364 -9.4224 -9.4224 -9.3927 -9.3927 -9.0293 -9.0293 -6.9920 -6.9920 -5.8845 -5.8845 -5.8657 -5.8657 -4.4301 -4.4301 -3.7968 -3.7968 -0.1420 -0.1420 0.1711 0.1711 0.3592 0.3592 0.4620 0.4620 0.6869 0.6869 0.8476 0.8476 5.9271 5.9271 6.8027 6.8027 7.3129 7.3129 7.6453 7.6453 k = 0.1170-0.1678 0.1845 ( 6847 PWs) bands (ev): -20.5639 -20.5639 -20.3514 -20.3514 -14.2681 -14.2681 -11.6252 -11.6252 -11.4282 -11.4282 -11.3601 -11.3601 -9.7386 -9.7386 -9.4220 -9.4220 -9.3958 -9.3958 -9.0313 -9.0313 -6.9863 -6.9863 -5.8862 -5.8862 -5.8651 -5.8651 -4.4404 -4.4404 -3.7874 -3.7874 -0.1431 -0.1431 0.1887 0.1887 0.3635 0.3635 0.4772 0.4772 0.7007 0.7007 0.8487 0.8487 5.8674 5.8674 6.7622 6.7622 7.2761 7.2761 7.5859 7.5859 k = 0.1064-0.1525 0.1677 ( 6844 PWs) bands (ev): -20.5644 -20.5644 -20.3515 -20.3515 -14.2700 -14.2700 -11.6138 -11.6138 -11.4268 -11.4268 -11.3646 -11.3646 -9.7409 -9.7409 -9.4217 -9.4217 -9.3988 -9.3988 -9.0333 -9.0333 -6.9809 -6.9809 -5.8880 -5.8880 -5.8644 -5.8644 -4.4500 -4.4500 -3.7786 -3.7786 -0.1442 -0.1442 0.2063 0.2063 0.3674 0.3674 0.4920 0.4920 0.7140 0.7140 0.8491 0.8491 5.8116 5.8116 6.7237 6.7237 7.2418 7.2418 7.5308 7.5308 k = 0.0957-0.1373 0.1509 ( 6846 PWs) bands (ev): -20.5648 -20.5648 -20.3517 -20.3517 -14.2718 -14.2718 -11.6021 -11.6021 -11.4266 -11.4266 -11.3689 -11.3689 -9.7432 -9.7432 -9.4216 -9.4216 -9.4017 -9.4017 -9.0353 -9.0353 -6.9759 -6.9759 -5.8896 -5.8896 -5.8636 -5.8636 -4.4588 -4.4588 -3.7705 -3.7705 -0.1453 -0.1453 0.2239 0.2239 0.3707 0.3707 0.5063 0.5063 0.7268 0.7268 0.8490 0.8490 5.7600 5.7600 6.6877 6.6877 7.2100 7.2100 7.4802 7.4802 k = 0.0851-0.1220 0.1342 ( 6833 PWs) bands (ev): -20.5652 -20.5652 -20.3518 -20.3518 -14.2734 -14.2734 -11.5900 -11.5900 -11.4277 -11.4277 -11.3725 -11.3725 -9.7454 -9.7454 -9.4216 -9.4216 -9.4044 -9.4044 -9.0371 -9.0371 -6.9713 -6.9713 -5.8911 -5.8911 -5.8629 -5.8629 -4.4668 -4.4668 -3.7632 -3.7632 -0.1464 -0.1464 0.2412 0.2412 0.3732 0.3732 0.5200 0.5200 0.7388 0.7388 0.8482 0.8482 5.7128 5.7128 6.6545 6.6545 7.1811 7.1811 7.4343 7.4343 k = 0.0745-0.1068 0.1174 ( 6826 PWs) bands (ev): -20.5656 -20.5656 -20.3520 -20.3520 -14.2748 -14.2748 -11.5777 -11.5777 -11.4306 -11.4306 -11.3752 -11.3752 -9.7475 -9.7475 -9.4218 -9.4218 -9.4067 -9.4067 -9.0388 -9.0388 -6.9671 -6.9671 -5.8924 -5.8924 -5.8622 -5.8622 -4.4739 -4.4739 -3.7566 -3.7566 -0.1473 -0.1473 0.2579 0.2579 0.3749 0.3749 0.5329 0.5329 0.7498 0.7498 0.8471 0.8471 5.6704 5.6704 6.6244 6.6244 7.1553 7.1553 7.3933 7.3933 k = 0.0638-0.0915 0.1006 ( 6829 PWs) bands (ev): -20.5659 -20.5659 -20.3521 -20.3521 -14.2761 -14.2761 -11.5653 -11.5653 -11.4353 -11.4353 -11.3770 -11.3770 -9.7495 -9.7495 -9.4222 -9.4222 -9.4086 -9.4086 -9.0404 -9.0404 -6.9634 -6.9634 -5.8936 -5.8936 -5.8616 -5.8616 -4.4802 -4.4802 -3.7508 -3.7508 -0.1482 -0.1482 0.2740 0.2740 0.3756 0.3756 0.5448 0.5448 0.7597 0.7597 0.8456 0.8456 5.6329 5.6329 6.5976 6.5976 7.1326 7.1326 7.3574 7.3574 k = 0.0532-0.0763 0.0838 ( 6826 PWs) bands (ev): -20.5662 -20.5662 -20.3522 -20.3522 -14.2772 -14.2772 -11.5528 -11.5528 -11.4418 -11.4418 -11.3779 -11.3779 -9.7512 -9.7512 -9.4228 -9.4228 -9.4100 -9.4100 -9.0418 -9.0418 -6.9602 -6.9602 -5.8947 -5.8947 -5.8610 -5.8610 -4.4856 -4.4856 -3.7458 -3.7458 -0.1490 -0.1490 0.2891 0.2891 0.3752 0.3752 0.5554 0.5554 0.7683 0.7683 0.8439 0.8439 5.6008 5.6008 6.5746 6.5746 7.1132 7.1132 7.3267 7.3267 k = 0.0426-0.0610 0.0671 ( 6825 PWs) bands (ev): -20.5664 -20.5664 -20.3523 -20.3523 -14.2781 -14.2781 -11.5402 -11.5402 -11.4497 -11.4497 -11.3782 -11.3782 -9.7527 -9.7527 -9.4236 -9.4236 -9.4110 -9.4110 -9.0430 -9.0430 -6.9576 -6.9576 -5.8955 -5.8955 -5.8605 -5.8605 -4.4900 -4.4900 -3.7417 -3.7417 -0.1496 -0.1496 0.3030 0.3030 0.3737 0.3737 0.5645 0.5645 0.7754 0.7754 0.8423 0.8423 5.5742 5.5742 6.5554 6.5554 7.0972 7.0972 7.3013 7.3013 k = 0.0319-0.0458 0.0503 ( 6831 PWs) bands (ev): -20.5666 -20.5666 -20.3524 -20.3524 -14.2788 -14.2788 -11.5277 -11.5277 -11.4587 -11.4587 -11.3781 -11.3781 -9.7539 -9.7539 -9.4244 -9.4244 -9.4116 -9.4116 -9.0439 -9.0439 -6.9555 -6.9555 -5.8962 -5.8962 -5.8601 -5.8601 -4.4935 -4.4935 -3.7385 -3.7385 -0.1501 -0.1501 0.3156 0.3156 0.3710 0.3710 0.5720 0.5720 0.7810 0.7810 0.8408 0.8408 5.5532 5.5532 6.5402 6.5402 7.0848 7.0848 7.2814 7.2814 k = 0.0213-0.0305 0.0335 ( 6833 PWs) bands (ev): -20.5667 -20.5667 -20.3524 -20.3524 -14.2793 -14.2793 -11.5155 -11.5155 -11.4687 -11.4687 -11.3780 -11.3780 -9.7548 -9.7548 -9.4250 -9.4250 -9.4120 -9.4120 -9.0446 -9.0446 -6.9540 -6.9540 -5.8967 -5.8967 -5.8598 -5.8598 -4.4960 -4.4960 -3.7362 -3.7362 -0.1505 -0.1505 0.3263 0.3263 0.3675 0.3675 0.5775 0.5775 0.7850 0.7850 0.8397 0.8397 