Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:34:57 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: ./TlBiTe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 127 51 14 4228 1070 166 Max 128 52 15 4231 1091 170 Sum 4605 1857 527 152277 38865 6039 bravais-lattice index = 14 lattice parameter (alat) = 15.3767 a.u. unit-cell volume = 922.7952 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.376700 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.845262 celldm(5)= 0.845262 celldm(6)= 0.845262 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.845262 0.534352 0.000000 ) a(3) = ( 0.845262 0.244772 0.474994 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.581844 -0.964373 ) b(2) = ( 0.000000 1.871424 -0.964373 ) b(3) = ( 0.000000 0.000000 2.105290 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Bi 15.00 208.98040 Bi( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0121951 -0.0192908 -0.0117606), wk = 0.0036900 k( 3) = ( 0.0243902 -0.0385815 -0.0235213), wk = 0.0036900 k( 4) = ( 0.0365854 -0.0578723 -0.0352819), wk = 0.0036900 k( 5) = ( 0.0487805 -0.0771631 -0.0470426), wk = 0.0036900 k( 6) = ( 0.0609756 -0.0964539 -0.0588032), wk = 0.0036900 k( 7) = ( 0.0731707 -0.1157446 -0.0705639), wk = 0.0036900 k( 8) = ( 0.0853658 -0.1350354 -0.0823245), wk = 0.0036900 k( 9) = ( 0.0975610 -0.1543262 -0.0940852), wk = 0.0036900 k( 10) = ( 0.1097561 -0.1736170 -0.1058458), wk = 0.0036900 k( 11) = ( 0.1219512 -0.1929078 -0.1176065), wk = 0.0036900 k( 12) = ( 0.1341463 -0.2121985 -0.1293671), wk = 0.0036900 k( 13) = ( 0.1463415 -0.2314893 -0.1411278), wk = 0.0036900 k( 14) = ( 0.1585366 -0.2507801 -0.1528884), wk = 0.0036900 k( 15) = ( 0.1707317 -0.2700709 -0.1646491), wk = 0.0036900 k( 16) = ( 0.1829268 -0.2893616 -0.1764097), wk = 0.0036900 k( 17) = ( 0.1951219 -0.3086524 -0.1881704), wk = 0.0036900 k( 18) = ( 0.2073171 -0.3279432 -0.1999310), wk = 0.0036900 k( 19) = ( 0.2195122 -0.3472340 -0.2116917), wk = 0.0036900 k( 20) = ( 0.2317073 -0.3665247 -0.2234523), wk = 0.0036900 k( 21) = ( 0.2439024 -0.3858155 -0.2352130), wk = 0.0036900 k( 22) = ( 0.2560976 -0.4051063 -0.2469736), wk = 0.0036900 k( 23) = ( 0.2682927 -0.4243971 -0.2587343), wk = 0.0036900 k( 24) = ( 0.2804878 -0.4436878 -0.2704949), wk = 0.0036900 k( 25) = ( 0.2926829 -0.4629786 -0.2822556), wk = 0.0036900 k( 26) = ( 0.3048781 -0.4822694 -0.2940162), wk = 0.0036900 k( 27) = ( 0.3170732 -0.5015602 -0.3057769), wk = 0.0036900 k( 28) = ( 0.3292683 -0.5208509 -0.3175375), wk = 0.0036900 k( 29) = ( 0.3414634 -0.5401417 -0.3292982), wk = 0.0036900 k( 30) = ( 0.3536585 -0.5594325 -0.3410588), wk = 0.0036900 k( 31) = ( 0.3658537 -0.5787233 -0.3528195), wk = 0.0036900 k( 32) = ( 0.3780488 -0.5980140 -0.3645801), wk = 0.0036900 k( 33) = ( 0.3902439 -0.6173048 -0.3763408), wk = 0.0036900 k( 34) = ( 0.4024390 -0.6365956 -0.3881014), wk = 0.0036900 k( 35) = ( 0.4146341 -0.6558864 -0.3998621), wk = 0.0036900 k( 36) = ( 0.4268293 -0.6751771 -0.4116227), wk = 0.0036900 k( 37) = ( 0.4390244 -0.6944679 -0.4233834), wk = 0.0036900 k( 38) = ( 0.4512195 -0.7137587 -0.4351440), wk = 0.0036900 k( 39) = ( 0.4634146 -0.7330495 -0.4469046), wk = 0.0036900 k( 40) = ( 0.4756098 -0.7523402 -0.4586653), wk = 0.0036900 k( 41) = ( 0.4878049 -0.7716310 -0.4704259), wk = 0.0036900 k( 42) = ( 0.5000000 -0.7909218 -0.4821866), wk = 0.0036900 k( 43) = ( 0.5000000 -0.7909218 -0.4821866), wk = 0.0036900 k( 44) = ( 0.5000000 -0.7775456 -0.5041273), wk = 0.0036900 k( 45) = ( 0.5000000 -0.7641694 -0.5260680), wk = 0.0036900 k( 46) = ( 0.5000000 -0.7507932 -0.5480087), wk = 0.0036900 k( 47) = ( 0.5000000 -0.7374171 -0.5699494), wk = 0.0036900 k( 48) = ( 0.5000000 -0.7240409 -0.5918901), wk = 0.0036900 k( 49) = ( 0.5000000 -0.7106647 -0.6138308), wk = 0.0036900 k( 50) = ( 0.5000000 -0.6972885 -0.6357715), wk = 0.0036900 k( 51) = ( 0.5000000 -0.6839123 -0.6577122), wk = 0.0036900 k( 52) = ( 0.5000000 -0.6705362 -0.6796529), wk = 0.0036900 k( 53) = ( 0.5000000 -0.6571600 -0.7015936), wk = 0.0036900 k( 54) = ( 0.5000000 -0.6437838 -0.7235343), wk = 0.0036900 k( 55) = ( 0.5000000 -0.6304076 -0.7454750), wk = 0.0036900 k( 56) = ( 0.5000000 -0.6170315 -0.7674157), wk = 0.0036900 k( 57) = ( 0.5000000 -0.6036553 -0.7893564), wk = 0.0036900 k( 58) = ( 0.5000000 -0.5902791 -0.8112971), wk = 0.0036900 k( 59) = ( 0.5000000 -0.5769029 -0.8332378), wk = 0.0036900 k( 60) = ( 0.5000000 -0.5635267 -0.8551785), wk = 0.0036900 k( 61) = ( 0.5000000 -0.5501505 -0.8771192), wk = 0.0036900 k( 62) = ( 0.5000000 -0.5367744 -0.8990599), wk = 0.0036900 k( 63) = ( 0.5000000 -0.5233982 -0.9210006), wk = 0.0036900 k( 64) = ( 0.5000000 -0.5100220 -0.9429413), wk = 0.0036900 k( 65) = ( 0.5000000 -0.4966458 -0.9648821), wk = 0.0036900 k( 66) = ( 0.5000000 -0.4832696 -0.9868228), wk = 0.0036900 k( 67) = ( 0.5000000 -0.4698935 -1.0087634), wk = 0.0036900 k( 68) = ( 0.5000000 -0.4565173 -1.0307042), wk = 0.0036900 k( 69) = ( 0.5000000 -0.4431411 -1.0526449), wk = 0.0036900 k( 70) = ( 0.8141626 -0.3521657 -0.8761015), wk = 0.0036900 k( 71) = ( 0.8070225 -0.3408712 -0.8541839), wk = 0.0036900 k( 72) = ( 0.7998825 -0.3295767 -0.8322664), wk = 0.0036900 k( 73) = ( 0.7927424 -0.3182823 -0.8103488), wk = 0.0036900 k( 74) = ( 0.7856023 -0.3069878 -0.7884312), wk = 0.0036900 k( 75) = ( 0.7784623 -0.2956934 -0.7665137), wk = 0.0036900 k( 76) = ( 0.7713222 -0.2843989 -0.7445961), wk = 0.0036900 k( 77) = ( 0.7641822 -0.2731045 -0.7226785), wk = 0.0036900 k( 78) = ( 0.7570421 -0.2618100 -0.7007609), wk = 0.0036900 k( 79) = ( 0.7499020 -0.2505156 -0.6788434), wk = 0.0036900 k( 80) = ( 0.7427620 -0.2392211 -0.6569258), wk = 0.0036900 k( 81) = ( 0.7356219 -0.2279267 -0.6350082), wk = 0.0036900 k( 82) = ( 0.7284819 -0.2166322 -0.6130907), wk = 0.0036900 k( 83) = ( 0.7213418 -0.2053377 -0.5911731), wk = 0.0036900 k( 84) = ( 0.7142017 -0.1940433 -0.5692555), wk = 0.0036900 k( 85) = ( 0.7070617 -0.1827488 -0.5473379), wk = 0.0036900 k( 86) = ( 0.6999216 -0.1714544 -0.5254204), wk = 0.0036900 k( 87) = ( 0.6927816 -0.1601599 -0.5035028), wk = 0.0036900 k( 88) = ( 0.6856415 -0.1488655 -0.4815852), wk = 0.0036900 k( 89) = ( 0.6785015 -0.1375710 -0.4596676), wk = 0.0036900 k( 90) = ( 0.6713614 -0.1262765 -0.4377501), wk = 0.0036900 k( 91) = ( 0.6642213 -0.1149821 -0.4158325), wk = 0.0036900 k( 92) = ( 0.6570813 -0.1036876 -0.3939149), wk = 0.0036900 k( 93) = ( 0.6499412 -0.0923932 -0.3719974), wk = 0.0036900 k( 94) = ( 0.6428012 -0.0810987 -0.3500798), wk = 0.0036900 k( 95) = ( 0.6356611 -0.0698043 -0.3281622), wk = 0.0036900 k( 96) = ( 0.6285211 -0.0585098 -0.3062446), wk = 0.0036900 k( 97) = ( 0.6213810 -0.0472154 -0.2843271), wk = 0.0036900 k( 98) = ( 0.6142409 -0.0359209 -0.2624095), wk = 0.0036900 k( 99) = ( 0.6071009 -0.0246265 -0.2404919), wk = 0.0036900 k( 100) = ( 0.5999608 -0.0133320 -0.2185744), wk = 0.0036900 k( 101) = ( 0.5928208 -0.0020375 -0.1966568), wk = 0.0036900 k( 102) = ( 0.5856807 0.0092569 -0.1747392), wk = 0.0036900 k( 103) = ( 0.5785406 0.0205514 -0.1528216), wk = 0.0036900 k( 104) = ( 0.5714006 0.0318458 -0.1309040), wk = 0.0036900 k( 105) = ( 0.5642605 0.0431403 -0.1089865), wk = 0.0036900 k( 106) = ( 0.5571205 0.0544347 -0.0870689), wk = 0.0036900 k( 107) = ( 0.5499804 0.0657292 -0.0651513), wk = 0.0036900 k( 108) = ( 0.5428403 0.0770237 -0.0432338), wk = 0.0036900 k( 109) = ( 0.5357003 0.0883181 -0.0213162), wk = 0.0036900 k( 110) = ( 0.5285602 0.0996126 0.0006014), wk = 0.0036900 k( 111) = ( 0.5214202 0.1109070 0.0225189), wk = 0.0036900 k( 112) = ( 0.5142801 0.1222015 0.0444365), wk = 0.0036900 k( 113) = ( 0.5071401 0.1334959 0.0663541), wk = 0.0036900 k( 114) = ( 0.5000000 0.1447904 0.0882717), wk = 0.0036900 k( 115) = ( 0.5000000 0.1447904 0.0882717), wk = 0.0036900 k( 116) = ( 0.4761905 0.1378956 0.0840683), wk = 0.0036900 k( 117) = ( 0.4523810 0.1310008 0.0798648), wk = 0.0036900 k( 118) = ( 0.4285714 0.1241060 0.0756614), wk = 0.0036900 k( 119) = ( 0.4047619 0.1172113 0.0714580), wk = 0.0036900 k( 120) = ( 0.3809524 0.1103165 0.0672546), wk = 0.0036900 k( 121) = ( 0.3571429 0.1034217 0.0630512), wk = 0.0036900 k( 122) = ( 0.3333333 0.0965269 0.0588478), wk = 0.0036900 k( 123) = ( 0.3095238 0.0896321 0.0546444), wk = 0.0036900 k( 124) = ( 0.2857143 0.0827374 0.0504410), wk = 0.0036900 k( 125) = ( 0.2619048 0.0758426 0.0462375), wk = 0.0036900 k( 126) = ( 0.2380952 0.0689478 0.0420341), wk = 0.0036900 k( 127) = ( 0.2142857 0.0620530 0.0378307), wk = 0.0036900 k( 128) = ( 0.1904762 0.0551582 0.0336273), wk = 0.0036900 k( 129) = ( 0.1666667 0.0482635 0.0294239), wk = 0.0036900 k( 130) = ( 0.1428571 0.0413687 0.0252205), wk = 0.0036900 k( 131) = ( 0.1190476 0.0344739 0.0210171), wk = 0.0036900 k( 132) = ( 0.0952381 0.0275791 0.0168137), wk = 0.0036900 k( 133) = ( 0.0714286 0.0206843 0.0126102), wk = 0.0036900 k( 134) = ( 0.0476191 0.0137896 0.0084068), wk = 0.0036900 k( 135) = ( 0.0238095 0.0068948 0.0042034), wk = 0.0036900 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 138) = ( 0.0071441 -0.0113009 -0.0219301), wk = 0.0036900 k( 139) = ( 0.0142883 -0.0226018 -0.0438602), wk = 0.0036900 k( 140) = ( 0.0214324 -0.0339027 -0.0657903), wk = 0.0036900 k( 141) = ( 0.0285766 -0.0452036 -0.0877204), wk = 0.0036900 k( 142) = ( 0.0357207 -0.0565046 -0.1096505), wk = 0.0036900 k( 143) = ( 0.0428648 -0.0678055 -0.1315806), wk = 0.0036900 k( 144) = ( 0.0500090 -0.0791064 -0.1535107), wk = 0.0036900 k( 145) = ( 0.0571531 -0.0904073 -0.1754408), wk = 0.0036900 k( 146) = ( 0.0642973 -0.1017082 -0.1973709), wk = 0.0036900 k( 147) = ( 0.0714414 -0.1130091 -0.2193010), wk = 0.0036900 k( 148) = ( 0.0785855 -0.1243100 -0.2412311), wk = 0.0036900 k( 149) = ( 0.0857297 -0.1356109 -0.2631612), wk = 0.0036900 k( 150) = ( 0.0928738 -0.1469119 -0.2850913), wk = 0.0036900 k( 151) = ( 0.1000180 -0.1582128 -0.3070214), wk = 0.0036900 k( 152) = ( 0.1071621 -0.1695137 -0.3289515), wk = 0.0036900 k( 153) = ( 0.1143062 -0.1808146 -0.3508816), wk = 0.0036900 k( 154) = ( 0.1214504 -0.1921155 -0.3728117), wk = 0.0036900 k( 155) = ( 0.1285945 -0.2034164 -0.3947418), wk = 0.0036900 k( 156) = ( 0.1357387 -0.2147173 -0.4166719), wk = 0.0036900 k( 157) = ( 0.1428828 -0.2260182 -0.4386020), wk = 0.0036900 k( 158) = ( 0.1500269 -0.2373192 -0.4605321), wk = 0.0036900 k( 159) = ( 0.1571711 -0.2486201 -0.4824622), wk = 0.0036900 k( 160) = ( 0.1643152 -0.2599210 -0.5043923), wk = 0.0036900 k( 161) = ( 0.1714594 -0.2712219 -0.5263224), wk = 0.0036900 k( 162) = ( 0.1786035 -0.2825228 -0.5482525), wk = 0.0036900 k( 163) = ( 0.1857476 -0.2938237 -0.5701826), wk = 0.0036900 k( 164) = ( 0.1928918 -0.3051246 -0.5921127), wk = 0.0036900 k( 165) = ( 0.2000359 -0.3164255 -0.6140428), wk = 0.0036900 k( 166) = ( 0.2071801 -0.3277264 -0.6359729), wk = 0.0036900 k( 167) = ( 0.2143242 -0.3390274 -0.6579030), wk = 0.0036900 k( 168) = ( 0.2214683 -0.3503283 -0.6798331), wk = 0.0036900 k( 169) = ( 0.2286125 -0.3616292 -0.7017632), wk = 0.0036900 k( 170) = ( 0.2357566 -0.3729301 -0.7236933), wk = 0.0036900 k( 171) = ( 0.2429008 -0.3842310 -0.7456235), wk = 0.0036900 k( 172) = ( 0.2500449 -0.3955319 -0.7675536), wk = 0.0036900 k( 173) = ( 0.2571890 -0.4068328 -0.7894837), wk = 0.0036900 k( 174) = ( 0.2643332 -0.4181337 -0.8114138), wk = 0.0036900 k( 175) = ( 0.2714773 -0.4294347 -0.8333439), wk = 0.0036900 k( 176) = ( 0.2786215 -0.4407356 -0.8552740), wk = 0.0036900 k( 177) = ( 0.2857656 -0.4520365 -0.8772041), wk = 0.0036900 k( 178) = ( 0.2929097 -0.4633374 -0.8991342), wk = 0.0036900 k( 179) = ( 0.3000539 -0.4746383 -0.9210643), wk = 0.0036900 k( 180) = ( 0.3071980 -0.4859392 -0.9429943), wk = 0.0036900 k( 181) = ( 0.3143421 -0.4972401 -0.9649244), wk = 0.0036900 k( 182) = ( 0.3214863 -0.5085410 -0.9868545), wk = 0.0036900 k( 183) = ( 0.3286304 -0.5198419 -1.0087846), wk = 0.0036900 k( 184) = ( 0.3357746 -0.5311428 -1.0307147), wk = 0.0036900 k( 185) = ( 0.3429187 -0.5424438 -1.0526448), wk = 0.0036900 k( 186) = ( 0.6570813 -0.3976534 -0.9643732), wk = 0.0036900 k( 187) = ( 0.6499412 -0.3729969 -0.9643732), wk = 0.0036900 k( 188) = ( 0.6428012 -0.3483403 -0.9643732), wk = 0.0036900 k( 189) = ( 0.6356611 -0.3236838 -0.9643732), wk = 0.0036900 k( 190) = ( 0.6285211 -0.2990272 -0.9643732), wk = 0.0036900 k( 191) = ( 0.6213810 -0.2743707 -0.9643732), wk = 0.0036900 k( 192) = ( 0.6142409 -0.2497142 -0.9643732), wk = 0.0036900 k( 193) = ( 0.6071009 -0.2250576 -0.9643732), wk = 0.0036900 k( 194) = ( 0.5999608 -0.2004011 -0.9643732), wk = 0.0036900 k( 195) = ( 0.5928208 -0.1757446 -0.9643732), wk = 0.0036900 k( 196) = ( 0.5856807 -0.1510880 -0.9643732), wk = 0.0036900 k( 197) = ( 0.5785406 -0.1264315 -0.9643732), wk = 0.0036900 k( 198) = ( 0.5714006 -0.1017749 -0.9643732), wk = 0.0036900 k( 199) = ( 0.5642605 -0.0771184 -0.9643732), wk = 0.0036900 k( 200) = ( 0.5571205 -0.0524619 -0.9643732), wk = 0.0036900 k( 201) = ( 0.5499804 -0.0278054 -0.9643732), wk = 0.0036900 k( 202) = ( 0.5428403 -0.0031488 -0.9643732), wk = 0.0036900 k( 203) = ( 0.5357003 0.0215077 -0.9643732), wk = 0.0036900 k( 204) = ( 0.5285602 0.0461643 -0.9643732), wk = 0.0036900 k( 205) = ( 0.5214202 0.0708208 -0.9643732), wk = 0.0036900 k( 206) = ( 0.5142801 0.0954773 -0.9643732), wk = 0.0036900 k( 207) = ( 0.5071401 0.1201338 -0.9643732), wk = 0.0036900 k( 208) = ( 0.5000000 0.1447904 -0.9643732), wk = 0.0036900 k( 209) = ( 0.5000000 0.1447904 -0.9643732), wk = 0.0036900 k( 210) = ( 0.5196352 0.1504764 -0.9533392), wk = 0.0036900 k( 211) = ( 0.5392703 0.1561623 -0.9423053), wk = 0.0036900 k( 212) = ( 0.5589055 0.1618483 -0.9312713), wk = 0.0036900 k( 213) = ( 0.5785406 0.1675342 -0.9202374), wk = 0.0036900 k( 214) = ( 0.5981758 0.1732202 -0.9092034), wk = 0.0036900 k( 215) = ( 0.6178110 0.1789062 -0.8981694), wk = 0.0036900 k( 216) = ( 0.6374461 0.1845921 -0.8871355), wk = 0.0036900 k( 217) = ( 0.6570813 0.1902781 -0.8761015), wk = 0.0036900 k( 218) = ( 0.6570813 0.1902781 -0.8761015), wk = 0.0036900 k( 219) = ( 0.6529476 0.1890811 -0.8507233), wk = 0.0036900 k( 220) = ( 0.6488139 0.1878840 -0.8253450), wk = 0.0036900 k( 221) = ( 0.6446801 0.1866870 -0.7999668), wk = 0.0036900 k( 222) = ( 0.6405464 0.1854899 -0.7745886), wk = 0.0036900 k( 223) = ( 0.6364127 0.1842929 -0.7492103), wk = 0.0036900 k( 224) = ( 0.6322790 0.1830958 -0.7238321), wk = 0.0036900 k( 225) = ( 0.6281453 0.1818988 -0.6984538), wk = 0.0036900 k( 226) = ( 0.6240115 0.1807017 -0.6730756), wk = 0.0036900 k( 227) = ( 0.6198778 0.1795047 -0.6476973), wk = 0.0036900 k( 228) = ( 0.6157441 0.1783077 -0.6223191), wk = 0.0036900 k( 229) = ( 0.6116104 0.1771106 -0.5969409), wk = 0.0036900 k( 230) = ( 0.6074767 0.1759136 -0.5715626), wk = 0.0036900 k( 231) = ( 0.6033430 0.1747165 -0.5461844), wk = 0.0036900 k( 232) = ( 0.5992092 0.1735195 -0.5208061), wk = 0.0036900 k( 233) = ( 0.5950755 0.1723224 -0.4954279), wk = 0.0036900 k( 234) = ( 0.5909418 0.1711254 -0.4700497), wk = 0.0036900 k( 235) = ( 0.5868081 0.1699283 -0.4446714), wk = 0.0036900 k( 236) = ( 0.5826744 0.1687313 -0.4192932), wk = 0.0036900 k( 237) = ( 0.5785406 0.1675342 -0.3939149), wk = 0.0036900 k( 238) = ( 0.5744069 0.1663372 -0.3685367), wk = 0.0036900 k( 239) = ( 0.5702732 0.1651402 -0.3431584), wk = 0.0036900 k( 240) = ( 0.5661395 0.1639431 -0.3177802), wk = 0.0036900 k( 241) = ( 0.5620058 0.1627461 -0.2924020), wk = 0.0036900 k( 242) = ( 0.5578720 0.1615490 -0.2670237), wk = 0.0036900 k( 243) = ( 0.5537383 0.1603520 -0.2416455), wk = 0.0036900 k( 244) = ( 0.5496046 0.1591549 -0.2162672), wk = 0.0036900 k( 245) = ( 0.5454709 0.1579579 -0.1908890), wk = 0.0036900 k( 246) = ( 0.5413372 0.1567608 -0.1655108), wk = 0.0036900 k( 247) = ( 0.5372035 0.1555638 -0.1401325), wk = 0.0036900 k( 248) = ( 0.5330697 0.1543667 -0.1147543), wk = 0.0036900 k( 249) = ( 0.5289360 0.1531697 -0.0893760), wk = 0.0036900 k( 250) = ( 0.5248023 0.1519727 -0.0639978), wk = 0.0036900 k( 251) = ( 0.5206686 0.1507756 -0.0386195), wk = 0.0036900 k( 252) = ( 0.5165349 0.1495786 -0.0132413), wk = 0.0036900 k( 253) = ( 0.5124011 0.1483815 0.0121369), wk = 0.0036900 k( 254) = ( 0.5082674 0.1471845 0.0375152), wk = 0.0036900 k( 255) = ( 0.5041337 0.1459874 0.0628934), wk = 0.0036900 k( 256) = ( 0.5000000 0.1447904 0.0882717), wk = 0.0036900 k( 257) = ( 0.5000000 -0.7909218 -0.4821866), wk = 0.0036900 k( 258) = ( 0.5224402 -0.7805796 -0.4758815), wk = 0.0036900 k( 259) = ( 0.5448804 -0.7702374 -0.4695764), wk = 0.0036900 k( 260) = ( 0.5673206 -0.7598953 -0.4632712), wk = 0.0036900 k( 261) = ( 0.5897607 -0.7495531 -0.4569661), wk = 0.0036900 k( 262) = ( 0.6122009 -0.7392109 -0.4506610), wk = 0.0036900 k( 263) = ( 0.6346411 -0.7288688 -0.4443559), wk = 0.0036900 k( 264) = ( 0.6570813 -0.7185266 -0.4380508), wk = 0.0036900 k( 265) = ( 0.6795215 -0.7081844 -0.4317456), wk = 0.0036900 k( 266) = ( 0.7019616 -0.6978423 -0.4254405), wk = 0.0036900 k( 267) = ( 0.7244018 -0.6875001 -0.4191354), wk = 0.0036900 k( 268) = ( 0.7468420 -0.6771579 -0.4128303), wk = 0.0036900 k( 269) = ( 0.7692822 -0.6668157 -0.4065252), wk = 0.0036900 k( 270) = ( 0.7917224 -0.6564736 -0.4002201), wk = 0.0036900 k( 271) = ( 0.8141626 -0.6461314 -0.3939149), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0036900 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0036900 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0036900 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0036900 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1585366 0.0000000 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0036900 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0036900 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0036900 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0036900 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0036900 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0036900 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3292683 0.0000000 -0.0000000), wk = 0.0036900 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0036900 k( 30) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0036900 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0036900 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0036900 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0036900 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0036900 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0036900 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 44) = ( 0.5000000 0.0071476 -0.0071476), wk = 0.0036900 k( 45) = ( 0.5000000 0.0142952 -0.0142952), wk = 0.0036900 k( 46) = ( 0.5000000 0.0214428 -0.0214428), wk = 0.0036900 k( 47) = ( 0.5000000 0.0285904 -0.0285904), wk = 0.0036900 k( 48) = ( 0.5000000 0.0357380 -0.0357380), wk = 0.0036900 k( 49) = ( 0.5000000 0.0428856 -0.0428856), wk = 0.0036900 k( 50) = ( 0.5000000 0.0500332 -0.0500332), wk = 0.0036900 k( 51) = ( 0.5000000 0.0571808 -0.0571808), wk = 0.0036900 k( 52) = ( 0.5000000 0.0643283 -0.0643283), wk = 0.0036900 k( 53) = ( 0.5000000 0.0714759 -0.0714759), wk = 0.0036900 k( 54) = ( 0.5000000 0.0786235 -0.0786235), wk = 0.0036900 k( 55) = ( 0.5000000 0.0857711 -0.0857711), wk = 0.0036900 k( 56) = ( 0.5000000 0.0929187 -0.0929187), wk = 0.0036900 k( 57) = ( 0.5000000 0.1000663 -0.1000663), wk = 0.0036900 k( 58) = ( 0.5000000 0.1072139 -0.1072139), wk = 0.0036900 k( 59) = ( 0.5000000 0.1143615 -0.1143615), wk = 0.0036900 k( 60) = ( 0.5000000 0.1215091 -0.1215091), wk = 0.0036900 k( 61) = ( 0.5000000 0.1286567 -0.1286567), wk = 0.0036900 k( 62) = ( 0.5000000 0.1358043 -0.1358043), wk = 0.0036900 k( 63) = ( 0.5000000 0.1429519 -0.1429519), wk = 0.0036900 k( 64) = ( 0.5000000 0.1500995 -0.1500995), wk = 0.0036900 k( 65) = ( 0.5000000 0.1572471 -0.1572471), wk = 0.0036900 k( 66) = ( 0.5000000 0.1643947 -0.1643947), wk = 0.0036900 k( 67) = ( 0.5000000 0.1715422 -0.1715422), wk = 0.0036900 k( 68) = ( 0.5000000 0.1786898 -0.1786898), wk = 0.0036900 k( 69) = ( 0.5000000 0.1858374 -0.1858374), wk = 0.0036900 k( 70) = ( 0.8141626 0.5000000 0.1858374), wk = 0.0036900 k( 71) = ( 0.8070225 0.5000000 0.1929775), wk = 0.0036900 k( 72) = ( 0.7998825 0.5000000 0.2001175), wk = 0.0036900 k( 73) = ( 0.7927424 0.5000000 0.2072576), wk = 0.0036900 k( 74) = ( 0.7856023 0.5000000 0.2143977), wk = 0.0036900 k( 75) = ( 0.7784623 0.5000000 0.2215377), wk = 0.0036900 k( 76) = ( 0.7713222 0.5000000 0.2286778), wk = 0.0036900 k( 77) = ( 0.7641822 0.5000000 0.2358178), wk = 0.0036900 k( 78) = ( 0.7570421 0.5000000 0.2429579), wk = 0.0036900 k( 79) = ( 0.7499020 0.5000000 0.2500979), wk = 0.0036900 k( 80) = ( 0.7427620 0.5000000 0.2572380), wk = 0.0036900 k( 81) = ( 0.7356219 0.5000000 0.2643781), wk = 0.0036900 k( 82) = ( 0.7284819 0.5000000 0.2715181), wk = 0.0036900 k( 83) = ( 0.7213418 0.5000000 0.2786582), wk = 0.0036900 k( 84) = ( 0.7142017 0.5000000 0.2857982), wk = 0.0036900 k( 85) = ( 0.7070617 0.5000000 0.2929383), wk = 0.0036900 k( 86) = ( 0.6999216 0.5000000 0.3000784), wk = 0.0036900 k( 87) = ( 0.6927816 0.5000000 0.3072184), wk = 0.0036900 k( 88) = ( 0.6856415 0.5000000 0.3143585), wk = 0.0036900 k( 89) = ( 0.6785015 0.5000000 0.3214985), wk = 0.0036900 k( 90) = ( 0.6713614 0.5000000 0.3286386), wk = 0.0036900 k( 91) = ( 0.6642213 0.5000000 0.3357787), wk = 0.0036900 k( 92) = ( 0.6570813 0.5000000 0.3429187), wk = 0.0036900 k( 93) = ( 0.6499412 0.5000000 0.3500588), wk = 0.0036900 k( 94) = ( 0.6428012 0.5000000 0.3571988), wk = 0.0036900 k( 95) = ( 0.6356611 0.5000000 0.3643389), wk = 0.0036900 k( 96) = ( 0.6285211 0.5000000 0.3714789), wk = 0.0036900 k( 97) = ( 0.6213810 0.5000000 0.3786190), wk = 0.0036900 k( 98) = ( 0.6142409 0.5000000 0.3857591), wk = 0.0036900 k( 99) = ( 0.6071009 0.5000000 0.3928991), wk = 0.0036900 k( 100) = ( 0.5999608 0.5000000 0.4000392), wk = 0.0036900 k( 101) = ( 0.5928208 0.5000000 0.4071792), wk = 0.0036900 k( 102) = ( 0.5856807 0.5000000 0.4143193), wk = 0.0036900 k( 103) = ( 0.5785406 0.5000000 0.4214594), wk = 0.0036900 k( 104) = ( 0.5714006 0.5000000 0.4285994), wk = 0.0036900 k( 105) = ( 0.5642605 0.5000000 0.4357395), wk = 0.0036900 k( 106) = ( 0.5571205 0.5000000 0.4428795), wk = 0.0036900 k( 107) = ( 0.5499804 0.5000000 0.4500196), wk = 0.0036900 k( 108) = ( 0.5428403 0.5000000 0.4571596), wk = 0.0036900 k( 109) = ( 0.5357003 0.5000000 0.4642997), wk = 0.0036900 k( 110) = ( 0.5285602 0.5000000 0.4714398), wk = 0.0036900 k( 111) = ( 0.5214202 0.5000000 0.4785798), wk = 0.0036900 k( 112) = ( 0.5142801 0.5000000 0.4857199), wk = 0.0036900 k( 113) = ( 0.5071401 0.5000000 0.4928599), wk = 0.0036900 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 116) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0036900 k( 117) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0036900 k( 118) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036900 k( 119) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0036900 k( 120) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0036900 k( 121) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036900 k( 122) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036900 k( 123) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0036900 k( 124) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036900 k( 125) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0036900 k( 126) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0036900 k( 127) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036900 k( 128) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0036900 k( 129) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036900 k( 130) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036900 k( 131) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0036900 k( 132) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0036900 k( 133) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036900 k( 134) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0036900 k( 135) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0036900 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 138) = ( 0.0071441 0.0000000 -0.0071441), wk = 0.0036900 k( 139) = ( 0.0142883 0.0000000 -0.0142883), wk = 0.0036900 k( 140) = ( 0.0214324 0.0000000 -0.0214324), wk = 0.0036900 k( 141) = ( 0.0285766 0.0000000 -0.0285766), wk = 0.0036900 k( 142) = ( 0.0357207 0.0000000 -0.0357207), wk = 0.0036900 k( 143) = ( 0.0428648 0.0000000 -0.0428648), wk = 0.0036900 k( 144) = ( 0.0500090 0.0000000 -0.0500090), wk = 0.0036900 k( 145) = ( 0.0571531 0.0000000 -0.0571531), wk = 0.0036900 k( 146) = ( 0.0642973 0.0000000 -0.0642973), wk = 0.0036900 k( 147) = ( 0.0714414 0.0000000 -0.0714414), wk = 0.0036900 k( 148) = ( 0.0785855 0.0000000 -0.0785855), wk = 0.0036900 k( 149) = ( 0.0857297 0.0000000 -0.0857297), wk = 0.0036900 k( 150) = ( 0.0928738 0.0000000 -0.0928738), wk = 0.0036900 k( 151) = ( 0.1000180 0.0000000 -0.1000180), wk = 0.0036900 k( 152) = ( 0.1071621 0.0000000 -0.1071621), wk = 0.0036900 k( 153) = ( 0.1143062 0.0000000 -0.1143062), wk = 0.0036900 k( 154) = ( 0.1214504 0.0000000 -0.1214504), wk = 0.0036900 k( 155) = ( 0.1285945 0.0000000 -0.1285945), wk = 0.0036900 k( 156) = ( 0.1357387 0.0000000 -0.1357387), wk = 0.0036900 k( 157) = ( 0.1428828 0.0000000 -0.1428828), wk = 0.0036900 k( 158) = ( 0.1500269 0.0000000 -0.1500269), wk = 0.0036900 k( 159) = ( 0.1571711 0.0000000 -0.1571711), wk = 0.0036900 k( 160) = ( 0.1643152 0.0000000 -0.1643152), wk = 0.0036900 k( 161) = ( 0.1714594 0.0000000 -0.1714594), wk = 0.0036900 k( 162) = ( 0.1786035 0.0000000 -0.1786035), wk = 0.0036900 k( 163) = ( 0.1857476 0.0000000 -0.1857476), wk = 0.0036900 k( 164) = ( 0.1928918 -0.0000000 -0.1928918), wk = 0.0036900 k( 165) = ( 0.2000359 0.0000000 -0.2000359), wk = 0.0036900 k( 166) = ( 0.2071801 -0.0000000 -0.2071801), wk = 0.0036900 k( 167) = ( 0.2143242 0.0000000 -0.2143242), wk = 0.0036900 k( 168) = ( 0.2214683 -0.0000000 -0.2214683), wk = 0.0036900 k( 169) = ( 0.2286125 0.0000000 -0.2286125), wk = 0.0036900 k( 170) = ( 0.2357566 0.0000000 -0.2357566), wk = 0.0036900 k( 171) = ( 0.2429008 0.0000000 -0.2429008), wk = 0.0036900 k( 172) = ( 0.2500449 -0.0000000 -0.2500449), wk = 0.0036900 k( 173) = ( 0.2571890 0.0000000 -0.2571890), wk = 0.0036900 k( 174) = ( 0.2643332 0.0000000 -0.2643332), wk = 0.0036900 k( 175) = ( 0.2714773 0.0000000 -0.2714773), wk = 0.0036900 k( 176) = ( 0.2786215 0.0000000 -0.2786215), wk = 0.0036900 k( 177) = ( 0.2857656 0.0000000 -0.2857656), wk = 0.0036900 k( 178) = ( 0.2929097 0.0000000 -0.2929097), wk = 0.0036900 k( 179) = ( 0.3000539 0.0000000 -0.3000539), wk = 0.0036900 k( 180) = ( 0.3071980 0.0000000 -0.3071980), wk = 0.0036900 k( 181) = ( 0.3143421 0.0000000 -0.3143422), wk = 0.0036900 k( 182) = ( 0.3214863 0.0000000 -0.3214863), wk = 0.0036900 k( 183) = ( 0.3286304 0.0000000 -0.3286304), wk = 0.0036900 k( 184) = ( 0.3357746 0.0000000 -0.3357746), wk = 0.0036900 k( 185) = ( 0.3429187 0.0000000 -0.3429187), wk = 0.0036900 k( 186) = ( 0.6570813 0.3429187 -0.0000000), wk = 0.0036900 k( 187) = ( 0.6499412 0.3500588 0.0000000), wk = 0.0036900 k( 188) = ( 0.6428012 0.3571988 -0.0000000), wk = 0.0036900 k( 189) = ( 0.6356611 0.3643389 -0.0000000), wk = 0.0036900 k( 190) = ( 0.6285211 0.3714790 -0.0000000), wk = 0.0036900 k( 191) = ( 0.6213810 0.3786190 -0.0000000), wk = 0.0036900 k( 192) = ( 0.6142409 0.3857591 -0.0000000), wk = 0.0036900 k( 193) = ( 0.6071009 0.3928991 -0.0000000), wk = 0.0036900 k( 194) = ( 0.5999608 0.4000392 -0.0000000), wk = 0.0036900 k( 195) = ( 0.5928208 0.4071792 -0.0000000), wk = 0.0036900 k( 196) = ( 0.5856807 0.4143193 0.0000000), wk = 0.0036900 k( 197) = ( 0.5785406 0.4214594 0.0000000), wk = 0.0036900 k( 198) = ( 0.5714006 0.4285994 0.0000000), wk = 0.0036900 k( 199) = ( 0.5642605 0.4357395 0.0000000), wk = 0.0036900 k( 200) = ( 0.5571205 0.4428795 0.0000000), wk = 0.0036900 k( 201) = ( 0.5499804 0.4500196 -0.0000000), wk = 0.0036900 k( 202) = ( 0.5428403 0.4571597 -0.0000000), wk = 0.0036900 k( 203) = ( 0.5357003 0.4642997 -0.0000000), wk = 0.0036900 k( 204) = ( 0.5285602 0.4714398 -0.0000000), wk = 0.0036900 k( 205) = ( 0.5214202 0.4785798 -0.0000000), wk = 0.0036900 k( 206) = ( 0.5142801 0.4857199 0.0000000), wk = 0.0036900 k( 207) = ( 0.5071401 0.4928599 0.0000000), wk = 0.0036900 k( 208) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 209) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036900 k( 210) = ( 0.5196352 0.5196352 0.0232297), wk = 0.0036900 k( 211) = ( 0.5392703 0.5392703 0.0464594), wk = 0.0036900 k( 212) = ( 0.5589055 0.5589055 0.0696890), wk = 0.0036900 k( 213) = ( 0.5785406 0.5785406 0.0929187), wk = 0.0036900 k( 214) = ( 0.5981758 0.5981758 0.1161484), wk = 0.0036900 k( 215) = ( 0.6178110 0.6178110 0.1393781), wk = 0.0036900 k( 216) = ( 0.6374461 0.6374461 0.1626077), wk = 0.0036900 k( 217) = ( 0.6570813 0.6570813 0.1858374), wk = 0.0036900 k( 218) = ( 0.6570813 0.6570813 0.1858374), wk = 0.0036900 k( 219) = ( 0.6529476 0.6529476 0.1941049), wk = 0.0036900 k( 220) = ( 0.6488139 0.6488139 0.2023723), wk = 0.0036900 k( 221) = ( 0.6446801 0.6446801 0.2106397), wk = 0.0036900 k( 222) = ( 0.6405464 0.6405464 0.2189072), wk = 0.0036900 k( 223) = ( 0.6364127 0.6364127 0.2271746), wk = 0.0036900 k( 224) = ( 0.6322790 0.6322790 0.2354420), wk = 0.0036900 k( 225) = ( 0.6281453 0.6281453 0.2437095), wk = 0.0036900 k( 226) = ( 0.6240115 0.6240115 0.2519769), wk = 0.0036900 k( 227) = ( 0.6198778 0.6198778 0.2602444), wk = 0.0036900 k( 228) = ( 0.6157441 0.6157441 0.2685118), wk = 0.0036900 k( 229) = ( 0.6116104 0.6116104 0.2767792), wk = 0.0036900 k( 230) = ( 0.6074767 0.6074767 0.2850467), wk = 0.0036900 k( 231) = ( 0.6033430 0.6033430 0.2933141), wk = 0.0036900 k( 232) = ( 0.5992092 0.5992092 0.3015815), wk = 0.0036900 k( 233) = ( 0.5950755 0.5950755 0.3098490), wk = 0.0036900 k( 234) = ( 0.5909418 0.5909418 0.3181164), wk = 0.0036900 k( 235) = ( 0.5868081 0.5868081 0.3263838), wk = 0.0036900 k( 236) = ( 0.5826744 0.5826744 0.3346513), wk = 0.0036900 k( 237) = ( 0.5785406 0.5785406 0.3429187), wk = 0.0036900 k( 238) = ( 0.5744069 0.5744069 0.3511862), wk = 0.0036900 k( 239) = ( 0.5702732 0.5702732 0.3594536), wk = 0.0036900 k( 240) = ( 0.5661395 0.5661395 0.3677210), wk = 0.0036900 k( 241) = ( 0.5620058 0.5620058 0.3759885), wk = 0.0036900 k( 242) = ( 0.5578720 0.5578720 0.3842559), wk = 0.0036900 k( 243) = ( 0.5537383 0.5537383 0.3925233), wk = 0.0036900 k( 244) = ( 0.5496046 0.5496046 0.4007908), wk = 0.0036900 k( 245) = ( 0.5454709 0.5454709 0.4090582), wk = 0.0036900 k( 246) = ( 0.5413372 0.5413372 0.4173256), wk = 0.0036900 k( 247) = ( 0.5372035 0.5372035 0.4255931), wk = 0.0036900 k( 248) = ( 0.5330697 0.5330697 0.4338605), wk = 0.0036900 k( 249) = ( 0.5289360 0.5289360 0.4421279), wk = 0.0036900 k( 250) = ( 0.5248023 0.5248023 0.4503954), wk = 0.0036900 k( 251) = ( 0.5206686 0.5206686 0.4586628), wk = 0.0036900 k( 252) = ( 0.5165349 0.5165349 0.4669303), wk = 0.0036900 k( 253) = ( 0.5124011 0.5124011 0.4751977), wk = 0.0036900 k( 254) = ( 0.5082674 0.5082674 0.4834651), wk = 0.0036900 k( 255) = ( 0.5041337 0.5041337 0.4917326), wk = 0.0036900 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036900 k( 257) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 258) = ( 0.5224402 0.0244942 0.0244942), wk = 0.0036900 k( 259) = ( 0.5448804 0.0489884 0.0489884), wk = 0.0036900 k( 260) = ( 0.5673206 0.0734826 0.0734826), wk = 0.0036900 k( 261) = ( 0.5897607 0.0979768 0.0979768), wk = 0.0036900 k( 262) = ( 0.6122009 0.1224710 0.1224710), wk = 0.0036900 k( 263) = ( 0.6346411 0.1469652 0.1469652), wk = 0.0036900 k( 264) = ( 0.6570813 0.1714594 0.1714594), wk = 0.0036900 k( 265) = ( 0.6795215 0.1959536 0.1959536), wk = 0.0036900 k( 266) = ( 0.7019616 0.2204477 0.2204477), wk = 0.0036900 k( 267) = ( 0.7244018 0.2449419 0.2449419), wk = 0.0036900 k( 268) = ( 0.7468420 0.2694361 0.2694361), wk = 0.0036900 k( 269) = ( 0.7692822 0.2939303 0.2939303), wk = 0.0036900 k( 270) = ( 0.7917224 0.3184245 0.3184245), wk = 0.0036900 k( 271) = ( 0.8141626 0.3429187 0.3429187), wk = 0.0036900 Dense grid: 152277 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 38865 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 284, 48) NL pseudopotentials 0.29 Mb ( 142, 136) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 4230) G-vector shells 0.03 Mb ( 3461) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 284, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./TlBiTe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.1 secs Computing kpt #: 11 total cpu time spent up to now is 10.7 secs Computing kpt #: 12 total cpu time spent up to now is 11.4 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 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.0 secs Computing kpt 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total cpu time spent up to now is 161.6 secs Computing kpt #: 233 total cpu time spent up to now is 162.3 