5.5381 5.5381 6.5293 6.5293 7.0758 7.0758 7.2671 7.2671 k = 0.0106-0.0153 0.0168 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2796 -14.2796 -11.5036 -11.5036 -11.4792 -11.4792 -11.3778 -11.3778 -9.7553 -9.7553 -9.4254 -9.4254 -9.4122 -9.4122 -9.0450 -9.0450 -6.9531 -6.9531 -5.8970 -5.8970 -5.8597 -5.8597 -4.4975 -4.4975 -3.7348 -3.7348 -0.1507 -0.1507 0.3344 0.3344 0.3638 0.3638 0.5809 0.5809 0.7874 0.7874 0.8390 0.8390 5.5290 5.5290 6.5227 6.5227 7.0704 7.0704 7.2585 7.2585 k = 0.0000 0.0000 0.0000 ( 6839 PWs) bands (ev): -20.5668 -20.5668 -20.3524 -20.3524 -14.2797 -14.2797 -11.4951 -11.4951 -11.4873 -11.4873 -11.3777 -11.3777 -9.7555 -9.7555 -9.4256 -9.4256 -9.4123 -9.4123 -9.0451 -9.0451 -6.9528 -6.9528 -5.8971 -5.8971 -5.8596 -5.8596 -4.4980 -4.4980 -3.7343 -3.7343 -0.1508 -0.1508 0.3377 0.3377 0.3619 0.3619 0.5820 0.5820 0.7882 0.7882 0.8388 0.8388 5.5260 5.5260 6.5205 6.5205 7.0687 7.0687 7.2556 7.2556 Writing output data file H5CBrN.save init_run : 0.29s CPU 0.43s WALL ( 1 calls) electrons : 226.09s CPU 229.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 226.08s CPU 229.27s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.09s WALL ( 301 calls) cegterg : 202.87s CPU 204.59s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 160.40s CPU 161.86s WALL ( 6910 calls) s_psi : 2.58s CPU 2.61s WALL ( 6910 calls) g_psi : 0.28s CPU 0.31s WALL ( 6152 calls) cdiaghg : 39.93s CPU 40.37s WALL ( 6453 calls) cegterg:over : 6.81s CPU 6.98s WALL ( 6152 calls) cegterg:upda : 6.76s CPU 6.80s WALL ( 6152 calls) cegterg:last : 3.37s CPU 3.32s WALL ( 1059 calls) cdiaghg:chol : 2.37s CPU 2.34s WALL ( 6453 calls) cdiaghg:inve : 1.36s CPU 1.44s WALL ( 6453 calls) cdiaghg:para : 2.30s CPU 2.35s WALL ( 12906 calls) Called by h_psi: h_psi:vloc : 152.62s CPU 153.93s WALL ( 6910 calls) h_psi:vnl : 7.48s CPU 7.56s WALL ( 6910 calls) add_vuspsi : 2.96s CPU 2.95s WALL ( 6910 calls) General routines calbec : 4.49s CPU 4.59s WALL ( 6910 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 141.70s CPU 142.91s WALL ( 678556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.33s WALL ( 602 calls) Parallel routines fft_scatter : 36.79s CPU 37.10s WALL ( 678579 calls) PWSCF : 4m 4.82s CPU 4m30.70s WALL This run was terminated on: 17: 3:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=