secs Computing kpt #: 234 total cpu time spent up to now is 163.0 secs Computing kpt #: 235 total cpu time spent up to now is 163.6 secs Computing kpt #: 236 total cpu time spent up to now is 164.3 secs Computing kpt #: 237 total cpu time spent up to now is 165.0 secs Computing kpt #: 238 total cpu time spent up to now is 165.7 secs Computing kpt #: 239 total cpu time spent up to now is 166.4 secs Computing kpt #: 240 total cpu time spent up to now is 167.1 secs Computing kpt #: 241 total cpu time spent up to now is 167.7 secs Computing kpt #: 242 total cpu time spent up to now is 168.4 secs Computing kpt #: 243 total cpu time spent up to now is 169.1 secs Computing kpt #: 244 total cpu time spent up to now is 169.7 secs Computing kpt #: 245 total cpu time spent up to now is 170.4 secs Computing kpt #: 246 total cpu time spent up to now is 171.1 secs Computing kpt #: 247 total cpu time spent up to now is 171.8 secs Computing kpt #: 248 total cpu time spent up to now is 172.4 secs Computing kpt #: 249 total cpu time spent up to now is 173.1 secs Computing kpt #: 250 total cpu time spent up to now is 173.8 secs Computing kpt #: 251 total cpu time spent up to now is 174.4 secs Computing kpt #: 252 total cpu time spent up to now is 175.1 secs Computing kpt #: 253 total cpu time spent up to now is 175.8 secs Computing kpt #: 254 total cpu time spent up to now is 176.4 secs Computing kpt #: 255 total cpu time spent up to now is 177.1 secs Computing kpt #: 256 total cpu time spent up to now is 177.7 secs Computing kpt #: 257 total cpu time spent up to now is 178.4 secs Computing kpt #: 258 total cpu time spent up to now is 179.1 secs Computing kpt #: 259 total cpu time spent up to now is 179.8 secs Computing kpt #: 260 total cpu time spent up to now is 180.4 secs Computing kpt #: 261 total cpu time spent up to now is 181.1 secs Computing kpt #: 262 total cpu time spent up to now is 181.8 secs Computing kpt #: 263 total cpu time spent up to now is 182.4 secs Computing kpt #: 264 total cpu time spent up to now is 183.1 secs Computing kpt #: 265 total cpu time spent up to now is 183.8 secs Computing kpt #: 266 total cpu time spent up to now is 184.5 secs Computing kpt #: 267 total cpu time spent up to now is 185.1 secs Computing kpt #: 268 total cpu time spent up to now is 185.8 secs Computing kpt #: 269 total cpu time spent up to now is 186.5 secs Computing kpt #: 270 total cpu time spent up to now is 187.1 secs Computing kpt #: 271 total cpu time spent up to now is 187.8 secs ethr = 2.50E-08, avg # of iterations = 18.4 total cpu time spent up to now is 187.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4825 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2018 -5.2018 -4.8871 -4.8871 -4.8713 -4.8713 -3.5273 -3.5273 -2.7540 -2.7540 -2.7130 -2.7130 -2.6957 -2.6957 -2.0503 -2.0503 2.3526 2.3526 4.6789 4.6789 5.9282 5.9282 6.0417 6.0417 6.1319 6.1319 6.6431 6.6431 6.9344 6.9344 7.6256 7.6256 8.4172 8.4172 8.7861 8.7861 10.4740 10.4740 k = 0.0122-0.0193-0.0118 ( 4833 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2007 -5.2007 -4.8872 -4.8872 -4.8713 -4.8713 -3.5271 -3.5271 -2.7537 -2.7537 -2.7127 -2.7127 -2.6957 -2.6957 -2.0502 -2.0502 2.3494 2.3494 4.6796 4.6796 5.9277 5.9277 6.0305 6.0305 6.1371 6.1371 6.6165 6.6165 6.9485 6.9485 7.6232 7.6232 8.4290 8.4290 8.7994 8.7994 10.4709 10.4709 k = 0.0244-0.0386-0.0235 ( 4840 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1895 -14.1895 -14.1882 -14.1882 -5.1973 -5.1973 -4.8873 -4.8873 -4.8715 -4.8715 -3.5264 -3.5264 -2.7529 -2.7529 -2.7120 -2.7120 -2.6955 -2.6955 -2.0499 -2.0499 2.3398 2.3398 4.6817 4.6817 5.9254 5.9254 6.0011 6.0011 6.1493 6.1493 6.5521 6.5521 6.9756 6.9756 7.6192 7.6192 8.4617 8.4617 8.8390 8.8390 10.4618 10.4618 k = 0.0366-0.0579-0.0353 ( 4845 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.1916 -5.1916 -4.8875 -4.8875 -4.8718 -4.8718 -3.5254 -3.5254 -2.7516 -2.7516 -2.7107 -2.7107 -2.6952 -2.6952 -2.0494 -2.0494 2.3241 2.3241 4.6847 4.6847 5.9139 5.9139 5.9633 5.9633 6.1645 6.1645 6.4718 6.4718 6.9949 6.9949 7.6206 7.6206 8.5095 8.5095 8.9027 8.9027 10.4473 10.4473 k = 0.0488-0.0772-0.0470 ( 4846 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.1837 -5.1837 -4.8879 -4.8879 -4.8722 -4.8722 -3.5240 -3.5240 -2.7499 -2.7499 -2.7088 -2.7088 -2.6948 -2.6948 -2.0487 -2.0487 2.3028 2.3028 4.6879 4.6879 5.8686 5.8686 5.9401 5.9401 6.1826 6.1826 6.3896 6.3896 6.9963 6.9963 7.6338 7.6338 8.5668 8.5668 8.9862 8.9862 10.4289 10.4289 k = 0.0610-0.0965-0.0588 ( 4847 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1882 -14.1882 -5.1736 -5.1736 -4.8883 -4.8883 -4.8726 -4.8726 -3.5221 -3.5221 -2.7480 -2.7480 -2.7064 -2.7064 -2.6942 -2.6942 -2.0479 -2.0479 2.2764 2.2764 4.6903 4.6903 5.7904 5.7904 5.9283 5.9283 6.2047 6.2047 6.3134 6.3134 6.9783 6.9783 7.6606 7.6606 8.6302 8.6302 9.0825 9.0825 10.4089 10.4089 k = 0.0732-0.1157-0.0706 ( 4851 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1881 -14.1881 -5.1613 -5.1613 -4.8889 -4.8889 -4.8730 -4.8730 -3.5198 -3.5198 -2.7461 -2.7461 -2.7034 -2.7034 -2.6932 -2.6932 -2.0470 -2.0470 2.2456 2.2456 4.6909 4.6909 5.6925 5.6925 5.9146 5.9146 6.2290 6.2290 6.2501 6.2501 6.9445 6.9445 7.6991 7.6991 8.6981 8.6981 9.1822 9.1822 10.3917 10.3917 k = 0.0854-0.1350-0.0823 ( 4843 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1897 -14.1897 -14.1881 -14.1881 -5.1468 -5.1468 -4.8895 -4.8895 -4.8735 -4.8735 -3.5171 -3.5171 -2.7442 -2.7442 -2.7002 -2.7002 -2.6915 -2.6915 -2.0459 -2.0459 2.2110 2.2110 4.6883 4.6883 5.5809 5.5809 5.8958 5.8958 6.1878 6.1878 6.2684 6.2684 6.8997 6.8997 7.7457 7.7457 8.7695 8.7695 9.2739 9.2739 10.3839 10.3839 k = 0.0976-0.1543-0.0941 ( 4850 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1979 -14.1979 -14.1897 -14.1897 -14.1881 -14.1881 -5.1302 -5.1302 -4.8903 -4.8903 -4.8738 -4.8738 -3.5139 -3.5139 -2.7425 -2.7425 -2.6976 -2.6976 -2.6885 -2.6885 -2.0449 -2.0449 2.1736 2.1736 4.6808 4.6808 5.4611 5.4611 5.8714 5.8714 6.1395 6.1395 6.3084 6.3084 6.8486 6.8486 7.7967 7.7967 8.8435 8.8435 9.3452 9.3452 10.3943 10.3943 k = 0.1098-0.1736-0.1058 ( 4848 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1978 -14.1978 -14.1898 -14.1898 -14.1880 -14.1880 -5.1117 -5.1117 -4.8912 -4.8912 -4.8740 -4.8740 -3.5103 -3.5103 -2.7410 -2.7410 -2.6957 -2.6957 -2.6838 -2.6838 -2.0440 -2.0440 2.1338 2.1338 4.6660 4.6660 5.3390 5.3390 5.8417 5.8417 6.0970 6.0970 6.3539 6.3539 6.7948 6.7948 7.8495 7.8495 8.9190 8.9190 9.3852 9.3852 10.4312 10.4312 k = 0.1220-0.1929-0.1176 ( 4851 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1977 -14.1977 -14.1899 -14.1899 -14.1879 -14.1879 -5.0913 -5.0913 -4.8920 -4.8920 -4.8740 -4.8740 -3.5063 -3.5063 -2.7397 -2.7397 -2.6944 -2.6944 -2.6780 -2.6780 -2.0432 -2.0432 2.0926 2.0926 4.6409 4.6409 5.2204 5.2204 5.8078 5.8078 6.0585 6.0585 6.4021 6.4021 6.7420 6.7420 7.9019 7.9019 8.9942 8.9942 9.3904 9.3904 10.4969 10.4969 k = 0.1341-0.2122-0.1294 ( 4855 PWs) bands (ev): -17.1791 -17.1791 -17.1730 -17.1730 -14.1976 -14.1976 -14.1900 -14.1900 -14.1879 -14.1879 -5.0692 -5.0692 -4.8927 -4.8927 -4.8738 -4.8738 -3.5020 -3.5020 -2.7387 -2.7387 -2.6932 -2.6932 -2.6714 -2.6714 -2.0427 -2.0427 2.0505 2.0505 4.6011 4.6011 5.1118 5.1118 5.7707 5.7707 6.0225 6.0225 6.4474 6.4474 6.6964 6.6964 7.9519 7.9519 9.0649 9.0649 9.3682 9.3682 10.5846 10.5846 k = 0.1463-0.2315-0.1411 ( 4855 PWs) bands (ev): -17.1791 -17.1791 -17.1730 -17.1730 -14.1975 -14.1975 -14.1901 -14.1901 -14.1878 -14.1878 -5.0457 -5.0457 -4.8931 -4.8931 -4.8732 -4.8732 -3.4972 -3.4972 -2.7378 -2.7378 -2.6922 -2.6922 -2.6644 -2.6644 -2.0425 -2.0425 2.0081 2.0081 4.5421 4.5421 5.0195 5.0195 5.7314 5.7314 5.9879 5.9879 6.4755 6.4755 6.6715 6.6715 7.9975 7.9975 9.1195 9.1195 9.3391 9.3391 10.6813 10.6813 k = 0.1585-0.2508-0.1529 ( 4862 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1974 -14.1974 -14.1901 -14.1901 -14.1877 -14.1877 -5.0215 -5.0215 -4.8927 -4.8927 -4.8721 -4.8721 -3.4920 -3.4920 -2.7371 -2.7371 -2.6911 -2.6911 -2.6572 -2.6572 -2.0428 -2.0428 1.9660 1.9660 4.4622 4.4622 4.9466 4.9466 5.6910 5.6910 5.9538 5.9538 6.4679 6.4679 6.6847 6.6847 8.0368 8.0368 9.1297 9.1297 9.3415 9.3415 10.7709 10.7709 k = 0.1707-0.2701-0.1646 ( 4864 PWs) bands (ev): -17.1789 -17.1789 -17.1730 -17.1730 -14.1973 -14.1973 -14.1902 -14.1902 -14.1876 -14.1876 -4.9976 -4.9976 -4.8913 -4.8913 -4.8697 -4.8697 -3.4865 -3.4865 -2.7366 -2.7366 -2.6901 -2.6901 -2.6499 -2.6499 -2.0438 -2.0438 1.9247 1.9247 4.3643 4.3643 4.8915 4.8915 5.6500 5.6500 5.9198 5.9198 6.4316 6.4316 6.7272 6.7272 8.0677 8.0677 9.0908 9.0908 9.3894 9.3894 10.8393 10.8393 k = 0.1829-0.2894-0.1764 ( 4860 PWs) bands (ev): -17.1789 -17.1789 -17.1730 -17.1730 -14.1972 -14.1972 -14.1903 -14.1903 -14.1876 -14.1876 -4.9758 -4.9758 -4.8887 -4.8887 -4.8645 -4.8645 -3.4807 -3.4807 -2.7361 -2.7361 -2.6889 -2.6889 -2.6427 -2.6427 -2.0456 -2.0456 1.8846 1.8846 4.2548 4.2548 4.8490 4.8490 5.6089 5.6089 5.8855 5.8855 6.3838 6.3838 6.7786 6.7786 8.0884 8.0884 9.0369 9.0369 9.4569 9.4569 10.8802 10.8802 k = 0.1951-0.3087-0.1882 ( 4854 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1971 -14.1971 -14.1904 -14.1904 -14.1875 -14.1875 -4.9587 -4.9587 -4.8854 -4.8854 -4.8531 -4.8531 -3.4747 -3.4747 -2.7357 -2.7357 -2.6878 -2.6878 -2.6358 -2.6358 -2.0483 -2.0483 1.8461 1.8461 4.1395 4.1395 4.8142 4.8142 5.5682 5.5682 5.8508 5.8508 6.3327 6.3327 6.8274 6.8274 8.0986 8.0986 8.9889 8.9889 9.5296 9.5296 10.8977 10.8977 k = 0.2073-0.3279-0.1999 ( 4862 PWs) bands (ev): -17.1787 -17.1787 -17.1731 -17.1731 -14.1970 -14.1970 -14.1904 -14.1904 -14.1874 -14.1874 -4.9479 -4.9479 -4.8829 -4.8829 -4.8329 -4.8329 -3.4685 -3.4685 -2.7354 -2.7354 -2.6866 -2.6866 -2.6291 -2.6291 -2.0522 -2.0522 1.8093 1.8093 4.0227 4.0227 4.7840 4.7840 5.5281 5.5281 5.8157 5.8157 6.2811 6.2811 6.8655 6.8655 8.1006 8.1006 8.9557 8.9557 9.6027 9.6027 10.9002 10.9002 k = 0.2195-0.3472-0.2117 ( 4864 PWs) bands (ev): -17.1786 -17.1786 -17.1731 -17.1731 -14.1969 -14.1969 -14.1905 -14.1905 -14.1872 -14.1872 -4.9423 -4.9423 -4.8814 -4.8814 -4.8046 -4.8046 -3.4621 -3.4621 -2.7352 -2.7352 -2.6854 -2.6854 -2.6229 -2.6229 -2.0573 -2.0573 1.7745 1.7745 3.9075 3.9075 4.7562 4.7562 5.4889 5.4889 5.7801 5.7801 6.2302 6.2302 6.8859 6.8859 8.1006 8.1006 8.9399 8.9399 9.6742 9.6742 10.8945 10.8945 k = 0.2317-0.3665-0.2235 ( 4866 PWs) bands (ev): -17.1786 -17.1786 -17.1731 -17.1731 -14.1968 -14.1968 -14.1906 -14.1906 -14.1871 -14.1871 -4.9400 -4.9400 -4.8804 -4.8804 -4.7706 -4.7706 -3.4558 -3.4558 -2.7350 -2.7350 -2.6842 -2.6842 -2.6171 -2.6171 -2.0639 -2.0639 1.7418 1.7418 3.7959 3.7959 4.7299 4.7299 5.4507 5.4507 5.7442 5.7442 6.1806 6.1806 6.8823 6.8823 8.1068 8.1068 8.9405 8.9405 9.7430 9.7430 10.8849 10.8849 k = 0.2439-0.3858-0.2352 ( 4868 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1968 -14.1968 -14.1906 -14.1906 -14.1870 -14.1870 -4.9395 -4.9395 -4.8796 -4.8796 -4.7327 -4.7327 -3.4494 -3.4494 -2.7348 -2.7348 -2.6829 -2.6829 -2.6119 -2.6119 -2.0720 -2.0720 1.7110 1.7110 3.6896 3.6896 4.7044 4.7044 5.4136 5.4136 5.7078 5.7078 6.1327 6.1327 6.8512 6.8512 8.1266 8.1266 8.9546 8.9546 9.8083 9.8083 10.8735 10.8735 k = 0.2561-0.4051-0.2470 ( 4871 PWs) bands (ev): -17.1784 -17.1784 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1869 -14.1869 -4.9400 -4.9400 -4.8791 -4.8791 -4.6920 -4.6920 -3.4433 -3.4433 -2.7347 -2.7347 -2.6817 -2.6817 -2.6072 -2.6072 -2.0818 -2.0818 1.6821 1.6821 3.5897 3.5897 4.6795 4.6795 5.3778 5.3778 5.6712 5.6712 6.0865 6.0865 6.7926 6.7926 8.1635 8.1635 8.9792 8.9792 9.8696 9.8696 10.8617 10.8617 k = 0.2683-0.4244-0.2587 ( 4878 PWs) bands (ev): -17.1783 -17.1783 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1867 -14.1867 -4.9411 -4.9411 -4.8787 -4.8787 -4.6489 -4.6489 -3.4374 -3.4374 -2.7345 -2.7345 -2.6804 -2.6804 -2.6031 -2.6031 -2.0932 -2.0932 1.6549 1.6549 3.4975 3.4975 4.6549 4.6549 5.3431 5.3431 5.6342 5.6342 6.0424 6.0424 6.7102 6.7102 8.2167 8.2167 9.0119 9.0119 9.9267 9.9267 10.8500 10.8500 k = 0.2805-0.4437-0.2705 ( 4874 PWs) bands (ev): -17.1783 -17.1783 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1866 -14.1866 -4.9425 -4.9425 -4.8783 -4.8783 -4.6039 -4.6039 -3.4319 -3.4319 -2.7344 -2.7344 -2.6792 -2.6792 -2.5995 -2.5995 -2.1065 -2.1065 1.6291 1.6291 3.4140 3.4140 4.6308 4.6308 5.3096 5.3096 5.5969 5.5969 6.0001 6.0001 6.6095 6.6095 8.2827 8.2827 9.0513 9.0513 9.9793 9.9793 10.8387 10.8387 k = 0.2927-0.4630-0.2823 ( 4870 PWs) bands (ev): -17.1782 -17.1782 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1865 -14.1865 -4.9442 -4.9442 -4.8780 -4.8780 -4.5573 -4.5573 -3.4270 -3.4270 -2.7343 -2.7343 -2.6779 -2.6779 -2.5966 -2.5966 -2.1214 -2.1214 1.6043 1.6043 3.3399 3.3399 4.6072 4.6072 5.2773 5.2773 5.5591 5.5591 5.9598 5.9598 6.4961 6.4961 8.3570 8.3570 9.0969 9.0969 10.0275 10.0275 10.8280 10.8280 k = 0.3049-0.4823-0.2940 ( 4872 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1863 -14.1863 -4.9458 -4.9458 -4.8777 -4.8777 -4.5092 -4.5092 -3.4229 -3.4229 -2.7342 -2.7342 -2.6767 -2.6767 -2.5943 -2.5943 -2.1380 -2.1380 1.5801 1.5801 3.2763 3.2763 4.5841 4.5841 5.2459 5.2459 5.5207 5.5207 5.9213 5.9213 6.3751 6.3751 8.4350 8.4350 9.1490 9.1490 10.0714 10.0714 10.8178 10.8178 k = 0.3171-0.5016-0.3058 ( 4870 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1967 -14.1967 -14.1908 -14.1908 -14.1862 -14.1862 -4.9476 -4.9476 -4.8774 -4.8774 -4.4598 -4.4598 -3.4197 -3.4197 -2.7340 -2.7340 -2.6756 -2.6756 -2.5925 -2.5925 -2.1562 -2.1562 1.5561 1.5561 3.2237 3.2237 4.5616 4.5616 5.2153 5.2153 5.4812 5.4812 5.8844 5.8844 6.2510 6.2510 8.5127 8.5127 9.2080 9.2080 10.1113 10.1113 10.8082 10.8082 k = 0.3293-0.5209-0.3175 ( 4868 PWs) bands (ev): -17.1780 -17.1780 -17.1731 -17.1731 -14.1968 -14.1968 -14.1907 -14.1907 -14.1861 -14.1861 -4.9493 -4.9493 -4.8771 -4.8771 -4.4095 -4.4095 -3.4177 -3.4177 -2.7339 -2.7339 -2.6744 -2.6744 -2.5913 -2.5913 -2.1756 -2.1756 1.5319 1.5319 3.1828 3.1828 4.5398 4.5398 5.1850 5.1850 5.4400 5.4400 5.8487 5.8487 6.1282 6.1282 8.5866 8.5866 9.2750 9.2750 10.1477 10.1477 10.7991 10.7991 k = 0.3415-0.5401-0.3293 ( 4863 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1968 -14.1968 -14.1907 -14.1907 -14.1859 -14.1859 -4.9509 -4.9509 -4.8769 -4.8769 -4.3583 -4.3583 -3.4171 -3.4171 -2.7337 -2.7337 -2.6734 -2.6734 -2.5906 -2.5906 -2.1961 -2.1961 1.5075 1.5075 3.1539 3.1539 4.5187 4.5187 5.1542 5.1542 5.3963 5.3963 5.8128 5.8128 6.0118 6.0118 8.6540 8.6540 9.3500 9.3500 10.1810 10.1810 10.7905 10.7905 k = 0.3537-0.5594-0.3411 ( 4867 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1858 -14.1858 -4.9525 -4.9525 -4.8767 -4.8767 -4.3064 -4.3064 -3.4181 -3.4181 -2.7335 -2.7335 -2.6724 -2.6724 -2.5904 -2.5904 -2.2174 -2.2174 1.4826 1.4826 3.1370 3.1370 4.4984 4.4984 5.1217 5.1217 5.3495 5.3495 5.7737 5.7737 5.9087 5.9087 8.7135 8.7135 9.4329 9.4329 10.2121 10.2121 10.7825 10.7825 k = 0.3659-0.5787-0.3528 ( 4873 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1856 -14.1856 -4.9540 -4.9540 -4.8765 -4.8765 -4.2542 -4.2542 -3.4209 -3.4209 -2.7332 -2.7332 -2.6715 -2.6715 -2.5907 -2.5907 -2.2391 -2.2391 1.4574 1.4574 3.1321 3.1321 4.4789 4.4789 5.0848 5.0848 5.2998 5.2998 5.7242 5.7242 5.8300 5.8300 8.7644 8.7644 9.5221 9.5221 10.2419 10.2419 10.7752 10.7752 k = 0.3780-0.5980-0.3646 ( 4866 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1855 -14.1855 -4.9554 -4.9554 -4.8763 -4.8763 -4.2019 -4.2019 -3.4258 -3.4258 -2.7329 -2.7329 -2.6706 -2.6706 -2.5914 -2.5914 -2.2608 -2.2608 1.4321 1.4321 3.1386 3.1386 4.4600 4.4600 5.0395 5.0395 5.2495 5.2495 5.6627 5.6627 5.7805 5.7805 8.8073 8.8073 9.6152 9.6152 10.2716 10.2716 10.7688 10.7688 k = 0.3902-0.6173-0.3763 ( 4864 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1854 -14.1854 -4.9566 -4.9566 -4.8762 -4.8762 -4.1498 -4.1498 -3.4331 -3.4331 -2.7326 -2.7326 -2.6698 -2.6698 -2.5924 -2.5924 -2.2821 -2.2821 1.4070 1.4070 3.1560 3.1560 4.4417 4.4417 4.9810 4.9810 5.2036 5.2036 5.6023 5.6023 5.7481 5.7481 8.8429 8.8429 9.7089 9.7089 10.3026 10.3026 10.7634 10.7634 k = 0.4024-0.6366-0.3881 ( 4865 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1971 -14.1971 -14.1907 -14.1907 -14.1853 -14.1853 -4.9578 -4.9578 -4.8760 -4.8760 -4.0982 -4.0982 -3.4428 -3.4428 -2.7323 -2.7323 -2.6691 -2.6691 -2.5936 -2.5936 -2.3026 -2.3026 1.3828 1.3828 3.1833 3.1833 4.4234 4.4234 4.9080 4.9080 5.1663 5.1663 5.5513 5.5513 5.7236 5.7236 8.8722 8.8722 9.7991 9.7991 10.3367 10.3367 10.7596 10.7596 k = 0.4146-0.6559-0.3999 ( 4870 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1971 -14.1971 -14.1906 -14.1906 -14.1852 -14.1852 -4.9588 -4.9588 -4.8759 -4.8759 -4.0475 -4.0475 -3.4551 -3.4551 -2.7320 -2.7320 -2.6685 -2.6685 -2.5951 -2.5951 -2.3217 -2.3217 1.3598 1.3598 3.2192 3.2192 4.4046 4.4046 4.8244 4.8244 5.1378 5.1378 5.5105 5.5105 5.7035 5.7035 8.8962 8.8962 9.8816 9.8816 10.3757 10.3757 10.7581 10.7581 k = 0.4268-0.6752-0.4116 ( 4872 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1851 -14.1851 -4.9597 -4.9597 -4.8758 -4.8758 -3.9984 -3.9984 -3.4700 -3.4700 -2.7317 -2.7317 -2.6680 -2.6680 -2.5967 -2.5967 -2.3392 -2.3392 1.3386 1.3386 3.2622 3.2622 4.3838 4.3838 4.7378 4.7378 5.1162 5.1162 5.4785 5.4785 5.6869 5.6869 8.9156 8.9156 9.9523 9.9523 10.4203 10.4203 10.7599 10.7599 k = 0.4390-0.6945-0.4234 ( 4862 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1850 -14.1850 -4.9604 -4.9604 -4.8757 -4.8757 -3.9514 -3.9514 -3.4871 -3.4871 -2.7313 -2.7313 -2.6676 -2.6676 -2.5983 -2.5983 -2.3545 -2.3545 1.3197 1.3197 3.3105 3.3105 4.3591 4.3591 4.6559 4.6559 5.0998 5.0998 5.4535 5.4535 5.6731 5.6731 8.9311 8.9311 10.0088 10.0088 10.4688 10.4688 10.7667 10.7667 k = 0.4512-0.7138-0.4351 ( 4860 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1850 -14.1850 -4.9611 -4.9611 -4.8756 -4.8756 -3.9075 -3.9075 -3.5060 -3.5060 -2.7311 -2.7311 -2.6672 -2.6672 -2.5998 -2.5998 -2.3675 -2.3675 1.3037 1.3037 3.3612 3.3612 4.3276 4.3276 4.5867 4.5867 5.0874 5.0874 5.4344 5.4344 5.6619 5.6619 8.9432 8.9432 10.0509 10.0509 10.5161 10.5161 10.7806 10.7806 k = 0.4634-0.7330-0.4469 ( 4860 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9616 -4.9616 -4.8755 -4.8755 -3.8682 -3.8682 -3.5254 -3.5254 -2.7308 -2.7308 -2.6670 -2.6670 -2.6011 -2.6011 -2.3779 -2.3779 1.2907 1.2907 3.4109 3.4109 4.2889 4.2889 4.5358 4.5358 5.0781 5.0781 5.4203 5.4203 5.6533 5.6533 8.9523 8.9523 10.0804 10.0804 10.5551 10.5551 10.8025 10.8025 k = 0.4756-0.7523-0.4587 ( 4857 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9619 -4.9619 -4.8755 -4.8755 -3.8358 -3.8358 -3.5435 -3.5435 -2.7306 -2.7306 -2.6668 -2.6668 -2.6021 -2.6021 -2.3854 -2.3854 1.2813 1.2813 3.4543 3.4543 4.2483 4.2483 4.5040 4.5040 5.0718 5.0718 5.4106 5.4106 5.6472 5.6472 8.9586 8.9586 10.0995 10.0995 10.5817 10.5817 10.8292 10.8292 k = 0.4878-0.7716-0.4704 ( 4857 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9621 -4.9621 -4.8754 -4.8754 -3.8136 -3.8136 -3.5571 -3.5571 -2.7305 -2.7305 -2.6667 -2.6667 -2.6027 -2.6027 -2.3899 -2.3899 1.2755 1.2755 3.4849 3.4849 4.2169 4.2169 4.4873 4.4873 5.0680 5.0680 5.4048 5.4048 5.6435 5.6435 8.9623 8.9623 10.1102 10.1102 10.5960 10.5960 10.8517 10.8517 k = 0.5000-0.7909-0.4822 ( 4848 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9622 -4.9622 -4.8754 -4.8754 -3.8055 -3.8055 -3.5622 -3.5622 -2.7305 -2.7305 -2.6666 -2.6666 -2.6030 -2.6030 -2.3914 -2.3914 1.2736 1.2736 3.4960 3.4960 4.2050 4.2050 4.4822 4.4822 5.0668 5.0668 5.4029 5.4029 5.6423 5.6423 8.9635 8.9635 10.1136 10.1136 10.6004 10.6004 10.8605 10.8605 k = 0.5000-0.7909-0.4822 ( 4848 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9622 -4.9622 -4.8754 -4.8754 -3.8055 -3.8055 -3.5622 -3.5622 -2.7305 -2.7305 -2.6666 -2.6666 -2.6030 -2.6030 -2.3914 -2.3914 1.2736 1.2736 3.4960 3.4960 4.2050 4.2050 4.4822 4.4822 5.0668 5.0668 5.4029 5.4029 5.6423 5.6423 8.9635 8.9635 10.1136 10.1136 10.6004 10.6004 10.8605 10.8605 k = 0.5000-0.7775-0.5041 ( 4846 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9621 -4.9621 -4.8756 -4.8756 -3.8045 -3.8045 -3.5618 -3.5618 -2.7332 -2.7332 -2.6672 -2.6672 -2.6004 -2.6004 -2.3915 -2.3915 1.2741 1.2741 3.4965 3.4965 4.2058 4.2058 4.4698 4.4698 5.0339 5.0339 5.4273 5.4273 5.6671 5.6671 8.9539 8.9539 10.0830 10.0830 10.6177 10.6177 10.8653 10.8653 k = 0.5000-0.7642-0.5261 ( 4854 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9618 -4.9618 -4.8759 -4.8759 -3.8013 -3.8013 -3.5605 -3.5605 -2.7410 -2.7410 -2.6683 -2.6683 -2.5936 -2.5936 -2.3917 -2.3917 1.2757 1.2757 3.4977 3.4977 4.2082 4.2082 4.4349 4.4349 4.9555 4.9555 5.4849 5.4849 5.7342 5.7342 8.9255 8.9255 10.0041 10.0041 10.6531 10.6531 10.8840 10.8840 k = 0.5000-0.7508-0.5480 ( 4860 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9612 -4.9612 -4.8765 -4.8765 -3.7960 -3.7960 -3.5584 -3.5584 -2.7531 -2.7531 -2.6695 -2.6695 -2.5840 -2.5840 -2.3921 -2.3921 1.2783 1.2783 3.4997 3.4997 4.2119 4.2119 4.3831 4.3831 4.8575 4.8575 5.5594 5.5594 5.8288 5.8288 8.8798 8.8798 9.8975 9.8975 10.6805 10.6805 10.9249 10.9249 k = 0.5000-0.7374-0.5699 ( 4860 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1971 -14.1971 -14.1906 -14.1906 -14.1849 -14.1849 -4.9605 -4.9605 -4.8773 -4.8773 -3.7887 -3.7887 -3.5555 -3.5555 -2.7682 -2.7682 -2.6704 -2.6704 -2.5731 -2.5731 -2.3926 -2.3926 1.2818 1.2818 3.5021 3.5021 4.2159 4.2159 4.3209 4.3209 4.7529 4.7529 5.6444 5.6444 5.9387 5.9387 8.8190 8.8190 9.7762 9.7762 10.6909 10.6909 10.9876 10.9876 k = 0.5000-0.7240-0.5919 ( 4864 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1850 -14.1850 -4.9595 -4.9595 -4.8784 -4.8784 -3.7793 -3.7793 -3.5518 -3.5518 -2.7857 -2.7857 -2.6709 -2.6709 -2.5617 -2.5617 -2.3933 -2.3933 1.2862 1.2862 3.5045 3.5045 4.2146 4.2146 4.2587 4.2587 4.6476 4.6476 5.7366 5.7366 6.0562 6.0562 8.7456 8.7456 9.6469 9.6469 10.6894 10.6894 11.0632 11.0632 k = 0.5000-0.7107-0.6138 ( 4864 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1850 -14.1850 -4.9584 -4.9584 -4.8797 -4.8797 -3.7678 -3.7678 -3.5473 -3.5473 -2.8048 -2.8048 -2.6712 -2.6712 -2.5504 -2.5504 -2.3942 -2.3942 1.2913 1.2913 3.5063 3.5063 4.1703 4.1703 4.2366 4.2366 4.5463 4.5463 5.8331 5.8331 6.1771 6.1771 8.6627 8.6627 9.5138 9.5138 10.6823 10.6823 11.1442 11.1442 k = 0.5000-0.6973-0.6358 ( 4862 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1968 -14.1968 -14.1908 -14.1908 -14.1851 -14.1851 -4.9570 -4.9570 -4.8811 -4.8811 -3.7544 -3.7544 -3.5420 -3.5420 -2.8253 -2.8253 -2.6713 -2.6713 -2.5394 -2.5394 -2.3952 -2.3952 1.2970 1.2970 3.5066 3.5066 4.1035 4.1035 4.2330 4.2330 4.4552 4.4552 5.9315 5.9315 6.2986 6.2986 8.5728 8.5728 9.3798 9.3798 10.6725 10.6725 11.2268 11.2268 k = 0.5000-0.6839-0.6577 ( 4858 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1966 -14.1966 -14.1909 -14.1909 -14.1851 -14.1851 -4.9555 -4.9555 -4.8828 -4.8828 -3.7390 -3.7390 -3.5361 -3.5361 -2.8469 -2.8469 -2.6713 -2.6713 -2.5292 -2.5292 -2.3965 -2.3965 1.3031 1.3031 3.5041 3.5041 4.0386 4.0386 4.2141 4.2141 4.3877 4.3877 6.0292 6.0292 6.4187 6.4187 8.4789 8.4789 9.2473 9.2473 10.6616 10.6616 11.3092 11.3092 k = 0.5000-0.6705-0.6797 ( 4858 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1965 -14.1965 -14.1909 -14.1909 -14.1852 -14.1852 -4.9539 -4.9539 -4.8846 -4.8846 -3.7218 -3.7218 -3.5294 -3.5294 -2.8695 -2.8695 -2.6712 -2.6712 -2.5196 -2.5196 -2.3980 -2.3980 1.3095 1.3095 3.4973 3.4973 3.9800 3.9800 4.1642 4.1642 4.3591 4.3591 6.1240 6.1240 6.5353 6.5353 8.3838 8.3838 9.1184 9.1184 10.6500 10.6500 11.3902 11.3902 k = 0.5000-0.6572-0.7016 ( 4854 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1963 -14.1963 -14.1910 -14.1910 -14.1853 -14.1853 -4.9521 -4.9521 -4.8866 -4.8866 -3.7027 -3.7027 -3.5221 -3.5221 -2.8930 -2.8930 -2.6710 -2.6710 -2.5110 -2.5110 -2.3999 -2.3999 1.3159 1.3159 3.4845 3.4845 3.9299 3.9299 4.0946 4.0946 4.3593 4.3593 6.2135 6.2135 6.6464 6.6464 8.2904 8.2904 8.9957 8.9957 10.6380 10.6380 11.4683 11.4683 k = 0.5000-0.6438-0.7235 ( 4856 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1961 -14.1961 -14.1911 -14.1911 -14.1853 -14.1853 -4.9501 -4.9501 -4.8887 -4.8887 -3.6818 -3.6818 -3.5142 -3.5142 -2.9173 -2.9173 -2.6707 -2.6707 -2.5032 -2.5032 -2.4020 -2.4020 1.3221 1.3221 3.4642 3.4642 3.8880 3.8880 4.0240 4.0240 4.3724 4.3724 6.2950 6.2950 6.7494 6.7494 8.2022 8.2022 8.8816 8.8816 10.6254 10.6254 11.5415 11.5415 k = 0.5000-0.6304-0.7455 ( 4862 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1959 -14.1959 -14.1913 -14.1913 -14.1854 -14.1854 -4.9480 -4.9480 -4.8910 -4.8910 -3.6593 -3.6593 -3.5057 -3.5057 -2.9424 -2.9424 -2.6704 -2.6704 -2.4965 -2.4965 -2.4044 -2.4044 1.3277 1.3277 3.4365 3.4365 3.8496 3.8496 3.9652 3.9652 4.3918 4.3918 6.3657 6.3657 6.8409 6.8409 8.1228 8.1228 8.7793 8.7793 10.6122 10.6122 11.6066 11.6066 k = 0.5000-0.6170-0.7674 ( 4864 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1957 -14.1957 -14.1914 -14.1914 -14.1854 -14.1854 -4.9459 -4.9459 -4.8934 -4.8934 -3.6352 -3.6352 -3.4968 -3.4968 -2.9683 -2.9683 -2.6701 -2.6701 -2.4906 -2.4906 -2.4073 -2.4073 1.3326 1.3326 3.4030 3.4030 3.8056 3.8056 3.9291 3.9291 4.4149 4.4149 6.4224 6.4224 6.9164 6.9164 8.0571 8.0571 8.6921 8.6921 10.5984 10.5984 11.6596 11.6596 k = 0.5000-0.6037-0.7894 ( 4866 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1955 -14.1955 -14.1915 -14.1915 -14.1855 -14.1855 -4.9436 -4.9436 -4.8958 -4.8958 -3.6097 -3.6097 -3.4875 -3.4875 -2.9950 -2.9950 -2.6697 -2.6697 -2.4857 -2.4857 -2.4106 -2.4106 1.3365 1.3365 3.3661 3.3661 3.7543 3.7543 3.9168 3.9168 4.4409 4.4409 6.4621 6.4621 6.9704 6.9704 8.0103 8.0103 8.6238 8.6238 10.5837 10.5837 11.6977 11.6977 k = 0.5000-0.5903-0.8113 ( 4866 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1952 -14.1952 -14.1917 -14.1917 -14.1855 -14.1855 -4.9412 -4.9412 -4.8984 -4.8984 -3.5830 -3.5830 -3.4778 -3.4778 -3.0224 -3.0224 -2.6694 -2.6694 -2.4816 -2.4816 -2.4143 -2.4143 1.3390 1.3390 3.3284 3.3284 3.7024 3.7024 3.9201 3.9201 4.4692 4.4692 6.4822 6.4822 6.9977 6.9977 7.9873 7.9873 8.5774 8.5774 10.5683 10.5683 11.7203 11.7203 k = 0.5000-0.5769-0.8332 ( 4862 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1950 -14.1950 -14.1919 -14.1919 -14.1856 -14.1856 -4.9388 -4.9388 -4.9009 -4.9009 -3.5553 -3.5553 -3.4679 -3.4679 -3.0504 -3.0504 -2.6690 -2.6690 -2.4783 -2.4783 -2.4185 -2.4185 1.3400 1.3400 3.2922 3.2922 3.6544 3.6544 3.9332 3.9332 4.4995 4.4995 6.4816 6.4816 6.9952 6.9952 7.9905 7.9905 8.5553 8.5553 10.5520 10.5520 11.7297 11.7297 k = 0.5000-0.5635-0.8552 ( 4856 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1948 -14.1948 -14.1920 -14.1920 -14.1856 -14.1856 -4.9364 -4.9364 -4.9036 -4.9036 -3.5268 -3.5268 -3.4577 -3.4577 -3.0790 -3.0790 -2.6686 -2.6686 -2.4756 -2.4756 -2.4232 -2.4232 1.3392 1.3392 3.2593 3.2593 3.6125 3.6125 3.9529 3.9529 4.5315 4.5315 6.4607 6.4607 6.9640 6.9640 8.0184 8.0184 8.5576 8.5576 10.5348 10.5348 11.7287 11.7287 k = 0.5000-0.5502-0.8771 ( 4854 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1946 -14.1946 -14.1922 -14.1922 -14.1856 -14.1856 -4.9339 -4.9339 -4.9063 -4.9063 -3.4982 -3.4982 -3.4473 -3.4473 -3.1078 -3.1078 -2.6682 -2.6682 -2.4735 -2.4735 -2.4284 -2.4284 1.3367 1.3367 3.2310 3.2310 3.5775 3.5775 3.9773 3.9773 4.5652 4.5652 6.4215 6.4215 6.9088 6.9088 8.0663 8.0663 8.5827 8.5827 10.5168 10.5168 11.7199 11.7199 k = 0.5000-0.5368-0.8991 ( 4856 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1943 -14.1943 -14.1924 -14.1924 -14.1857 -14.1857 -4.9314 -4.9314 -4.9089 -4.9089 -3.4703 -3.4703 -3.4366 -3.4366 -3.1364 -3.1364 -2.6678 -2.6678 -2.4718 -2.4718 -2.4342 -2.4342 1.3323 1.3323 3.2083 3.2083 3.5499 3.5499 4.0056 4.0056 4.6003 4.6003 6.3670 6.3670 6.8354 6.8354 8.1285 8.1285 8.6274 8.6274 10.4982 10.4982 11.7052 11.7052 k = 0.5000-0.5234-0.9210 ( 4852 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1941 -14.1941 -14.1926 -14.1926 -14.1857 -14.1857 -4.9289 -4.9289 -4.9116 -4.9116 -3.4452 -3.4452 -3.4249 -3.4249 -3.1638 -3.1638 -2.6674 -2.6674 -2.4704 -2.4704 -2.4406 -2.4406 1.3261 1.3261 3.1916 3.1916 3.5300 3.5300 4.0368 4.0368 4.6366 4.6366 6.3009 6.3009 6.7491 6.7491 8.2004 8.2004 8.6879 8.6879 10.4789 10.4789 11.6857 11.6857 k = 0.5000-0.5100-0.9429 ( 4850 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1939 -14.1939 -14.1928 -14.1928 -14.1857 -14.1857 -4.9265 -4.9265 -4.9142 -4.9142 -3.4265 -3.4265 -3.4106 -3.4106 -3.1880 -3.1880 -2.6671 -2.6671 -2.4692 -2.4692 -2.4472 -2.4472 1.3184 1.3184 3.1814 3.1814 3.5178 3.5178 4.0705 4.0705 4.6739 4.6739 6.2263 6.2263 6.6542 6.6542 8.2782 8.2782 8.7605 8.7605 10.4593 10.4593 11.6625 11.6625 k = 0.5000-0.4966-0.9649 ( 4848 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1936 -14.1936 -14.1930 -14.1930 -14.1857 -14.1857 -4.9243 -4.9243 -4.9166 -4.9166 -3.4149 -3.4149 -3.3973 -3.3973 -3.2054 -3.2054 -2.6668 -2.6668 -2.4687 -2.4687 -2.4536 -2.4536 1.3094 1.3094 3.1778 3.1778 3.5133 3.5133 4.1063 4.1063 4.7120 4.7120 6.1462 6.1462 6.5540 6.5540 8.3595 8.3595 8.8420 8.8420 10.4395 10.4395 11.6362 11.6362 k = 0.5000-0.4833-0.9868 ( 4844 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1935 -14.1935 -14.1932 -14.1932 -14.1857 -14.1857 -4.9227 -4.9227 -4.9183 -4.9183 -3.4081 -3.4081 -3.3923 -3.3923 -3.2111 -3.2111 -2.6665 -2.6665 -2.4709 -2.4709 -2.4573 -2.4573 1.2995 1.2995 3.1808 3.1808 3.5165 3.5165 4.1438 4.1438 4.7507 4.7507 6.0629 6.0629 6.4509 6.4509 8.4420 8.4420 8.9296 8.9296 10.4200 10.4200 11.6075 11.6075 k = 0.5000-0.4699-1.0088 ( 4842 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1935 -14.1935 -14.1932 -14.1932 -14.1857 -14.1857 -4.9234 -4.9234 -4.9178 -4.9178 -3.4143 -3.4143 -3.3903 -3.3903 -3.2028 -3.2028 -2.6663 -2.6663 -2.4777 -2.4777 -2.4563 -2.4563 1.2892 1.2892 3.1901 3.1901 3.5271 3.5271 4.1827 4.1827 4.7896 4.7896 5.9784 5.9784 6.3467 6.3467 8.5243 8.5243 9.0215 9.0215 10.4010 10.4010 11.5768 11.5768 k = 0.5000-0.4565-1.0307 ( 4844 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1937 -14.1937 -14.1930 -14.1930 -14.1857 -14.1857 -4.9255 -4.9255 -4.9158 -4.9158 -3.4374 -3.4374 -3.3847 -3.3847 -3.1835 -3.1835 -2.6662 -2.6662 -2.4868 -2.4868 -2.4525 -2.4525 1.2790 1.2790 3.2055 3.2055 3.5450 3.5450 4.2228 4.2228 4.8282 4.8282 5.8945 5.8945 6.2429 6.2429 8.6050 8.6050 9.1160 9.1160 10.3830 10.3830 11.5446 11.5446 k = 0.5000-0.4431-1.0526 ( 4844 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1939 -14.1939 -14.1928 -14.1928 -14.1857 -14.1857 -4.9279 -4.9279 -4.9136 -4.9136 -3.4696 -3.4696 -3.3787 -3.3787 -3.1580 -3.1580 -2.6661 -2.6661 -2.4971 -2.4971 -2.4465 -2.4465 1.2694 1.2694 3.2267 3.2267 3.5700 3.5700 4.2636 4.2636 4.8662 4.8662 5.8127 5.8127 6.1410 6.1410 8.6828 8.6828 9.2119 9.2119 10.3666 10.3666 11.5112 11.5112 k = 0.8142-0.3522-0.8761 ( 4844 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1939 -14.1939 -14.1928 -14.1928 -14.1857 -14.1857 -4.9279 -4.9279 -4.9136 -4.9136 -3.4696 -3.4696 -3.3787 -3.3787 -3.1580 -3.1580 -2.6661 -2.6661 -2.4971 -2.4971 -2.4465 -2.4465 1.2694 1.2694 3.2267 3.2267 3.5700 3.5700 4.2636 4.2636 4.8662 4.8662 5.8127 5.8127 6.1410 6.1410 8.6828 8.6828 9.2119 9.2119 10.3666 10.3666 11.5112 11.5112 k = 0.8070-0.3409-0.8542 ( 4848 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1941 -14.1941 -14.1926 -14.1926 -14.1857 -14.1857 -4.9302 -4.9302 -4.9114 -4.9114 -3.5070 -3.5070 -3.3735 -3.3735 -3.1297 -3.1297 -2.6661 -2.6661 -2.5082 -2.5082 -2.4386 -2.4386 1.2608 1.2608 3.2532 3.2532 3.6017 3.6017 4.3048 4.3048 4.9026 4.9026 5.7345 5.7345 6.0420 6.0420 8.7565 8.7565 9.3080 9.3080 10.3524 10.3524 11.4771 11.4771 k = 0.7999-0.3296-0.8323 ( 4848 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1943 -14.1943 -14.1924 -14.1924 -14.1857 -14.1857 -4.9325 -4.9325 -4.9092 -4.9092 -3.5478 -3.5478 -3.3695 -3.3695 -3.1004 -3.1004 -2.6662 -2.6662 -2.5198 -2.5198 -2.4283 -2.4283 1.2539 1.2539 3.2845 3.2845 3.6396 3.6396 4.3461 4.3461 4.9366 4.9366 5.6613 5.6613 5.9471 5.9471 8.8251 8.8251 9.4036 9.4036 10.3411 10.3411 11.4424 11.4424 k = 0.7927-0.3183-0.8103 ( 4846 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1945 -14.1945 -14.1923 -14.1923 -14.1857 -14.1857 -4.9348 -4.9348 -4.9071 -4.9071 -3.5909 -3.5909 -3.3667 -3.3667 -3.0714 -3.0714 -2.6664 -2.6664 -2.5320 -2.5320 -2.4155 -2.4155 1.2489 1.2489 3.3204 3.3204 3.6835 3.6835 4.3871 4.3871 4.9667 4.9667 5.5950 5.5950 5.8575 5.8575 8.8876 8.8876 9.4978 9.4978 10.3335 10.3335 11.4075 11.4075 k = 0.7856-0.3070-0.7884 ( 4854 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1947 -14.1947 -14.1921 -14.1921 -14.1857 -14.1857 -4.9369 -4.9369 -4.9051 -4.9051 -3.6358 -3.6358 -3.3653 -3.3653 -3.0433 -3.0433 -2.6667 -2.6667 -2.5445 -2.5445 -2.3999 -2.3999 1.2463 1.2463 3.3603 3.3603 3.7328 3.7328 4.4273 4.4273 4.9911 4.9911 5.5372 5.5372 5.7748 5.7748 8.9429 8.9429 9.5897 9.5897 10.3302 10.3302 11.3724 11.3724 k = 0.7785-0.2957-0.7665 ( 4850 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1948 -14.1948 -14.1920 -14.1920 -14.1857 -14.1857 -4.9390 -4.9390 -4.9031 -4.9031 -3.6822 -3.6822 -3.3656 -3.3656 -3.0167 -3.0167 -2.6671 -2.6671 -2.5573 -2.5573 -2.3813 -2.3813 1.2463 1.2463 3.4037 3.4037 3.7868 3.7868 4.4662 4.4662 5.0075 5.0075 5.4899 5.4899 5.7010 5.7010 8.9900 8.9900 9.6785 9.6785 10.3319 10.3319 11.3372 11.3372 k = 0.7713-0.2844-0.7446 ( 4852 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1950 -14.1950 -14.1919 -14.1919 -14.1857 -14.1857 -4.9410 -4.9410 -4.9012 -4.9012 -3.7296 -3.7296 -3.3676 -3.3676 -2.9921 -2.9921 -2.6676 -2.6676 -2.5701 -2.5701 -2.3595 -2.3595 1.2492 1.2492 3.4500 3.4500 3.8448 3.8448 4.5032 4.5032 5.0139 5.0139 5.4537 5.4537 5.6392 5.6392 9.0284 9.0284 9.7628 9.7628 10.3392 10.3392 11.3017 11.3017 k = 0.7642-0.2731-0.7227 ( 4856 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1952 -14.1952 -14.1917 -14.1917 -14.1857 -14.1857 -4.9429 -4.9429 -4.8994 -4.8994 -3.7779 -3.7779 -3.3715 -3.3715 -2.9695 -2.9695 -2.6682 -2.6682 -2.5828 -2.5828 -2.3346 -2.3346 1.2551 1.2551 3.4987 3.4987 3.9061 3.9061 4.5379 4.5379 5.0094 5.0094 5.4274 5.4274 5.5933 5.5933 9.0576 9.0576 9.8415 9.8415 10.3524 10.3524 11.2655 11.2655 k = 0.7570-0.2618-0.7008 ( 4838 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1953 -14.1953 -14.1916 -14.1916 -14.1858 -14.1858 -4.9447 -4.9447 -4.8977 -4.8977 -3.8268 -3.8268 -3.3773 -3.3773 -2.9491 -2.9491 -2.6690 -2.6690 -2.5952 -2.5952 -2.3067 -2.3067 1.2640 1.2640 3.5489 3.5489 3.9697 3.9697 4.5699 4.5699 4.9956 4.9956 5.4072 5.4072 5.5674 5.5674 9.0775 9.0775 9.9128 9.9128 10.3715 10.3715 11.2279 11.2279 k = 0.7499-0.2505-0.6788 ( 4836 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1954 -14.1954 -14.1915 -14.1915 -14.1858 -14.1858 -4.9464 -4.9464 -4.8960 -4.8960 -3.8762 -3.8762 -3.3852 -3.3852 -2.9309 -2.9309 -2.6699 -2.6699 -2.6073 -2.6073 -2.2759 -2.2759 1.2761 1.2761 3.5998 3.5998 4.0342 4.0342 4.5993 4.5993 4.9757 4.9757 5.3911 5.3911 5.5622 5.5622 9.0882 9.0882 9.9752 9.9752 10.3960 10.3960 11.1876 11.1876 k = 0.7428-0.2392-0.6569 ( 4838 PWs) bands (ev): -17.1775 -17.1775 -17.1732 -17.1732 -14.1955 -14.1955 -14.1915 -14.1915 -14.1858 -14.1858 -4.9480 -4.9480 -4.8945 -4.8945 -3.9259 -3.9259 -3.3951 -3.3951 -2.9148 -2.9148 -2.6710 -2.6710 -2.6188 -2.6188 -2.2426 -2.2426 1.2912 1.2912 3.6504 3.6504 4.0982 4.0982 4.6267 4.6267 4.9538 4.9538 5.3812 5.3812 5.5733 5.5733 9.0903 9.0903 10.0269 10.0269 10.4248 10.4248 11.1430 11.1430 k = 0.7356-0.2279-0.6350 ( 4848 PWs) bands (ev): -17.1775 -17.1775 -17.1732 -17.1732 -14.1956 -14.1956 -14.1914 -14.1914 -14.1859 -14.1859 -4.9495 -4.9495 -4.8930 -4.8930 -3.9756 -3.9756 -3.4071 -3.4071 -2.9005 -2.9005 -2.6722 -2.6722 -2.6295 -2.6295 -2.2070 -2.2070 1.3091 1.3091 3.6993 3.6993 4.1598 4.1598 4.6531 4.6531 4.9344 4.9344 5.3804 5.3804 5.5953 5.5953 9.0846 9.0846 10.0663 10.0663 10.4561 10.4561 11.0922 11.0922 k = 0.7285-0.2166-0.6131 ( 4850 PWs) bands (ev): -17.1776 -17.1776 -17.1732 -17.1732 -14.1957 -14.1957 -14.1913 -14.1913 -14.1860 -14.1860 -4.9510 -4.9510 -4.8917 -4.8917 -4.0253 -4.0253 -3.4211 -3.4211 -2.8879 -2.8879 -2.6738 -2.6738 -2.6393 -2.6393 -2.1697 -2.1697 1.3298 1.3298 3.7454 3.7454 4.2167 4.2167 4.6796 4.6796 4.9221 4.9221 5.3903 5.3903 5.6237 5.6237 9.0719 9.0719 10.0926 10.0926 10.4873 10.4873 11.0339 11.0339 k = 0.7213-0.2053-0.5912 ( 4842 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1958 -14.1958 -14.1912 -14.1912 -14.1860 -14.1860 -4.9523 -4.9523 -4.8904 -4.8904 -4.0747 -4.0747 -3.4371 -3.4371 -2.8768 -2.8768 -2.6759 -2.6759 -2.6479 -2.6479 -2.1310 -2.1310 1.3529 1.3529 3.7873 3.7873 4.2667 4.2667 4.7073 4.7073 4.9222 4.9222 5.4111 5.4111 5.6561 5.6561 9.0529 9.0529 10.1049 10.1049 10.5149 10.5149 10.9690 10.9690 k = 0.7142-0.1940-0.5693 ( 4842 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1959 -14.1959 -14.1912 -14.1912 -14.1861 -14.1861 -4.9536 -4.9536 -4.8892 -4.8892 -4.1238 -4.1238 -3.4550 -3.4550 -2.8668 -2.8668 -2.6785 -2.6785 -2.6551 -2.6551 -2.0913 -2.0913 1.3781 1.3781 3.8242 3.8242 4.3077 4.3077 4.7368 4.7368 4.9392 4.9392 5.4418 5.4418 5.6906 5.6906 9.0286 9.0286 10.1032 10.1032 10.5349 10.5349 10.9006 10.9006 k = 0.7071-0.1827-0.5473 ( 4842 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1960 -14.1960 -14.1911 -14.1911 -14.1862 -14.1862 -4.9549 -4.9549 -4.8881 -4.8881 -4.1723 -4.1723 -3.4746 -3.4746 -2.8579 -2.8579 -2.6820 -2.6820 -2.6608 -2.6608 -2.0511 -2.0511 1.4051 1.4051 3.8555 3.8555 4.3383 4.3383 4.7704 4.7704 4.9746 4.9746 5.4815 5.4815 5.7262 5.7262 8.9995 8.9995 10.0876 10.0876 10.5407 10.5407 10.8354 10.8354 k = 0.6999-0.1715-0.5254 ( 4846 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1961 -14.1961 -14.1911 -14.1911 -14.1863 -14.1863 -4.9561 -4.9561 -4.8871 -4.8871 -4.2201 -4.2201 -3.4957 -3.4957 -2.8498 -2.8498 -2.6862 -2.6862 -2.6649 -2.6649 -2.0106 -2.0106 1.4335 1.4335 3.8814 3.8814 4.3590 4.3590 4.8114 4.8114 5.0260 5.0260 5.5294 5.5294 5.7622 5.7622 8.9664 8.9664 10.0585 10.0585 10.5232 10.5232 10.7839 10.7839 k = 0.6928-0.1602-0.5035 ( 4846 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1961 -14.1961 -14.1910 -14.1910 -14.1864 -14.1864 -4.9572 -4.9572 -4.8862 -4.8862 -4.2672 -4.2672 -3.5183 -3.5183 -2.8423 -2.8423 -2.6907 -2.6907 -2.6679 -2.6679 -1.9702 -1.9702 1.4628 1.4628 3.9028 3.9028 4.3715 4.3715 4.8625 4.8625 5.0887 5.0887 5.5849 5.5849 5.7981 5.7981 8.9296 8.9296 10.0171 10.0171 10.4753 10.4753 10.7544 10.7544 k = 0.6856-0.1489-0.4816 ( 4846 PWs) bands (ev): -17.1780 -17.1780 -17.1731 -17.1731 -14.1962 -14.1962 -14.1910 -14.1910 -14.1865 -14.1865 -4.9584 -4.9584 -4.8854 -4.8854 -4.3133 -4.3133 -3.5420 -3.5420 -2.8354 -2.8354 -2.6953 -2.6953 -2.6702 -2.6702 -1.9303 -1.9303 1.4926 1.4926 3.9209 3.9209 4.3787 4.3787 4.9242 4.9242 5.1583 5.1583 5.6480 5.6480 5.8335 5.8335 8.8894 8.8894 9.9645 9.9645 10.4022 10.4022 10.7431 10.7431 k = 0.6785-0.1376-0.4597 ( 4848 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1963 -14.1963 -14.1909 -14.1909 -14.1866 -14.1866 -4.9595 -4.9595 -4.8846 -4.8846 -4.3583 -4.3583 -3.5667 -3.5667 -2.8290 -2.8290 -2.6996 -2.6996 -2.6720 -2.6720 -1.8911 -1.8911 1.5224 1.5224 3.9374 3.9374 4.3838 4.3838 4.9954 4.9954 5.2312 5.2312 5.7186 5.7186 5.8685 5.8685 8.8461 8.8461 9.9023 9.9023 10.3144 10.3144 10.7408 10.7408 k = 0.6714-0.1263-0.4378 ( 4854 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1963 -14.1963 -14.1909 -14.1909 -14.1867 -14.1867 -4.9607 -4.9607 -4.8839 -4.8839 -4.4021 -4.4021 -3.5921 -3.5921 -2.8229 -2.8229 -2.7035 -2.7035 -2.6736 -2.6736 -1.8530 -1.8530 1.5518 1.5518 3.9537 3.9537 4.3892 4.3892 5.0744 5.0744 5.3047 5.3047 5.7967 5.7967 5.9030 5.9030 8.7998 8.7998 9.8320 9.8320 10.2189 10.2189 10.7414 10.7414 k = 0.6642-0.1150-0.4158 ( 4854 PWs) bands (ev): -17.1782 -17.1782 -17.1731 -17.1731 -14.1964 -14.1964 -14.1908 -14.1908 -14.1868 -14.1868 -4.9620 -4.9620 -4.8833 -4.8833 -4.4447 -4.4447 -3.6180 -3.6180 -2.8171 -2.8171 -2.7070 -2.7070 -2.6750 -2.6750 -1.8160 -1.8160 1.5802 1.5802 3.9713 3.9713 4.3970 4.3970 5.1592 5.1592 5.3771 5.3771 5.8806 5.8806 5.9387 5.9387 8.7504 8.7504 9.7549 9.7549 10.1198 10.1198 10.7419 10.7419 k = 0.6571-0.1037-0.3939 ( 4846 PWs) bands (ev): -17.1783 -17.1783 -17.1731 -17.1731 -14.1965 -14.1965 -14.1908 -14.1908 -14.1869 -14.1869 -4.9633 -4.9633 -4.8828 -4.8828 -4.4858 -4.4858 -3.6443 -3.6443 -2.8115 -2.8115 -2.7100 -2.7100 -2.6764 -2.6764 -1.7804 -1.7804 1.6073 1.6073 3.9914 3.9914 4.4086 4.4086 5.2477 5.2477 5.4479 5.4479 5.9533 5.9533 5.9922 5.9922 8.6978 8.6978 9.6721 9.6721 10.0194 10.0194 10.7407 10.7407 k = 0.6499-0.0924-0.3720 ( 4856 PWs) bands (ev): -17.1784 -17.1784 -17.1731 -17.1731 -14.1965 -14.1965 -14.1907 -14.1907 -14.1870 -14.1870 -4.9647 -4.9647 -4.8823 -4.8823 -4.5253 -4.5253 -3.6706 -3.6706 -2.8061 -2.8061 -2.7127 -2.7127 -2.6776 -2.6776 -1.7464 -1.7464 1.6327 1.6327 4.0150 4.0150 4.4248 4.4248 5.3372 5.3372 5.5174 5.5174 5.9921 5.9921 6.0857 6.0857 8.6420 8.6420 9.5847 9.5847 9.9197 9.9197 10.7369 10.7369 k = 0.6428-0.0811-0.3501 ( 4852 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1966 -14.1966 -14.1907 -14.1907 -14.1871 -14.1871 -4.9663 -4.9663 -4.8820 -4.8820 -4.5632 -4.5632 -3.6969 -3.6969 -2.8010 -2.8010 -2.7149 -2.7149 -2.6788 -2.6788 -1.7141 -1.7141 1.6561 1.6561 4.0429 4.0429 4.4463 4.4463 5.4247 5.4247 5.5876 5.5876 6.0242 6.0242 6.1911 6.1911 8.5826 8.5826 9.4934 9.4934 9.8224 9.8224 10.7299 10.7299 k = 0.6357-0.0698-0.3282 ( 4854 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1967 -14.1967 -14.1906 -14.1906 -14.1872 -14.1872 -4.9681 -4.9681 -4.8816 -4.8816 -4.5994 -4.5994 -3.7229 -3.7229 -2.7960 -2.7960 -2.7168 -2.7168 -2.6799 -2.6799 -1.6837 -1.6837 1.6772 1.6772 4.0755 4.0755 4.4735 4.4735 5.5060 5.5060 5.6611 5.6611 6.0556 6.0556 6.3020 6.3020 8.5194 8.5194 9.3989 9.3989 9.7292 9.7292 10.7194 10.7194 k = 0.6285-0.0585-0.3062 ( 4856 PWs) bands (ev): -17.1786 -17.1786 -17.1731 -17.1731 -14.1968 -14.1968 -14.1905 -14.1905 -14.1873 -14.1873 -4.9702 -4.9702 -4.8814 -4.8814 -4.6336 -4.6336 -3.7484 -3.7484 -2.7911 -2.7911 -2.7183 -2.7183 -2.6810 -2.6810 -1.6551 -1.6551 1.6958 1.6958 4.1131 4.1131 4.5068 4.5068 5.5778 5.5778 5.7395 5.7395 6.0878 6.0878 6.4163 6.4163 8.4524 8.4524 9.3018 9.3018 9.6415 9.6415 10.7051 10.7051 k = 0.6214-0.0472-0.2843 ( 4848 PWs) bands (ev): -17.1787 -17.1787 -17.1731 -17.1731 -14.1969 -14.1969 -14.1905 -14.1905 -14.1874 -14.1874 -4.9726 -4.9726 -4.8812 -4.8812 -4.6658 -4.6658 -3.7734 -3.7734 -2.7865 -2.7865 -2.7196 -2.7196 -2.6820 -2.6820 -1.6285 -1.6285 1.7119 1.7119 4.1559 4.1559 4.5462 4.5462 5.6396 5.6396 5.8212 5.8212 6.1228 6.1228 6.5321 6.5321 8.3814 8.3814 9.2031 9.2031 9.5608 9.5608 10.6871 10.6871 k = 0.6142-0.0359-0.2624 ( 4846 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1970 -14.1970 -14.1904 -14.1904 -14.1875 -14.1875 -4.9754 -4.9754 -4.8811 -4.8811 -4.6958 -4.6958 -3.7976 -3.7976 -2.7821 -2.7821 -2.7205 -2.7205 -2.6830 -2.6830 -1.6039 -1.6039 1.7255 1.7255 4.2038 4.2038 4.5917 4.5917 5.6931 5.6931 5.9006 5.9006 6.1637 6.1637 6.6478 6.6478 8.3068 8.3068 9.1041 9.1041 9.4879 9.4879 10.6654 10.6654 k = 0.6071-0.0246-0.2405 ( 4850 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1971 -14.1971 -14.1903 -14.1903 -14.1876 -14.1876 -4.9787 -4.9787 -4.8810 -4.8810 -4.7236 -4.7236 -3.8209 -3.8209 -2.7779 -2.7779 -2.7211 -2.7211 -2.6840 -2.6840 -1.5813 -1.5813 1.7368 1.7368 4.2566 4.2566 4.6433 4.6433 5.7405 5.7405 5.9709 5.9709 6.2146 6.2146 6.7612 6.7612 8.2290 8.2290 9.0068 9.0068 9.4236 9.4236 10.6400 10.6400 k = 0.6000-0.0133-0.2186 ( 4854 PWs) bands (ev): -17.1789 -17.1789 -17.1731 -17.1731 -14.1972 -14.1972 -14.1902 -14.1902 -14.1877 -14.1877 -4.9826 -4.9826 -4.8810 -4.8810 -4.7490 -4.7490 -3.8432 -3.8432 -2.7739 -2.7739 -2.7215 -2.7215 -2.6848 -2.6848 -1.5606 -1.5606 1.7457 1.7457 4.3139 4.3139 4.7008 4.7008 5.7836 5.7836 6.0271 6.0271 6.2778 6.2778 6.8698 6.8698 8.1488 8.1488 8.9139 8.9139 9.3681 9.3681 10.6110 10.6110 k = 0.5928-0.0020-0.1967 ( 4858 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1973 -14.1973 -14.1901 -14.1901 -14.1877 -14.1877 -4.9871 -4.9871 -4.8810 -4.8810 -4.7718 -4.7718 -3.8644 -3.8644 -2.7703 -2.7703 -2.7216 -2.7216 -2.6857 -2.6857 -1.5418 -1.5418 1.7526 1.7526 4.3751 4.3751 4.7638 4.7638 5.8232 5.8232 6.0696 6.0696 6.3507 6.3507 6.9702 6.9702 8.0676 8.0676 8.8287 8.8287 9.3216 9.3216 10.5784 10.5784 k = 0.5857 0.0093-0.1747 ( 4860 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1975 -14.1975 -14.1901 -14.1901 -14.1878 -14.1878 -4.9923 -4.9923 -4.8811 -4.8811 -4.7920 -4.7920 -3.8843 -3.8843 -2.7669 -2.7669 -2.7215 -2.7215 -2.6865 -2.6865 -1.5250 -1.5250 1.7576 1.7576 4.4396 4.4396 4.8319 4.8319 5.8602 5.8602 6.1023 6.1023 6.4272 6.4272 7.0583 7.0583 7.9870 7.9870 8.7557 8.7557 9.2840 9.2840 10.5420 10.5420 k = 0.5785 0.0206-0.1528 ( 4858 PWs) bands (ev): -17.1791 -17.1791 -17.1730 -17.1730 -14.1976 -14.1976 -14.1900 -14.1900 -14.1879 -14.1879 -4.9982 -4.9982 -4.8812 -4.8812 -4.8096 -4.8096 -3.9030 -3.9030 -2.7640 -2.7640 -2.7211 -2.7211 -2.6872 -2.6872 -1.5099 -1.5099 1.7610 1.7610 4.5067 4.5067 4.9046 4.9046 5.8952 5.8952 6.1289 6.1289 6.5010 6.5010 7.1291 7.1291 7.9092 7.9092 8.7001 8.7001 9.2551 9.2551 10.5013 10.5013 k = 0.5714 0.0318-0.1309 ( 4858 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1977 -14.1977 -14.1899 -14.1899 -14.1879 -14.1879 -5.0047 -5.0047 -4.8814 -4.8814 -4.8246 -4.8246 -3.9203 -3.9203 -2.7613 -2.7613 -2.7205 -2.7205 -2.6879 -2.6879 -1.4966 -1.4966 1.7632 1.7632 4.5754 4.5754 4.9813 4.9813 5.9285 5.9285 6.1523 6.1523 6.5664 6.5664 7.1775 7.1775 7.8370 7.8370 8.6674 8.6674 9.2349 9.2349 10.4557 10.4557 k = 0.5643 0.0431-0.1090 ( 4868 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1978 -14.1978 -14.1898 -14.1898 -14.1880 -14.1880 -5.0116 -5.0116 -4.8817 -4.8817 -4.8370 -4.8370 -3.9361 -3.9361 -2.7591 -2.7591 -2.7197 -2.7197 -2.6885 -2.6885 -1.4849 -1.4849 1.7642 1.7642 4.6448 4.6448 5.0608 5.0608 5.9606 5.9606 6.1742 6.1742 6.6184 6.6184 7.1994 7.1994 7.7738 7.7738 8.6619 8.6619 9.2231 9.2231 10.4045 10.4045 k = 0.5571 0.0544-0.0871 ( 4872 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1979 -14.1979 -14.1897 -14.1897 -14.1880 -14.1880 -5.0188 -5.0188 -4.8821 -4.8821 -4.8472 -4.8472 -3.9505 -3.9505 -2.7572 -2.7572 -2.7187 -2.7187 -2.6890 -2.6890 -1.4747 -1.4747 1.7645 1.7645 4.7137 4.7137 5.1422 5.1422 5.9918 5.9918 6.1963 6.1963 6.6528 6.6528 7.1932 7.1932 7.7231 7.7231 8.6850 8.6850 9.2194 9.2194 10.3467 10.3467 k = 0.5500 0.0657-0.0652 ( 4866 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1897 -14.1897 -14.1881 -14.1881 -5.0259 -5.0259 -4.8826 -4.8826 -4.8552 -4.8552 -3.9632 -3.9632 -2.7557 -2.7557 -2.7177 -2.7177 -2.6895 -2.6895 -1.4660 -1.4660 1.7641 1.7641 4.7807 4.7807 5.2240 5.2240 6.0224 6.0224 6.2199 6.2199 6.6665 6.6665 7.1609 7.1609 7.6877 7.6877 8.7344 8.7344 9.2233 9.2233 10.2815 10.2815 k = 0.5428 0.0770-0.0432 ( 4868 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1896 -14.1896 -14.1881 -14.1881 -5.0328 -5.0328 -4.8832 -4.8832 -4.8614 -4.8614 -3.9744 -3.9744 -2.7544 -2.7544 -2.7167 -2.7167 -2.6899 -2.6899 -1.4586 -1.4586 1.7634 1.7634 4.8442 4.8442 5.3044 5.3044 6.0525 6.0525 6.2466 6.2466 6.6590 6.6590 7.1070 7.1070 7.6680 7.6680 8.8050 8.8050 9.2341 9.2341 10.2082 10.2082 k = 0.5357 0.0883-0.0213 ( 4860 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1882 -14.1882 -5.0390 -5.0390 -4.8840 -4.8840 -4.8660 -4.8660 -3.9839 -3.9839 -2.7534 -2.7534 -2.7156 -2.7156 -2.6903 -2.6903 -1.4526 -1.4526 1.7625 1.7625 4.9026 4.9026 5.3809 5.3809 6.0822 6.0822 6.2780 6.2780 6.6330 6.6330 7.0377 7.0377 7.6620 7.6620 8.8905 8.8905 9.2509 9.2509 10.1270 10.1270 k = 0.5286 0.0996 0.0006 ( 4864 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.0444 -5.0444 -4.8849 -4.8849 -4.8692 -4.8692 -3.9917 -3.9917 -2.7527 -2.7527 -2.7147 -2.7147 -2.6906 -2.6906 -1.4477 -1.4477 1.7615 1.7615 4.9540 4.9540 5.4509 5.4509 6.1117 6.1117 6.3154 6.3154 6.5936 6.5936 6.9588 6.9588 7.6652 7.6652 8.9838 8.9838 9.2726 9.2726 10.0391 10.0391 k = 0.5214 0.1109 0.0225 ( 4860 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.0488 -5.0488 -4.8858 -4.8858 -4.8713 -4.8713 -3.9978 -3.9978 -2.7521 -2.7521 -2.7140 -2.7140 -2.6908 -2.6908 -1.4440 -1.4440 1.7606 1.7606 4.9965 4.9965 5.5110 5.5110 6.1407 6.1407 6.3593 6.3593 6.5472 6.5472 6.8765 6.8765 7.6729 7.6729 9.0766 9.0766 9.2990 9.2990 9.9474 9.9474 k = 0.5143 0.1222 0.0444 ( 4862 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1895 -14.1895 -14.1882 -14.1882 -5.0521 -5.0521 -4.8865 -4.8865 -4.8726 -4.8726 -4.0022 -4.0022 -2.7518 -2.7518 -2.7134 -2.7134 -2.6910 -2.6910 -1.4414 -1.4414 1.7599 1.7599 5.0284 5.0284 5.5575 5.5575 6.1682 6.1682 6.4078 6.4078 6.5016 6.5016 6.7971 6.7971 7.6812 7.6812 9.1567 9.1567 9.3316 9.3316 9.8581 9.8581 k = 0.5071 0.1335 0.0664 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0541 -5.0541 -4.8870 -4.8870 -4.8733 -4.8733 -4.0048 -4.0048 -2.7515 -2.7515 -2.7130 -2.7130 -2.6911 -2.6911 -1.4399 -1.4399 1.7595 1.7595 5.0481 5.0481 5.5871 5.5871 6.1902 6.1902 6.4523 6.4523 6.4675 6.4675 6.7313 6.7313 7.6873 7.6873 9.2082 9.2082 9.3693 9.3693 9.7844 9.7844 k = 0.5000 0.1448 0.0883 ( 4874 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0547 -5.0547 -4.8872 -4.8872 -4.8735 -4.8735 -4.0057 -4.0057 -2.7515 -2.7515 -2.7129 -2.7129 -2.6911 -2.6911 -1.4394 -1.4394 1.7593 1.7593 5.0548 5.0548 5.5973 5.5973 6.1992 6.1992 6.4507 6.4507 6.4773 6.4773 6.7024 6.7024 7.6894 7.6894 9.2248 9.2248 9.3895 9.3895 9.7530 9.7530 k = 0.5000 0.1448 0.0883 ( 4874 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0547 -5.0547 -4.8872 -4.8872 -4.8735 -4.8735 -4.0057 -4.0057 -2.7515 -2.7515 -2.7129 -2.7129 -2.6911 -2.6911 -1.4394 -1.4394 1.7593 1.7593 5.0548 5.0548 5.5973 5.5973 6.1992 6.1992 6.4507 6.4507 6.4773 6.4773 6.7024 6.7024 7.6894 7.6894 9.2248 9.2248 9.3895 9.3895 9.7530 9.7530 k = 0.4762 0.1379 0.0841 ( 4862 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0558 -5.0558 -4.8872 -4.8872 -4.8735 -4.8735 -4.0032 -4.0032 -2.7515 -2.7515 -2.7129 -2.7129 -2.6911 -2.6911 -1.4427 -1.4427 1.7627 1.7627 5.0524 5.0524 5.5996 5.5996 6.1987 6.1987 6.4440 6.4440 6.4784 6.4784 6.7089 6.7089 7.6874 7.6874 9.2218 9.2218 9.3794 9.3794 9.7608 9.7608 k = 0.4524 0.1310 0.0799 ( 4862 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0589 -5.0589 -4.8871 -4.8871 -4.8734 -4.8734 -3.9959 -3.9959 -2.7515 -2.7515 -2.7129 -2.7129 -2.6912 -2.6912 -1.4524 -1.4524 1.7726 1.7726 5.0455 5.0455 5.6066 5.6066 6.1970 6.1970 6.4259 6.4259 6.4815 6.4815 6.7265 6.7265 7.6812 7.6812 9.2130 9.2130 9.3512 9.3512 9.7823 9.7823 k = 0.4286 0.1241 0.0757 ( 4859 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0639 -5.0639 -4.8871 -4.8871 -4.8733 -4.8733 -3.9840 -3.9840 -2.7515 -2.7515 -2.7129 -2.7129 -2.6912 -2.6912 -1.4683 -1.4683 1.7888 1.7888 5.0342 5.0342 5.6177 5.6177 6.1944 6.1944 6.4000 6.4000 6.4866 6.4866 6.7515 6.7515 7.6713 7.6713 9.1986 9.1986 9.3095 9.3095 9.8134 9.8134 k = 0.4048 0.1172 0.0715 ( 4859 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0707 -5.0707 -4.8871 -4.8871 -4.8731 -4.8731 -3.9676 -3.9676 -2.7515 -2.7515 -2.7129 -2.7129 -2.6913 -2.6913 -1.4901 -1.4901 1.8109 1.8109 5.0192 5.0192 5.6326 5.6326 6.1909 6.1909 6.3697 6.3697 6.4935 6.4935 6.7804 6.7804 7.6581 7.6581 9.1794 9.1794 9.2587 9.2587 9.8507 9.8507 k = 0.3810 0.1103 0.0673 ( 4856 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0789 -5.0789 -4.8871 -4.8871 -4.8729 -4.8729 -3.9472 -3.9472 -2.7516 -2.7516 -2.7129 -2.7129 -2.6914 -2.6914 -1.5173 -1.5173 1.8384 1.8384 5.0009 5.0009 5.6507 5.6507 6.1868 6.1868 6.3371 6.3371 6.5019 6.5019 6.8111 6.8111 7.6424 7.6424 9.1558 9.1558 9.2017 9.2017 9.8922 9.8922 k = 0.3571 0.1034 0.0631 ( 4862 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0882 -5.0882 -4.8871 -4.8871 -4.8727 -4.8727 -3.9231 -3.9231 -2.7517 -2.7517 -2.7129 -2.7129 -2.6915 -2.6915 -1.5493 -1.5493 1.8707 1.8707 4.9799 4.9799 5.6713 5.6713 6.1821 6.1821 6.3036 6.3036 6.5116 6.5116 6.8418 6.8418 7.6249 7.6249 9.1289 9.1289 9.1406 9.1406 9.9367 9.9367 k = 0.3333 0.0965 0.0588 ( 4862 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0984 -5.0984 -4.8871 -4.8871 -4.8725 -4.8725 -3.8959 -3.8958 -2.7517 -2.7517 -2.7129 -2.7129 -2.6916 -2.6916 -1.5853 -1.5853 1.9070 1.9070 4.9568 4.9568 5.6940 5.6940 6.1772 6.1772 6.2702 6.2702 6.5223 6.5223 6.8714 6.8714 7.6067 7.6067 9.0771 9.0771 9.0993 9.0993 9.9832 9.9832 k = 0.3095 0.0896 0.0546 ( 4868 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1092 -5.1092 -4.8871 -4.8871 -4.8723 -4.8723 -3.8659 -3.8659 -2.7518 -2.7518 -2.7129 -2.7129 -2.6918 -2.6918 -1.6248 -1.6248 1.9464 1.9464 4.9320 4.9320 5.7182 5.7182 6.1721 6.1721 6.2375 6.2375 6.5337 6.5337 6.8988 6.8988 7.5889 7.5889 9.0121 9.0121 9.0680 9.0680 10.0313 10.0313 k = 0.2857 0.0827 0.0504 ( 4856 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1202 -5.1202 -4.8871 -4.8871 -4.8721 -4.8721 -3.8338 -3.8338 -2.7519 -2.7519 -2.7129 -2.7129 -2.6920 -2.6920 -1.6668 -1.6668 1.9883 1.9883 4.9060 4.9060 5.7433 5.7433 6.1670 6.1670 6.2060 6.2060 6.5456 6.5456 6.9232 6.9232 7.5728 7.5728 8.9468 8.9468 9.0356 9.0356 10.0802 10.0802 k = 0.2619 0.0758 0.0462 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1312 -5.1312 -4.8871 -4.8871 -4.8720 -4.8720 -3.8001 -3.8001 -2.7520 -2.7520 -2.7129 -2.7129 -2.6922 -2.6922 -1.7106 -1.7106 2.0315 2.0315 4.8792 4.8792 5.7689 5.7689 6.1620 6.1620 6.1763 6.1763 6.5578 6.5578 6.9434 6.9434 7.5596 7.5596 8.8818 8.8818 9.0030 9.0030 10.1294 10.1294 k = 0.2381 0.0689 0.0420 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1419 -5.1419 -4.8871 -4.8871 -4.8719 -4.8719 -3.7655 -3.7655 -2.7522 -2.7522 -2.7129 -2.7129 -2.6925 -2.6925 -1.7552 -1.7552 2.0754 2.0754 4.8523 4.8523 5.7945 5.7945 6.1485 6.1485 6.1572 6.1572 6.5699 6.5699 6.9589 6.9589 7.5505 7.5505 8.8178 8.8178 8.9709 8.9709 10.1782 10.1782 k = 0.2143 0.0621 0.0378 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1522 -5.1522 -4.8871 -4.8871 -4.8717 -4.8717 -3.7305 -3.7305 -2.7524 -2.7524 -2.7129 -2.7129 -2.6928 -2.6928 -1.8000 -1.8000 2.1189 2.1189 4.8255 4.8255 5.8195 5.8195 6.1233 6.1233 6.1527 6.1527 6.5818 6.5818 6.9690 6.9690 7.5462 7.5462 8.7557 8.7557 8.9398 8.9398 10.2257 10.2257 k = 0.1905 0.0552 0.0336 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1619 -5.1619 -4.8871 -4.8871 -4.8716 -4.8716 -3.6958 -3.6958 -2.7525 -2.7525 -2.7129 -2.7129 -2.6932 -2.6932 -1.8438 -1.8438 2.1611 2.1611 4.7994 4.7994 5.8433 5.8433 6.1008 6.1008 6.1485 6.1485 6.5931 6.5931 6.9737 6.9737 7.5473 7.5473 8.6960 8.6960 8.9105 8.9105 10.2713 10.2713 k = 0.1667 0.0483 0.0294 ( 4882 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1708 -5.1708 -4.8871 -4.8871 -4.8715 -4.8715 -3.6623 -3.6623 -2.7528 -2.7528 -2.7129 -2.7129 -2.6936 -2.6936 -1.8859 -1.8859 2.2012 2.2012 4.7746 4.7746 5.8653 5.8653 6.0815 6.0815 6.1448 6.1448 6.6038 6.6038 6.9735 6.9735 7.5534 7.5534 8.6395 8.6395 8.8833 8.8833 10.3142 10.3142 k = 0.1429 0.0414 0.0252 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1787 -5.1787 -4.8871 -4.8871 -4.8715 -4.8715 -3.6306 -3.6306 -2.7530 -2.7530 -2.7129 -2.7129 -2.6940 -2.6940 -1.9251 -1.9251 2.2381 2.2381 4.7516 4.7516 5.8847 5.8847 6.0659 6.0659 6.1414 6.1414 6.6135 6.6135 6.9693 6.9693 7.5636 7.5636 8.5870 8.5870 8.8588 8.8588 10.3535 10.3535 k = 0.1190 0.0345 0.0210 ( 4870 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1856 -5.1856 -4.8871 -4.8871 -4.8714 -4.8714 -3.6017 -3.6017 -2.7532 -2.7532 -2.7129 -2.7129 -2.6944 -2.6944 -1.9606 -1.9606 2.2711 2.2711 4.7308 4.7308 5.9007 5.9007 6.0542 6.0542 6.1385 6.1385 6.6222 6.6222 6.9625 6.9625 7.5766 7.5766 8.5396 8.5396 8.8373 8.8373 10.3884 10.3884 k = 0.0952 0.0276 0.0168 ( 4861 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1913 -5.1913 -4.8871 -4.8871 -4.8713 -4.8713 -3.5764 -3.5764 -2.7535 -2.7535 -2.7129 -2.7129 -2.6948 -2.6948 -1.9914 -1.9914 2.2994 2.2994 4.7129 4.7129 5.9128 5.9128 6.0467 6.0467 6.1362 6.1362 6.6295 6.6295 6.9545 6.9545 7.5907 7.5907 8.4982 8.4982 8.8193 8.8193 10.4182 10.4182 k = 0.0714 0.0207 0.0126 ( 4849 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1959 -5.1959 -4.8871 -4.8871 -4.8713 -4.8713 -3.5556 -3.5556 -2.7537 -2.7537 -2.7130 -2.7130 -2.6952 -2.6952 -2.0165 -2.0165 2.3222 2.3222 4.6984 4.6984 5.9208 5.9208 6.0428 6.0428 6.1343 6.1343 6.6353 6.6353 6.9467 6.9467 7.6043 7.6043 8.4641 8.4641 8.8049 8.8049 10.4421 10.4421 k = 0.0476 0.0138 0.0084 ( 4819 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.1991 -5.1991 -4.8871 -4.8871 -4.8713 -4.8713 -3.5401 -3.5401 -2.7539 -2.7539 -2.7129 -2.7129 -2.6955 -2.6955 -2.0350 -2.0350 2.3390 2.3390 4.6877 4.6877 5.9254 5.9254 6.0415 6.0415 6.1330 6.1330 6.6396 6.6396 6.9402 6.9402 7.6156 7.6156 8.4385 8.4385 8.7945 8.7945 10.4597 10.4597 k = 0.0238 0.0069 0.0042 ( 4825 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2011 -5.2011 -4.8871 -4.8871 -4.8713 -4.8713 -3.5305 -3.5305 -2.7540 -2.7540 -2.7130 -2.7130 -2.6956 -2.6956 -2.0465 -2.0465 2.3492 2.3492 4.6811 4.6811 5.9275 5.9275 6.0416 6.0416 6.1321 6.1321 6.6422 6.6422 6.9359 6.9359 7.6230 7.6230 8.4226 8.4226 8.7882 8.7882 10.4704 10.4704 k = 0.0000 0.0000 0.0000 ( 4825 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2018 -5.2018 -4.8871 -4.8871 -4.8713 -4.8713 -3.5273 -3.5273 -2.7540 -2.7540 -2.7130 -2.7130 -2.6957 -2.6957 -2.0503 -2.0503 2.3526 2.3526 4.6789 4.6789 5.9282 5.9282 6.0417 6.0417 6.1319 6.1319 6.6431 6.6431 6.9344 6.9344 7.6256 7.6256 8.4172 8.4172 8.7861 8.7861 10.4740 10.4740 k = 0.0000 0.0000 0.0000 ( 4825 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2018 -5.2018 -4.8871 -4.8871 -4.8713 -4.8713 -3.5273 -3.5273 -2.7540 -2.7540 -2.7130 -2.7130 -2.6957 -2.6957 -2.0503 -2.0503 2.3526 2.3526 4.6789 4.6789 5.9282 5.9282 6.0417 6.0417 6.1319 6.1319 6.6431 6.6431 6.9344 6.9344 7.6256 7.6256 8.4172 8.4172 8.7861 8.7861 10.4740 10.4740 k = 0.0071-0.0113-0.0219 ( 4831 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.2007 -5.2007 -4.8872 -4.8872 -4.8713 -4.8713 -3.5270 -3.5270 -2.7537 -2.7537 -2.7127 -2.7127 -2.6957 -2.6957 -2.0503 -2.0503 2.3494 2.3494 4.6796 4.6796 5.9278 5.9278 6.0302 6.0302 6.1372 6.1372 6.6158 6.6158 6.9487 6.9487 7.6233 7.6233 8.4293 8.4293 8.7997 8.7997 10.4709 10.4709 k = 0.0143-0.0226-0.0439 ( 4839 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1895 -14.1895 -14.1882 -14.1882 -5.1972 -5.1972 -4.8873 -4.8873 -4.8715 -4.8715 -3.5260 -3.5260 -2.7529 -2.7529 -2.7119 -2.7119 -2.6955 -2.6955 -2.0504 -2.0504 2.3398 2.3398 4.6816 4.6816 5.9255 5.9255 6.0008 6.0008 6.1491 6.1491 6.5496 6.5496 6.9756 6.9756 7.6199 7.6199 8.4631 8.4631 8.8398 8.8398 10.4618 10.4618 k = 0.0214-0.0339-0.0658 ( 4843 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.1915 -5.1915 -4.8875 -4.8875 -4.8718 -4.8718 -3.5245 -3.5245 -2.7515 -2.7515 -2.7106 -2.7106 -2.6952 -2.6952 -2.0504 -2.0504 2.3241 2.3241 4.6846 4.6846 5.9141 5.9141 5.9647 5.9647 6.1626 6.1626 6.4658 6.4658 6.9935 6.9935 7.6226 7.6226 8.5141 8.5141 8.9038 8.9038 10.4474 10.4474 k = 0.0286-0.0452-0.0877 ( 4839 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.1835 -5.1835 -4.8879 -4.8879 -4.8722 -4.8722 -3.5224 -3.5224 -2.7497 -2.7497 -2.7086 -2.7086 -2.6948 -2.6948 -2.0506 -2.0506 2.3026 2.3026 4.6880 4.6880 5.8716 5.8716 5.9445 5.9445 6.1757 6.1757 6.3769 6.3769 6.9945 6.9945 7.6364 7.6364 8.5779 8.5779 8.9872 8.9872 10.4288 10.4288 k = 0.0357-0.0565-0.1097 ( 4845 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1882 -14.1882 -5.1732 -5.1732 -4.8884 -4.8884 -4.8727 -4.8727 -3.5197 -3.5197 -2.7477 -2.7477 -2.7058 -2.7058 -2.6942 -2.6942 -2.0508 -2.0508 2.2757 2.2757 4.6910 4.6910 5.8021 5.8021 5.9354 5.9354 6.1832 6.1832 6.2939 6.2939 6.9810 6.9810 7.6603 7.6603 8.6516 8.6516 9.0842 9.0842 10.4079 10.4079 k = 0.0429-0.0678-0.1316 ( 4841 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1881 -14.1881 -5.1606 -5.1606 -4.8890 -4.8890 -4.8732 -4.8732 -3.5165 -3.5165 -2.7456 -2.7456 -2.7024 -2.7024 -2.6933 -2.6933 -2.0513 -2.0513 2.2441 2.2441 4.6928 4.6928 5.7185 5.7185 5.9218 5.9218 6.1573 6.1573 6.2508 6.2508 6.9594 6.9594 7.6901 7.6901 8.7323 8.7323 9.1890 9.1890 10.3872 10.3872 k = 0.0500-0.0791-0.1535 ( 4845 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1897 -14.1897 -14.1881 -14.1881 -5.1459 -5.1459 -4.8898 -4.8898 -4.8736 -4.8736 -3.5129 -3.5129 -2.7436 -2.7436 -2.6987 -2.6987 -2.6914 -2.6914 -2.0519 -2.0519 2.2085 2.2085 4.6919 4.6919 5.6261 5.6261 5.8918 5.8918 6.0972 6.0972 6.2582 6.2582 6.9361 6.9361 7.7215 7.7215 8.8167 8.8167 9.2954 9.2954 10.3705 10.3705 k = 0.0572-0.0904-0.1754 ( 4853 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1979 -14.1979 -14.1897 -14.1897 -14.1880 -14.1880 -5.1289 -5.1289 -4.8908 -4.8908 -4.8740 -4.8740 -3.5088 -3.5088 -2.7418 -2.7418 -2.6958 -2.6958 -2.6874 -2.6874 -2.0529 -2.0529 2.1693 2.1693 4.6870 4.6870 5.5286 5.5286 5.8319 5.8319 6.0527 6.0527 6.2797 6.2797 6.9153 6.9153 7.7519 7.7519 8.8999 8.8999 9.3978 9.3978 10.3628 10.3628 k = 0.0643-0.1017-0.1974 ( 4859 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1978 -14.1978 -14.1898 -14.1898 -14.1880 -14.1880 -5.1099 -5.1099 -4.8920 -4.8920 -4.8742 -4.8742 -3.5043 -3.5043 -2.7403 -2.7403 -2.6942 -2.6942 -2.6808 -2.6808 -2.0542 -2.0542 2.1274 2.1274 4.6761 4.6761 5.4295 5.4295 5.7438 5.7438 6.0314 6.0314 6.3063 6.3063 6.8991 6.8991 7.7798 7.7798 8.9760 8.9760 9.4908 9.4908 10.3695 10.3695 k = 0.0714-0.1130-0.2193 ( 4855 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1977 -14.1977 -14.1899 -14.1899 -14.1879 -14.1879 -5.0887 -5.0887 -4.8933 -4.8933 -4.8743 -4.8743 -3.4995 -3.4995 -2.7391 -2.7391 -2.6931 -2.6931 -2.6725 -2.6725 -2.0561 -2.0561 2.0835 2.0835 4.6570 4.6570 5.3319 5.3319 5.6402 5.6402 6.0236 6.0236 6.3362 6.3362 6.8884 6.8884 7.8047 7.8047 9.0377 9.0377 9.5706 9.5706 10.3955 10.3955 k = 0.0786-0.1243-0.2412 ( 4861 PWs) bands (ev): -17.1791 -17.1791 -17.1730 -17.1730 -14.1976 -14.1976 -14.1900 -14.1900 -14.1879 -14.1879 -5.0656 -5.0656 -4.8948 -4.8948 -4.8741 -4.8741 -3.4944 -3.4944 -2.7382 -2.7382 -2.6921 -2.6921 -2.6627 -2.6627 -2.0585 -2.0585 2.0382 2.0382 4.6275 4.6275 5.2378 5.2378 5.5304 5.5304 6.0227 6.0227 6.3683 6.3683 6.8835 6.8835 7.8264 7.8264 9.0786 9.0786 9.6351 9.6351 10.4426 10.4426 k = 0.0857-0.1356-0.2632 ( 4859 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1975 -14.1975 -14.1901 -14.1901 -14.1878 -14.1878 -5.0406 -5.0406 -4.8964 -4.8964 -4.8736 -4.8736 -3.4891 -3.4891 -2.7377 -2.7377 -2.6911 -2.6911 -2.6518 -2.6518 -2.0617 -2.0617 1.9921 1.9921 4.5856 4.5856 5.1482 5.1482 5.4202 5.4202 6.0262 6.0262 6.4016 6.4016 6.8844 6.8844 7.8448 7.8448 9.0946 9.0946 9.6828 9.6828 10.5091 10.5091 k = 0.0929-0.1469-0.2851 ( 4857 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1973 -14.1973 -14.1901 -14.1901 -14.1877 -14.1877 -5.0142 -5.0142 -4.8981 -4.8981 -4.8725 -4.8725 -3.4836 -3.4836 -2.7375 -2.7375 -2.6901 -2.6901 -2.6399 -2.6399 -2.0657 -2.0657 1.9460 1.9460 4.5306 4.5306 5.0615 5.0615 5.3146 5.3146 6.0331 6.0331 6.4353 6.4353 6.8911 6.8911 7.8599 7.8599 9.0863 9.0863 9.7111 9.7111 10.5912 10.5912 k = 0.1000-0.1582-0.3070 ( 4855 PWs) bands (ev): -17.1789 -17.1789 -17.1730 -17.1730 -14.1972 -14.1972 -14.1902 -14.1902 -14.1877 -14.1877 -4.9868 -4.9868 -4.8996 -4.8996 -4.8703 -4.8703 -3.4780 -3.4780 -2.7375 -2.7375 -2.6891 -2.6891 -2.6270 -2.6270 -2.0707 -2.0707 1.9003 1.9003 4.4633 4.4633 4.9735 4.9735 5.2189 5.2189 6.0433 6.0433 6.4684 6.4684 6.9037 6.9037 7.8714 7.8714 9.0578 9.0578 9.7163 9.7163 10.6853 10.6853 k = 0.1072-0.1695-0.3290 ( 4853 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1971 -14.1971 -14.1903 -14.1903 -14.1876 -14.1876 -4.9600 -4.9600 -4.9007 -4.9007 -4.8661 -4.8661 -3.4724 -3.4724 -2.7379 -2.7379 -2.6881 -2.6881 -2.6133 -2.6133 -2.0767 -2.0767 1.8556 1.8556 4.3860 4.3860 4.8791 4.8791 5.1370 5.1370 6.0566 6.0566 6.4998 6.4998 6.9221 6.9221 7.8788 7.8788 9.0144 9.0144 9.6967 9.6967 10.7894 10.7894 k = 0.1143-0.1808-0.3509 ( 4849 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1970 -14.1970 -14.1904 -14.1904 -14.1875 -14.1875 -4.9368 -4.9368 -4.9007 -4.9007 -4.8572 -4.8572 -3.4667 -3.4667 -2.7387 -2.7387 -2.6870 -2.6870 -2.5990 -2.5990 -2.0839 -2.0839 1.8125 1.8125 4.3015 4.3015 4.7767 4.7767 5.0689 5.0689 6.0728 6.0728 6.5288 6.5288 6.9465 6.9465 7.8817 7.8817 8.9619 8.9619 9.6539 9.6539 10.9014 10.9014 k = 0.1215-0.1921-0.3728 ( 4859 PWs) bands (ev): -17.1787 -17.1787 -17.1731 -17.1731 -14.1969 -14.1969 -14.1905 -14.1905 -14.1874 -14.1874 -4.9228 -4.9228 -4.8983 -4.8983 -4.8396 -4.8396 -3.4611 -3.4611 -2.7397 -2.7397 -2.6860 -2.6860 -2.5840 -2.5840 -2.0924 -2.0924 1.7714 1.7714 4.2128 4.2128 4.6682 4.6682 5.0109 5.0109 6.0917 6.0917 6.5546 6.5546 6.9766 6.9766 7.8794 7.8794 8.9048 8.9048 9.5924 9.5924 11.0187 11.0187 k = 0.1286-0.2034-0.3947 ( 4863 PWs) bands (ev): -17.1786 -17.1786 -17.1731 -17.1731 -14.1968 -14.1968 -14.1905 -14.1905 -14.1873 -14.1873 -4.9184 -4.9184 -4.8946 -4.8946 -4.8118 -4.8118 -3.4555 -3.4555 -2.7412 -2.7412 -2.6849 -2.6849 -2.5685 -2.5685 -2.1024 -2.1024 1.7326 1.7326 4.1221 4.1221 4.5566 4.5566 4.9586 4.9586 6.1129 6.1129 6.5770 6.5770 7.0121 7.0121 7.8709 7.8709 8.8471 8.8471 9.5176 9.5176 11.1370 11.1370 k = 0.1357-0.2147-0.4167 ( 4859 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1967 -14.1967 -14.1906 -14.1906 -14.1872 -14.1872 -4.9181 -4.9181 -4.8918 -4.8918 -4.7769 -4.7769 -3.4501 -3.4501 -2.7430 -2.7430 -2.6838 -2.6838 -2.5527 -2.5527 -2.1138 -2.1138 1.6965 1.6965 4.0313 4.0313 4.4445 4.4445 4.9089 4.9089 6.1357 6.1357 6.5959 6.5959 7.0522 7.0522 7.8555 7.8555 8.7919 8.7919 9.4348 9.4348 11.2505 11.2505 k = 0.1429-0.2260-0.4386 ( 4855 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1966 -14.1966 -14.1907 -14.1907 -14.1871 -14.1871 -4.9193 -4.9193 -4.8902 -4.8902 -4.7376 -4.7376 -3.4448 -3.4448 -2.7454 -2.7454 -2.6827 -2.6827 -2.5367 -2.5367 -2.1267 -2.1267 1.6633 1.6633 3.9416 3.9416 4.3335 4.3335 4.8596 4.8596 6.1594 6.1594 6.6114 6.6114 7.0959 7.0959 7.8328 7.8328 8.7416 8.7416 9.3482 9.3482 11.3515 11.3515 k = 0.1500-0.2373-0.4605 ( 4853 PWs) bands (ev): -17.1784 -17.1784 -17.1731 -17.1731 -14.1965 -14.1965 -14.1907 -14.1907 -14.1870 -14.1870 -4.9209 -4.9209 -4.8893 -4.8893 -4.6953 -4.6953 -3.4397 -3.4397 -2.7482 -2.7482 -2.6816 -2.6816 -2.5206 -2.5206 -2.1412 -2.1412 1.6333 1.6333 3.8541 3.8541 4.2248 4.2248 4.8097 4.8097 6.1830 6.1830 6.6239 6.6239 7.1423 7.1423 7.8027 7.8027 8.6979 8.6979 9.2615 9.2615 11.4319 11.4319 k = 0.1572-0.2486-0.4825 ( 4857 PWs) bands (ev): -17.1783 -17.1783 -17.1731 -17.1731 -14.1965 -14.1965 -14.1908 -14.1908 -14.1869 -14.1869 -4.9226 -4.9226 -4.8889 -4.8889 -4.6505 -4.6505 -3.4348 -3.4348 -2.7517 -2.7517 -2.6806 -2.6806 -2.5046 -2.5046 -2.1572 -2.1572 1.6066 1.6066 3.7694 3.7694 4.1196 4.1196 4.7585 4.7585 6.2054 6.2054 6.6334 6.6334 7.1902 7.1902 7.7657 7.7657 8.6614 8.6614 9.1777 9.1777 11.4899 11.4899 k = 0.1643-0.2599-0.5044 ( 4859 PWs) bands (ev): -17.1782 -17.1782 -17.1731 -17.1731 -14.1964 -14.1964 -14.1908 -14.1908 -14.1868 -14.1868 -4.9244 -4.9244 -4.8888 -4.8888 -4.6037 -4.6037 -3.4301 -3.4301 -2.7558 -2.7558 -2.6795 -2.6795 -2.4888 -2.4888 -2.1748 -2.1748 1.5832 1.5832 3.6882 3.6882 4.0185 4.0185 4.7056 4.7056 6.2251 6.2251 6.6401 6.6401 7.2382 7.2382 7.7234 7.7234 8.6322 8.6322 9.0995 9.0995 11.5317 11.5317 k = 0.1715-0.2712-0.5263 ( 4869 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1963 -14.1963 -14.1909 -14.1909 -14.1866 -14.1866 -4.9262 -4.9262 -4.8889 -4.8889 -4.5551 -4.5551 -3.4257 -3.4257 -2.7607 -2.7607 -2.6785 -2.6785 -2.4734 -2.4734 -2.1938 -2.1938 1.5631 1.5631 3.6108 3.6108 3.9222 3.9222 4.6511 4.6511 6.2407 6.2407 6.6443 6.6443 7.2848 7.2848 7.6779 7.6779 8.6096 8.6096 9.0294 9.0294 11.5653 11.5653 k = 0.1786-0.2825-0.5483 ( 4871 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1963 -14.1963 -14.1909 -14.1909 -14.1865 -14.1865 -4.9279 -4.9279 -4.8891 -4.8891 -4.5047 -4.5047 -3.4215 -3.4215 -2.7665 -2.7665 -2.6776 -2.6776 -2.4586 -2.4586 -2.2140 -2.2140 1.5461 1.5461 3.5377 3.5377 3.8315 3.8315 4.5950 4.5950 6.2507 6.2507 6.6457 6.6457 7.3276 7.3276 7.6328 7.6328 8.5928 8.5928 8.9695 8.9695 11.5959 11.5959 k = 0.1857-0.2938-0.5702 ( 4875 PWs) bands (ev): -17.1780 -17.1780 -17.1731 -17.1731 -14.1962 -14.1962 -14.1910 -14.1910 -14.1864 -14.1864 -4.9294 -4.9294 -4.8895 -4.8895 -4.4528 -4.4528 -3.4176 -3.4176 -2.7734 -2.7734 -2.6766 -2.6766 -2.4444 -2.4444 -2.2353 -2.2353 1.5320 1.5320 3.4692 3.4692 3.7470 3.7470 4.5374 4.5374 6.2534 6.2534 6.6442 6.6442 7.3615 7.3615 7.5942 7.5942 8.5811 8.5811 8.9214 8.9214 11.6264 11.6264 k = 0.1929-0.3051-0.5921 ( 4865 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1961 -14.1961 -14.1910 -14.1910 -14.1863 -14.1863 -4.9308 -4.9308 -4.8901 -4.8901 -4.3995 -4.3995 -3.4140 -3.4140 -2.7814 -2.7814 -2.6757 -2.6757 -2.4312 -2.4312 -2.2575 -2.2575 1.5205 1.5205 3.4054 3.4054 3.6694 3.6694 4.4784 4.4784 6.2475 6.2475 6.6397 6.6397 7.3763 7.3763 7.5733 7.5733 8.5742 8.5742 8.8864 8.8864 11.6584 11.6584 k = 0.2000-0.3164-0.6140 ( 4869 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1961 -14.1961 -14.1911 -14.1911 -14.1863 -14.1863 -4.9321 -4.9321 -4.8907 -4.8907 -4.3450 -4.3450 -3.4106 -3.4106 -2.7908 -2.7908 -2.6749 -2.6749 -2.4190 -2.4190 -2.2802 -2.2802 1.5111 1.5111 3.3468 3.3468 3.5991 3.5991 4.4184 4.4184 6.2321 6.2321 6.6316 6.6316 7.3626 7.3626 7.5810 7.5810 8.5718 8.5718 8.8650 8.8650 11.6926 11.6926 k = 0.2072-0.3277-0.6360 ( 4867 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1960 -14.1960 -14.1911 -14.1911 -14.1862 -14.1862 -4.9332 -4.9332 -4.8915 -4.8915 -4.2893 -4.2893 -3.4075 -3.4075 -2.8018 -2.8018 -2.6741 -2.6741 -2.4080 -2.4080 -2.3030 -2.3030 1.5035 1.5035 3.2935 3.2935 3.5369 3.5369 4.3574 4.3574 6.2067 6.2067 6.6197 6.6197 7.3267 7.3267 7.6117 7.6117 8.5736 8.5736 8.8573 8.8573 11.7293 11.7293 k = 0.2143-0.3390-0.6579 ( 4867 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1959 -14.1959 -14.1912 -14.1912 -14.1861 -14.1861 -4.9341 -4.9341 -4.8923 -4.8923 -4.2325 -4.2325 -3.4047 -3.4047 -2.8145 -2.8145 -2.6734 -2.6734 -2.3984 -2.3984 -2.3257 -2.3257 1.4971 1.4971 3.2460 3.2460 3.4832 3.4832 4.2959 4.2959 6.1714 6.1714 6.6034 6.6034 7.2805 7.2805 7.6549 7.6549 8.5791 8.5791 8.8633 8.8633 11.7686 11.7686 k = 0.2215-0.3503-0.6798 ( 4869 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1958 -14.1958 -14.1912 -14.1912 -14.1860 -14.1860 -4.9348 -4.9348 -4.8933 -4.8933 -4.1750 -4.1750 -3.4022 -3.4022 -2.8292 -2.8292 -2.6727 -2.6727 -2.3904 -2.3904 -2.3477 -2.3477 1.4911 1.4911 3.2047 3.2047 3.4382 3.4382 4.2339 4.2339 6.1268 6.1268 6.5821 6.5821 7.2304 7.2304 7.7050 7.7050 8.5870 8.5870 8.8830 8.8830 11.8106 11.8106 k = 0.2286-0.3616-0.7018 ( 4867 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1957 -14.1957 -14.1913 -14.1913 -14.1860 -14.1860 -4.9354 -4.9354 -4.8943 -4.8943 -4.1167 -4.1167 -3.4000 -3.4000 -2.8460 -2.8460 -2.6720 -2.6720 -2.3849 -2.3849 -2.3677 -2.3677 1.4852 1.4852 3.1701 3.1701 3.4022 3.4022 4.1718 4.1718 6.0740 6.0740 6.5554 6.5554 7.1795 7.1795 7.7599 7.7599 8.5962 8.5962 8.9162 8.9162 11.8551 11.8551 k = 0.2358-0.3729-0.7237 ( 4863 PWs) bands (ev): -17.1775 -17.1775 -17.1732 -17.1732 -14.1956 -14.1956 -14.1914 -14.1914 -14.1859 -14.1859 -4.9357 -4.9357 -4.8954 -4.8954 -4.0579 -4.0579 -3.3980 -3.3980 -2.8651 -2.8651 -2.6714 -2.6714 -2.3920 -2.3920 -2.3755 -2.3755 1.4787 1.4787 3.1427 3.1427 3.3754 3.3754 4.1099 4.1099 6.0142 6.0142 6.5226 6.5226 7.1297 7.1297 7.8184 7.8184 8.6058 8.6058 8.9623 8.9623 11.9017 11.9017 k = 0.2429-0.3842-0.7456 ( 4863 PWs) bands (ev): -17.1775 -17.1775 -17.1732 -17.1732 -14.1955 -14.1955 -14.1915 -14.1915 -14.1858 -14.1858 -4.9358 -4.9358 -4.8967 -4.8967 -3.9988 -3.9988 -3.3964 -3.3964 -2.8866 -2.8866 -2.6709 -2.6709 -2.4091 -2.4091 -2.3733 -2.3733 1.4711 1.4711 3.1228 3.1228 3.3578 3.3578 4.0485 4.0485 5.9488 5.9488 6.4835 6.4835 7.0823 7.0823 7.8793 7.8793 8.6158 8.6158 9.0199 9.0199 11.9501 11.9501 k = 0.2500-0.3955-0.7676 ( 4869 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1954 -14.1954 -14.1915 -14.1915 -14.1858 -14.1858 -4.9357 -4.9357 -4.8980 -4.8980 -3.9396 -3.9396 -3.3950 -3.3950 -2.9103 -2.9103 -2.6704 -2.6704 -2.4253 -2.4253 -2.3719 -2.3719 1.4621 1.4621 3.1106 3.1106 3.3494 3.3494 3.9879 3.9879 5.8790 5.8790 6.4380 6.4380 7.0382 7.0382 7.9412 7.9412 8.6271 8.6271 9.0877 9.0877 11.9998 11.9998 k = 0.2572-0.4068-0.7895 ( 4859 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1953 -14.1953 -14.1916 -14.1916 -14.1858 -14.1858 -4.9354 -4.9354 -4.8995 -4.8995 -3.8805 -3.8805 -3.3939 -3.3939 -2.9363 -2.9363 -2.6699 -2.6699 -2.4397 -2.4397 -2.3721 -2.3721 1.4514 1.4514 3.1061 3.1061 3.3501 3.3501 3.9285 3.9285 5.8059 5.8059 6.3862 6.3862 6.9979 6.9979 8.0023 8.0023 8.6411 8.6411 9.1641 9.1641 12.0501 12.0501 k = 0.2643-0.4181-0.8114 ( 4861 PWs) bands (ev): -17.1774 -17.1774 -17.1732 -17.1732 -14.1951 -14.1951 -14.1917 -14.1917 -14.1857 -14.1857 -4.9350 -4.9350 -4.9010 -4.9010 -3.8217 -3.8217 -3.3931 -3.3931 -2.9643 -2.9643 -2.6694 -2.6694 -2.4520 -2.4520 -2.3739 -2.3739 1.4390 1.4390 3.1090 3.1090 3.3600 3.3600 3.8709 3.8709 5.7305 5.7305 6.3289 6.3289 6.9614 6.9614 8.0600 8.0600 8.6598 8.6598 9.2477 9.2477 12.0999 12.0999 k = 0.2715-0.4294-0.8333 ( 4847 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1950 -14.1950 -14.1919 -14.1919 -14.1857 -14.1857 -4.9343 -4.9343 -4.9026 -4.9026 -3.7637 -3.7637 -3.3926 -3.3926 -2.9940 -2.9940 -2.6690 -2.6690 -2.4622 -2.4622 -2.3775 -2.3775 1.4250 1.4250 3.1184 3.1184 3.3789 3.3789 3.8157 3.8157 5.6539 5.6539 6.2668 6.2668 6.9285 6.9285 8.1117 8.1117 8.6856 8.6856 9.3375 9.3375 12.1477 12.1477 k = 0.2786-0.4407-0.8553 ( 4849 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1948 -14.1948 -14.1920 -14.1920 -14.1857 -14.1857 -4.9334 -4.9334 -4.9044 -4.9044 -3.7067 -3.7067 -3.3924 -3.3924 -3.0250 -3.0250 -2.6687 -2.6687 -2.4702 -2.4702 -2.3827 -2.3827 1.4097 1.4097 3.1332 3.1332 3.4066 3.4066 3.7640 3.7640 5.5766 5.5766 6.2009 6.2009 6.8988 6.8988 8.1545 8.1545 8.7211 8.7211 9.4322 9.4322 12.1904 12.1904 k = 0.2858-0.4520-0.8772 ( 4847 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1947 -14.1947 -14.1921 -14.1921 -14.1857 -14.1857 -4.9323 -4.9323 -4.9062 -4.9062 -3.6512 -3.6512 -3.3924 -3.3924 -3.0569 -3.0569 -2.6683 -2.6683 -2.4761 -2.4761 -2.3896 -2.3896 1.3935 1.3935 3.1519 3.1519 3.4426 3.4426 3.7176 3.7176 5.4994 5.4994 6.1322 6.1322 6.8717 6.8717 8.1864 8.1864 8.7680 8.7680 9.5309 9.5309 12.2220 12.2220 k = 0.2929-0.4633-0.8991 ( 4845 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1945 -14.1945 -14.1923 -14.1923 -14.1857 -14.1857 -4.9310 -4.9310 -4.9081 -4.9081 -3.5976 -3.5976 -3.3927 -3.3927 -3.0891 -3.0891 -2.6680 -2.6680 -2.4799 -2.4799 -2.3979 -2.3979 1.3768 1.3768 3.1718 3.1718 3.4854 3.4854 3.6794 3.6794 5.4229 5.4229 6.0616 6.0616 6.8467 6.8467 8.2067 8.2067 8.8264 8.8264 9.6328 9.6328 12.2282 12.2282 k = 0.3001-0.4746-0.9211 ( 4845 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1943 -14.1943 -14.1924 -14.1924 -14.1857 -14.1857 -4.9296 -4.9296 -4.9101 -4.9101 -3.5468 -3.5468 -3.3933 -3.3933 -3.1210 -3.1210 -2.6677 -2.6677 -2.4816 -2.4816 -2.4076 -2.4076 1.3600 1.3600 3.1898 3.1898 3.5312 3.5312 3.6562 3.6562 5.3476 5.3476 5.9898 5.9898 6.8236 6.8236 8.2165 8.2165 8.8951 8.8951 9.7370 9.7370 12.1987 12.1987 k = 0.3072-0.4859-0.9430 ( 4837 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1941 -14.1941 -14.1926 -14.1926 -14.1857 -14.1857 -4.9280 -4.9280 -4.9121 -4.9121 -3.4997 -3.4997 -3.3942 -3.3942 -3.1514 -3.1514 -2.6674 -2.6674 -2.4814 -2.4814 -2.4186 -2.4186 1.3438 1.3438 3.2013 3.2013 3.5674 3.5674 3.6637 3.6637 5.2740 5.2740 5.9176 5.9176 6.8018 6.8018 8.2173 8.2173 8.9721 8.9721 9.8426 9.8426 12.1453 12.1453 k = 0.3143-0.4972-0.9649 ( 4845 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1939 -14.1939 -14.1928 -14.1928 -14.1857 -14.1857 -4.9263 -4.9263 -4.9142 -4.9142 -3.4581 -3.4581 -3.3953 -3.3953 -3.1787 -3.1787 -2.6671 -2.6671 -2.4791 -2.4791 -2.4307 -2.4307 1.3286 1.3286 3.2024 3.2024 3.5876 3.5876 3.7118 3.7118 5.2028 5.2028 5.8455 5.8455 6.7813 6.7813 8.2109 8.2109 9.0551 9.0551 9.9485 9.9485 12.0761 12.0761 k = 0.3215-0.5085-0.9869 ( 4845 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1937 -14.1937 -14.1930 -14.1930 -14.1857 -14.1857 -4.9245 -4.9245 -4.9163 -4.9163 -3.4253 -3.4253 -3.3962 -3.3962 -3.1999 -3.1999 -2.6668 -2.6668 -2.4751 -2.4751 -2.4434 -2.4434 1.3149 1.3149 3.1909 3.1909 3.6105 3.6105 3.7824 3.7824 5.1345 5.1345 5.7740 5.7740 6.7619 6.7619 8.1991 8.1991 9.1418 9.1418 10.0533 10.0533 11.9942 11.9942 k = 0.3286-0.5198-1.0088 ( 4861 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1935 -14.1935 -14.1932 -14.1932 -14.1857 -14.1857 -4.9230 -4.9230 -4.9180 -4.9180 -3.4085 -3.4085 -3.3945 -3.3945 -3.2106 -3.2106 -2.6666 -2.6666 -2.4708 -2.4708 -2.4552 -2.4552 1.3030 1.3030 3.1684 3.1684 3.6451 3.6451 3.8640 3.8640 5.0699 5.0699 5.7034 5.7034 6.7434 6.7434 8.1830 8.1830 9.2301 9.2301 10.1555 10.1555 11.9022 11.9022 k = 0.3358-0.5311-1.0307 ( 4865 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1935 -14.1935 -14.1932 -14.1932 -14.1857 -14.1857 -4.9229 -4.9229 -4.9183 -4.9183 -3.4096 -3.4096 -3.3920 -3.3920 -3.2071 -3.2071 -2.6664 -2.6664 -2.4763 -2.4763 -2.4558 -2.4558 1.2933 1.2933 3.1381 3.1381 3.6903 3.6903 3.9529 3.9529 5.0097 5.0097 5.6342 5.6342 6.7259 6.7259 8.1636 8.1636 9.3180 9.3180 10.2529 10.2529 11.8028 11.8028 k = 0.3429-0.5424-1.0526 ( 4855 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1937 -14.1937 -14.1930 -14.1930 -14.1857 -14.1857 -4.9246 -4.9246 -4.9167 -4.9167 -3.4199 -3.4199 -3.3952 -3.3952 -3.1913 -3.1913 -2.6662 -2.6662 -2.4901 -2.4901 -2.4464 -2.4464 1.2861 1.2861 3.1029 3.1029 3.7429 3.7429 4.0474 4.0474 4.9554 4.9554 5.5667 5.5667 6.7093 6.7093 8.1418 8.1418 9.4034 9.4034 10.3423 10.3423 11.6990 11.6990 k = 0.6571-0.3977-0.9644 ( 4855 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1937 -14.1937 -14.1930 -14.1930 -14.1857 -14.1857 -4.9246 -4.9246 -4.9167 -4.9167 -3.4199 -3.4199 -3.3952 -3.3952 -3.1913 -3.1913 -2.6662 -2.6662 -2.4901 -2.4901 -2.4464 -2.4464 1.2861 1.2861 3.1029 3.1029 3.7429 3.7429 4.0474 4.0474 4.9554 4.9554 5.5667 5.5667 6.7093 6.7093 8.1418 8.1418 9.4034 9.4034 10.3423 10.3423 11.6990 11.6990 k = 0.6499-0.3730-0.9644 ( 4851 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1939 -14.1939 -14.1928 -14.1928 -14.1857 -14.1857 -4.9269 -4.9269 -4.9145 -4.9145 -3.4386 -3.4386 -3.3994 -3.3994 -3.1690 -3.1690 -2.6661 -2.6661 -2.5054 -2.5054 -2.4341 -2.4341 1.2815 1.2815 3.0653 3.0653 3.7996 3.7996 4.1462 4.1462 4.9085 4.9085 5.5013 5.5013 6.6937 6.6937 8.1181 8.1181 9.4837 9.4837 10.4199 10.4199 11.5939 11.5939 k = 0.6428-0.3483-0.9644 ( 4849 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1941 -14.1941 -14.1926 -14.1926 -14.1857 -14.1857 -4.9293 -4.9293 -4.9121 -4.9121 -3.4626 -3.4626 -3.4029 -3.4029 -3.1449 -3.1449 -2.6660 -2.6660 -2.5211 -2.5211 -2.4197 -2.4197 1.2799 1.2799 3.0266 3.0266 3.8572 3.8572 4.2477 4.2477 4.8713 4.8713 5.4384 5.4384 6.6792 6.6792 8.0929 8.0929 9.5558 9.5558 10.4804 10.4804 11.4905 11.4905 k = 0.6357-0.3237-0.9644 ( 4847 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1943 -14.1943 -14.1924 -14.1924 -14.1857 -14.1857 -4.9318 -4.9318 -4.9095 -4.9095 -3.4889 -3.4889 -3.4060 -3.4060 -3.1214 -3.1214 -2.6659 -2.6659 -2.5369 -2.5369 -2.4036 -2.4036 1.2812 1.2812 2.9877 2.9877 3.9123 3.9123 4.3501 4.3501 4.8473 4.8473 5.3787 5.3787 6.6660 6.6660 8.0666 8.0666 9.6158 9.6158 10.5180 10.5180 11.3910 11.3910 k = 0.6285-0.2990-0.9644 ( 4839 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1946 -14.1946 -14.1922 -14.1922 -14.1856 -14.1856 -4.9343 -4.9343 -4.9070 -4.9070 -3.5159 -3.5159 -3.4092 -3.4092 -3.0996 -3.0996 -2.6660 -2.6660 -2.5526 -2.5526 -2.3860 -2.3860 1.2854 1.2854 2.9495 2.9495 3.9610 3.9610 4.4507 4.4507 4.8410 4.8410 5.3230 5.3230 6.6542 6.6542 8.0395 8.0395 9.6587 9.6587 10.5282 10.5282 11.2974 11.2974 k = 0.6214-0.2744-0.9644 ( 4835 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1948 -14.1948 -14.1920 -14.1920 -14.1856 -14.1856 -4.9369 -4.9369 -4.9044 -4.9044 -3.5428 -3.5428 -3.4123 -3.4123 -3.0799 -3.0799 -2.6661 -2.6661 -2.5680 -2.5680 -2.3673 -2.3673 1.2926 1.2926 2.9122 2.9122 3.9994 3.9994 4.5458 4.5458 4.8572 4.8572 5.2732 5.2732 6.6440 6.6440 8.0116 8.0116 9.6792 9.6792 10.5093 10.5093 11.2120 11.2120 k = 0.6142-0.2497-0.9644 ( 4832 PWs) bands (ev): -17.1772 -17.1772 -17.1732 -17.1732 -14.1950 -14.1950 -14.1919 -14.1919 -14.1856 -14.1856 -4.9394 -4.9394 -4.9018 -4.9018 -3.5690 -3.5690 -3.4154 -3.4154 -3.0626 -3.0626 -2.6663 -2.6663 -2.5831 -2.5831 -2.3478 -2.3478 1.3026 1.3026 2.8762 2.8762 4.0246 4.0246 4.6315 4.6315 4.8986 4.8986 5.2325 5.2325 6.6357 6.6357 7.9833 7.9833 9.6725 9.6725 10.4627 10.4627 11.1393 11.1393 k = 0.6071-0.2251-0.9644 ( 4838 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1953 -14.1953 -14.1917 -14.1917 -14.1855 -14.1855 -4.9419 -4.9419 -4.8992 -4.8992 -3.5943 -3.5943 -3.4186 -3.4186 -3.0476 -3.0476 -2.6668 -2.6668 -2.5975 -2.5975 -2.3280 -2.3280 1.3153 1.3153 2.8417 2.8417 4.0354 4.0354 4.7061 4.7061 4.9586 4.9586 5.2090 5.2090 6.6297 6.6297 7.9543 7.9543 9.6362 9.6362 10.3911 10.3911 11.0844 11.0844 k = 0.6000-0.2004-0.9644 ( 4844 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1955 -14.1955 -14.1915 -14.1915 -14.1855 -14.1855 -4.9444 -4.9444 -4.8966 -4.8966 -3.6184 -3.6184 -3.4219 -3.4219 -3.0348 -3.0348 -2.6675 -2.6675 -2.6111 -2.6111 -2.3080 -2.3080 1.3304 1.3304 2.8090 2.8090 4.0334 4.0334 4.7686 4.7686 5.0187 5.0187 5.2202 5.2202 6.6265 6.6265 7.9249 7.9249 9.5718 9.5718 10.2973 10.2973 11.0484 11.0484 k = 0.5928-0.1757-0.9644 ( 4848 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1957 -14.1957 -14.1914 -14.1914 -14.1854 -14.1854 -4.9468 -4.9468 -4.8941 -4.8941 -3.6412 -3.6412 -3.4251 -3.4251 -3.0239 -3.0239 -2.6687 -2.6687 -2.6235 -2.6235 -2.2884 -2.2884 1.3477 1.3477 2.7781 2.7781 4.0213 4.0213 4.8119 4.8119 5.0671 5.0671 5.2808 5.2808 6.6266 6.6266 7.8947 7.8947 9.4836 9.4836 10.1850 10.1850 11.0265 11.0265 k = 0.5857-0.1511-0.9644 ( 4848 PWs) bands (ev): -17.1773 -17.1773 -17.1732 -17.1732 -14.1959 -14.1959 -14.1913 -14.1913 -14.1854 -14.1854 -4.9491 -4.9491 -4.8917 -4.8917 -3.6626 -3.6626 -3.4283 -3.4283 -3.0148 -3.0148 -2.6706 -2.6706 -2.6345 -2.6345 -2.2693 -2.2693 1.3667 1.3667 2.7491 2.7491 4.0021 4.0021 4.8270 4.8270 5.1236 5.1236 5.3757 5.3757 6.6307 6.6307 7.8636 7.8636 9.3778 9.3778 10.0591 10.0591 11.0090 11.0090 k = 0.5785-0.1264-0.9644 ( 4854 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1961 -14.1961 -14.1912 -14.1912 -14.1853 -14.1853 -4.9514 -4.9514 -4.8894 -4.8894 -3.6825 -3.6825 -3.4315 -3.4315 -3.0072 -3.0072 -2.6738 -2.6738 -2.6434 -2.6434 -2.2510 -2.2510 1.3871 1.3871 2.7222 2.7222 3.9785 3.9785 4.8181 4.8181 5.1994 5.1994 5.4851 5.4851 6.6396 6.6396 7.8312 7.8312 9.2603 9.2603 9.9240 9.9240 10.9865 10.9865 k = 0.5714-0.1018-0.9644 ( 4860 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1963 -14.1963 -14.1910 -14.1910 -14.1853 -14.1853 -4.9535 -4.9535 -4.8872 -4.8872 -3.7008 -3.7008 -3.4346 -3.4346 -3.0009 -3.0009 -2.6787 -2.6787 -2.6497 -2.6497 -2.2339 -2.2339 1.4085 1.4085 2.6975 2.6975 3.9526 3.9526 4.7967 4.7967 5.2884 5.2884 5.5995 5.5995 6.6546 6.6546 7.7970 7.7970 9.1362 9.1362 9.7836 9.7836 10.9538 10.9538 k = 0.5643-0.0771-0.9644 ( 4862 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1965 -14.1965 -14.1910 -14.1910 -14.1852 -14.1852 -4.9554 -4.9554 -4.8852 -4.8852 -3.7174 -3.7174 -3.4375 -3.4375 -2.9957 -2.9957 -2.6850 -2.6850 -2.6536 -2.6536 -2.2180 -2.2180 1.4302 1.4302 2.6749 2.6749 3.9259 3.9259 4.7704 4.7704 5.3835 5.3835 5.7146 5.7146 6.6766 6.6766 7.7602 7.7602 9.0098 9.0098 9.6409 9.6409 10.9113 10.9113 k = 0.5571-0.0525-0.9644 ( 4870 PWs) bands (ev): -17.1774 -17.1774 -17.1731 -17.1731 -14.1966 -14.1966 -14.1909 -14.1909 -14.1851 -14.1851 -4.9573 -4.9573 -4.8833 -4.8833 -3.7324 -3.7324 -3.4402 -3.4402 -2.9915 -2.9915 -2.6920 -2.6920 -2.6559 -2.6559 -2.2035 -2.2035 1.4517 1.4517 2.6545 2.6545 3.8995 3.8995 4.7433 4.7433 5.4792 5.4792 5.8280 5.8280 6.7067 6.7067 7.7202 7.7202 8.8852 8.8852 9.4989 9.4989 10.8627 10.8627 k = 0.5500-0.0278-0.9644 ( 4870 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1968 -14.1968 -14.1908 -14.1908 -14.1851 -14.1851 -4.9589 -4.9589 -4.8815 -4.8815 -3.7457 -3.7457 -3.4428 -3.4428 -2.9882 -2.9882 -2.6989 -2.6989 -2.6573 -2.6573 -2.1905 -2.1905 1.4726 1.4726 2.6364 2.6364 3.8745 3.8745 4.7172 4.7172 5.5713 5.5713 5.9384 5.9384 6.7456 6.7456 7.6761 7.6761 8.7656 8.7656 9.3601 9.3601 10.8124 10.8124 k = 0.5428-0.0031-0.9644 ( 4864 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1850 -14.1850 -4.9604 -4.9604 -4.8800 -4.8800 -3.7573 -3.7573 -3.4451 -3.4451 -2.9855 -2.9855 -2.7052 -2.7052 -2.6581 -2.6581 -2.1791 -2.1791 1.4922 1.4922 2.6207 2.6207 3.8514 3.8514 4.6934 4.6934 5.6556 5.6556 6.0452 6.0452 6.7929 6.7929 7.6273 7.6273 8.6544 8.6544 9.2274 9.2274 10.7639 10.7639 k = 0.5357 0.0215-0.9644 ( 4868 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1850 -14.1850 -4.9616 -4.9616 -4.8787 -4.8787 -3.7671 -3.7671 -3.4471 -3.4471 -2.9834 -2.9834 -2.7108 -2.7108 -2.6587 -2.6587 -2.1694 -2.1694 1.5100 1.5100 2.6073 2.6073 3.8309 3.8309 4.6724 4.6724 5.7288 5.7288 6.1481 6.1481 6.8465 6.8465 7.5740 7.5740 8.5544 8.5544 9.1040 9.1040 10.7197 10.7197 k = 0.5286 0.0462-0.9644 ( 4870 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1971 -14.1971 -14.1907 -14.1907 -14.1849 -14.1849 -4.9627 -4.9627 -4.8776 -4.8776 -3.7751 -3.7751 -3.4488 -3.4488 -2.9819 -2.9819 -2.7154 -2.7154 -2.6590 -2.6590 -2.1615 -2.1615 1.5253 1.5253 2.5963 2.5963 3.8134 3.8134 4.6548 4.6548 5.7886 5.7886 6.2463 6.2463 6.9021 6.9021 7.5181 7.5181 8.4678 8.4678 8.9938 8.9938 10.6816 10.6816 k = 0.5214 0.0708-0.9644 ( 4870 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9635 -4.9635 -4.8768 -4.8768 -3.7814 -3.7814 -3.4501 -3.4501 -2.9807 -2.9807 -2.7191 -2.7191 -2.6593 -2.6593 -2.1552 -2.1552 1.5378 1.5378 2.5877 2.5877 3.7994 3.7994 4.6408 4.6408 5.8341 5.8341 6.3369 6.3369 6.9533 6.9533 7.4638 7.4638 8.3968 8.3968 8.9012 8.9012 10.6510 10.6510 k = 0.5143 0.0955-0.9644 ( 4870 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9641 -4.9641 -4.8761 -4.8761 -3.7859 -3.7859 -3.4511 -3.4511 -2.9799 -2.9799 -2.7217 -2.7217 -2.6594 -2.6594 -2.1508 -2.1508 1.5471 1.5471 2.5816 2.5816 3.7891 3.7891 4.6307 4.6307 5.8655 5.8655 6.4136 6.4136 6.9927 6.9927 7.4179 7.4179 8.3431 8.3431 8.8309 8.8309 10.6285 10.6285 k = 0.5071 0.1201-0.9644 ( 4872 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9645 -4.9645 -4.8758 -4.8758 -3.7886 -3.7886 -3.4516 -3.4516 -2.9795 -2.9795 -2.7233 -2.7233 -2.6595 -2.6595 -2.1481 -2.1481 1.5527 1.5527 2.5779 2.5779 3.7829 3.7829 4.6246 4.6246 5.8839 5.8839 6.4672 6.4672 7.0152 7.0152 7.3880 7.3880 8.3093 8.3093 8.7868 8.7868 10.6149 10.6149 k = 0.5000 0.1448-0.9644 ( 4874 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9646 -4.9646 -4.8756 -4.8756 -3.7894 -3.7894 -3.4518 -3.4518 -2.9793 -2.9793 -2.7239 -2.7239 -2.6596 -2.6596 -2.1472 -2.1472 1.5547 1.5547 2.5767 2.5767 3.7808 3.7808 4.6225 4.6225 5.8899 5.8899 6.4867 6.4867 7.0219 7.0219 7.3779 7.3779 8.2977 8.2977 8.7718 8.7718 10.6103 10.6103 k = 0.5000 0.1448-0.9644 ( 4874 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9646 -4.9646 -4.8756 -4.8756 -3.7894 -3.7894 -3.4518 -3.4518 -2.9793 -2.9793 -2.7239 -2.7239 -2.6596 -2.6596 -2.1472 -2.1472 1.5547 1.5547 2.5767 2.5767 3.7808 3.7808 4.6225 4.6225 5.8899 5.8899 6.4867 6.4867 7.0219 7.0219 7.3779 7.3779 8.2977 8.2977 8.7718 8.7718 10.6103 10.6103 k = 0.5196 0.1505-0.9533 ( 4876 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9646 -4.9646 -4.8756 -4.8756 -3.7900 -3.7900 -3.4516 -3.4516 -2.9787 -2.9787 -2.7239 -2.7239 -2.6596 -2.6596 -2.1477 -2.1477 1.5529 1.5529 2.5817 2.5817 3.7823 3.7823 4.6238 4.6238 5.8819 5.8819 6.4682 6.4682 7.0236 7.0236 7.3857 7.3857 8.3096 8.3096 8.7813 8.7813 10.6120 10.6120 k = 0.5393 0.1562-0.9423 ( 4875 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9647 -4.9647 -4.8756 -4.8756 -3.7916 -3.7916 -3.4510 -3.4510 -2.9771 -2.9771 -2.7238 -2.7238 -2.6597 -2.6597 -2.1492 -2.1492 1.5479 1.5479 2.5966 2.5966 3.7869 3.7869 4.6275 4.6275 5.8577 5.8577 6.4185 6.4185 7.0219 7.0219 7.4115 7.4115 8.3440 8.3440 8.8099 8.8099 10.6170 10.6170 k = 0.5589 0.1618-0.9313 ( 4868 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9648 -4.9648 -4.8756 -4.8756 -3.7943 -3.7943 -3.4499 -3.4499 -2.9743 -2.9743 -2.7238 -2.7238 -2.6599 -2.6599 -2.1516 -2.1516 1.5398 1.5398 2.6211 2.6211 3.7946 3.7946 4.6337 4.6337 5.8169 5.8169 6.3501 6.3501 7.0060 7.0060 7.4577 7.4577 8.3972 8.3972 8.8573 8.8573 10.6252 10.6252 k = 0.5785 0.1675-0.9202 ( 4860 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9649 -4.9649 -4.8756 -4.8756 -3.7981 -3.7981 -3.4485 -3.4485 -2.9703 -2.9703 -2.7238 -2.7238 -2.6602 -2.6602 -2.1549 -2.1549 1.5292 1.5292 2.6546 2.6546 3.8053 3.8053 4.6424 4.6424 5.7592 5.7592 6.2739 6.2739 6.9730 6.9730 7.5216 7.5216 8.4646 8.4646 8.9234 8.9234 10.6367 10.6367 k = 0.5982 0.1732-0.9092 ( 4856 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9650 -4.9650 -4.8756 -4.8756 -3.8029 -3.8029 -3.4469 -3.4469 -2.9652 -2.9652 -2.7238 -2.7238 -2.6605 -2.6605 -2.1590 -2.1590 1.5166 1.5166 2.6963 2.6963 3.8189 3.8189 4.6535 4.6535 5.6849 5.6849 6.1971 6.1971 6.9262 6.9262 7.5972 7.5972 8.5418 8.5418 9.0074 9.0074 10.6514 10.6514 k = 0.6178 0.1789-0.8982 ( 4852 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9652 -4.9652 -4.8756 -4.8756 -3.8087 -3.8087 -3.4450 -3.4450 -2.9589 -2.9589 -2.7238 -2.7238 -2.6609 -2.6609 -2.1639 -2.1639 1.5027 1.5027 2.7456 2.7456 3.8354 3.8354 4.6671 4.6671 5.5957 5.5957 6.1232 6.1232 6.8699 6.8699 7.6794 7.6794 8.6254 8.6254 9.1080 9.1080 10.6690 10.6690 k = 0.6374 0.1846-0.8871 ( 4858 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9653 -4.9653 -4.8757 -4.8757 -3.8154 -3.8154 -3.4431 -3.4431 -2.9514 -2.9514 -2.7237 -2.7237 -2.6614 -2.6614 -2.1695 -2.1695 1.4879 1.4879 2.8017 2.8017 3.8548 3.8548 4.6830 4.6830 5.4942 5.4942 6.0533 6.0533 6.8075 6.8075 7.7651 7.7651 8.7130 8.7130 9.2235 9.2235 10.6895 10.6895 k = 0.6571 0.1903-0.8761 ( 4860 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9655 -4.9655 -4.8757 -4.8757 -3.8231 -3.8231 -3.4412 -3.4412 -2.9427 -2.9427 -2.7237 -2.7237 -2.6619 -2.6619 -2.1757 -2.1757 1.4728 1.4728 2.8638 2.8638 3.8768 3.8768 4.7012 4.7012 5.3838 5.3838 5.9871 5.9871 6.7413 6.7413 7.8522 7.8522 8.8033 8.8033 9.3514 9.3514 10.7126 10.7126 k = 0.6571 0.1903-0.8761 ( 4860 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9655 -4.9655 -4.8757 -4.8757 -3.8231 -3.8231 -3.4412 -3.4412 -2.9427 -2.9427 -2.7237 -2.7237 -2.6619 -2.6619 -2.1757 -2.1757 1.4728 1.4728 2.8638 2.8638 3.8768 3.8768 4.7012 4.7012 5.3838 5.3838 5.9871 5.9871 6.7413 6.7413 7.8522 7.8522 8.8033 8.8033 9.3514 9.3514 10.7126 10.7126 k = 0.6529 0.1891-0.8507 ( 4858 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1849 -14.1849 -4.9660 -4.9660 -4.8757 -4.8757 -3.8493 -3.8493 -3.4237 -3.4237 -2.9509 -2.9509 -2.7237 -2.7237 -2.6625 -2.6625 -2.1685 -2.1685 1.4738 1.4738 2.9316 2.9316 3.8734 3.8734 4.7025 4.7025 5.3100 5.3100 5.9950 5.9950 6.7578 6.7578 7.8511 7.8511 8.8204 8.8204 9.4176 9.4176 10.7100 10.7100 k = 0.6488 0.1879-0.8253 ( 4861 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1850 -14.1850 -4.9664 -4.9664 -4.8758 -4.8758 -3.8809 -3.8809 -3.4113 -3.4113 -2.9528 -2.9528 -2.7236 -2.7236 -2.6632 -2.6632 -2.1594 -2.1594 1.4759 1.4759 3.0063 3.0063 3.8735 3.8735 4.7069 4.7069 5.2353 5.2353 6.0070 6.0070 6.7769 6.7769 7.8475 7.8475 8.8330 8.8330 9.4947 9.4947 10.7116 10.7116 k = 0.6447 0.1867-0.8000 ( 4863 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1972 -14.1972 -14.1906 -14.1906 -14.1851 -14.1851 -4.9667 -4.9667 -4.8759 -4.8759 -3.9166 -3.9166 -3.4049 -3.4049 -2.9486 -2.9486 -2.7235 -2.7235 -2.6639 -2.6639 -2.1481 -2.1481 1.4792 1.4792 3.0870 3.0870 3.8776 3.8776 4.7142 4.7142 5.1614 5.1614 6.0220 6.0220 6.7983 6.7983 7.8421 7.8421 8.8421 8.8421 9.5801 9.5801 10.7172 10.7172 k = 0.6405 0.1855-0.7746 ( 4862 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1971 -14.1971 -14.1906 -14.1906 -14.1852 -14.1852 -4.9669 -4.9669 -4.8760 -4.8760 -3.9556 -3.9556 -3.4047 -3.4047 -2.9396 -2.9396 -2.7233 -2.7233 -2.6647 -2.6647 -2.1342 -2.1342 1.4840 1.4840 3.1726 3.1726 3.8859 3.8859 4.7244 4.7244 5.0898 5.0898 6.0394 6.0394 6.8219 6.8219 7.8352 7.8352 8.8486 8.8486 9.6716 9.6716 10.7271 10.7271 k = 0.6364 0.1843-0.7492 ( 4860 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1971 -14.1971 -14.1907 -14.1907 -14.1852 -14.1852 -4.9670 -4.9670 -4.8761 -4.8761 -3.9970 -3.9970 -3.4101 -3.4101 -2.9272 -2.9272 -2.7231 -2.7231 -2.6655 -2.6655 -2.1173 -2.1173 1.4904 1.4904 3.2618 3.2618 3.8989 3.8989 4.7374 4.7374 5.0218 5.0218 6.0588 6.0588 6.8474 6.8474 7.8271 7.8271 8.8535 8.8535 9.7667 9.7667 10.7411 10.7411 k = 0.6323 0.1831-0.7238 ( 4862 PWs) bands (ev): -17.1777 -17.1777 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1854 -14.1854 -4.9671 -4.9671 -4.8762 -4.8762 -4.0403 -4.0403 -3.4202 -3.4202 -2.9130 -2.9130 -2.7230 -2.7230 -2.6663 -2.6663 -2.0972 -2.0972 1.4985 1.4985 3.3531 3.3531 3.9172 3.9172 4.7529 4.7529 4.9589 4.9589 6.0797 6.0797 6.8747 6.8747 7.8182 7.8182 8.8574 8.8574 9.8633 9.8633 10.7593 10.7593 k = 0.6281 0.1819-0.6985 ( 4864 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1970 -14.1970 -14.1907 -14.1907 -14.1855 -14.1855 -4.9671 -4.9671 -4.8764 -4.8764 -4.0848 -4.0848 -3.4342 -3.4342 -2.8981 -2.8981 -2.7228 -2.7228 -2.6672 -2.6672 -2.0741 -2.0741 1.5083 1.5083 3.4445 3.4445 3.9419 3.9419 4.7700 4.7700 4.9029 4.9029 6.1019 6.1019 6.9037 6.9037 7.8085 7.8085 8.8606 8.8606 9.9590 9.9590 10.7816 10.7816 k = 0.6240 0.1807-0.6731 ( 4867 PWs) bands (ev): -17.1778 -17.1778 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1856 -14.1856 -4.9671 -4.9671 -4.8765 -4.8765 -4.1301 -4.1301 -3.4512 -3.4512 -2.8837 -2.8837 -2.7226 -2.7226 -2.6681 -2.6681 -2.0479 -2.0479 1.5197 1.5197 3.5334 3.5334 3.9743 3.9743 4.7850 4.7850 4.8590 4.8590 6.1251 6.1251 6.9343 6.9343 7.7981 7.7981 8.8636 8.8636 10.0514 10.0514 10.8078 10.8078 k = 0.6199 0.1795-0.6477 ( 4860 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1969 -14.1969 -14.1907 -14.1907 -14.1857 -14.1857 -4.9671 -4.9671 -4.8767 -4.8767 -4.1758 -4.1758 -3.4707 -3.4707 -2.8702 -2.8702 -2.7225 -2.7225 -2.6691 -2.6691 -2.0191 -2.0191 1.5327 1.5327 3.6167 3.6167 4.0161 4.0161 4.7818 4.7818 4.8449 4.8449 6.1491 6.1491 6.9662 6.9662 7.7872 7.7872 8.8664 8.8664 10.1374 10.1374 10.8379 10.8379 k = 0.6157 0.1783-0.6223 ( 4863 PWs) bands (ev): -17.1779 -17.1779 -17.1731 -17.1731 -14.1968 -14.1968 -14.1907 -14.1907 -14.1859 -14.1859 -4.9671 -4.9671 -4.8769 -4.8769 -4.2216 -4.2216 -3.4920 -3.4920 -2.8580 -2.8580 -2.7225 -2.7225 -2.6701 -2.6701 -1.9879 -1.9879 1.5469 1.5469 3.6912 3.6912 4.0682 4.0682 4.7603 4.7603 4.8628 4.8628 6.1737 6.1737 6.9994 6.9994 7.7758 7.7758 8.8693 8.8693 10.2132 10.2132 10.8715 10.8715 k = 0.6116 0.1771-0.5969 ( 4865 PWs) bands (ev): -17.1780 -17.1780 -17.1731 -17.1731 -14.1968 -14.1968 -14.1908 -14.1908 -14.1860 -14.1860 -4.9671 -4.9671 -4.8771 -4.8771 -4.2672 -4.2672 -3.5149 -3.5149 -2.8472 -2.8472 -2.7224 -2.7224 -2.6711 -2.6711 -1.9550 -1.9550 1.5624 1.5624 3.7552 3.7552 4.1296 4.1296 4.7447 4.7447 4.8913 4.8913 6.1986 6.1986 7.0336 7.0336 7.7640 7.7640 8.8723 8.8723 10.2741 10.2741 10.9081 10.9081 k = 0.6075 0.1759-0.5716 ( 4863 PWs) bands (ev): -17.1780 -17.1780 -17.1731 -17.1731 -14.1968 -14.1968 -14.1908 -14.1908 -14.1861 -14.1861 -4.9672 -4.9672 -4.8773 -4.8773 -4.3123 -4.3123 -3.5390 -3.5390 -2.8376 -2.8376 -2.7225 -2.7225 -2.6721 -2.6721 -1.9207 -1.9207 1.5788 1.5788 3.8089 3.8089 4.1959 4.1959 4.7448 4.7448 4.9249 4.9249 6.2237 6.2237 7.0685 7.0685 7.7518 7.7518 8.8756 8.8756 10.3143 10.3143 10.9470 10.9470 k = 0.6033 0.1747-0.5462 ( 4857 PWs) bands (ev): -17.1781 -17.1781 -17.1731 -17.1731 -14.1967 -14.1967 -14.1908 -14.1908 -14.1863 -14.1863 -4.9673 -4.9673 -4.8775 -4.8775 -4.3567 -4.3567 -3.5641 -3.5641 -2.8292 -2.8292 -2.7226 -2.7226 -2.6732 -2.6732 -1.8857 -1.8857 1.5959 1.5959 3.8544 3.8544 4.2602 4.2602 4.7662 4.7662 4.9627 4.9627 6.2486 6.2486 7.1039 7.1039 7.7393 7.7393 8.8790 8.8790 10.3277 10.3277 10.9869 10.9869 k = 0.5992 0.1735-0.5208 ( 4849 PWs) bands (ev): -17.1782 -17.1782 -17.1731 -17.1731 -14.1967 -14.1967 -14.1908 -14.1908 -14.1864 -14.1864 -4.9675 -4.9675 -4.8777 -4.8777 -4.4002 -4.4002 -3.5898 -3.5898 -2.8218 -2.8218 -2.7227 -2.7227 -2.6742 -2.6742 -1.8505 -1.8505 1.6134 1.6134 3.8942 3.8942 4.3165 4.3165 4.8120 4.8120 5.0050 5.0050 6.2732 6.2732 7.1394 7.1394 7.7267 7.7267 8.8828 8.8828 10.3102 10.3102 11.0259 11.0259 k = 0.5951 0.1723-0.4954 ( 4842 PWs) bands (ev): -17.1782 -17.1782 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1866 -14.1866 -4.9678 -4.9678 -4.8779 -4.8779 -4.4425 -4.4425 -3.6160 -3.6160 -2.8151 -2.8151 -2.7228 -2.7228 -2.6753 -2.6753 -1.8156 -1.8156 1.6309 1.6309 3.9302 3.9302 4.3629 4.3629 4.8806 4.8806 5.0533 5.0533 6.2971 6.2971 7.1745 7.1745 7.7144 7.7144 8.8870 8.8870 10.2610 10.2610 11.0614 11.0614 k = 0.5909 0.1711-0.4700 ( 4846 PWs) bands (ev): -17.1783 -17.1783 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1867 -14.1867 -4.9683 -4.9683 -4.8781 -4.8781 -4.4836 -4.4836 -3.6425 -3.6425 -2.8091 -2.8091 -2.7230 -2.7230 -2.6764 -2.6764 -1.7813 -1.7813 1.6483 1.6483 3.9642 3.9642 4.4020 4.4020 4.9634 4.9634 5.1114 5.1114 6.3200 6.3200 7.2084 7.2084 7.7028 7.7028 8.8916 8.8916 10.1836 10.1836 11.0900 11.0900 k = 0.5868 0.1699-0.4447 ( 4855 PWs) bands (ev): -17.1784 -17.1784 -17.1731 -17.1731 -14.1967 -14.1967 -14.1907 -14.1907 -14.1868 -14.1868 -4.9689 -4.9689 -4.8784 -4.8784 -4.5232 -4.5232 -3.6690 -3.6690 -2.8036 -2.8036 -2.7232 -2.7232 -2.6775 -2.6775 -1.7481 -1.7481 1.6652 1.6652 3.9976 3.9976 4.4382 4.4382 5.0468 5.0468 5.1869 5.1869 6.3417 6.3417 7.2403 7.2403 7.6925 7.6925 8.8969 8.8969 10.0837 10.0837 11.1078 11.1078 k = 0.5827 0.1687-0.4193 ( 4855 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1968 -14.1968 -14.1906 -14.1906 -14.1870 -14.1870 -4.9698 -4.9698 -4.8786 -4.8786 -4.5612 -4.5612 -3.6954 -3.6954 -2.7985 -2.7985 -2.7233 -2.7233 -2.6786 -2.6786 -1.7161 -1.7161 1.6812 1.6812 4.0316 4.0316 4.4749 4.4749 5.1195 5.1195 5.2858 5.2858 6.3619 6.3619 7.2688 7.2688 7.6846 7.6846 8.9029 8.9029 9.9673 9.9673 11.1117 11.1117 k = 0.5785 0.1675-0.3939 ( 4850 PWs) bands (ev): -17.1785 -17.1785 -17.1731 -17.1731 -14.1968 -14.1968 -14.1906 -14.1906 -14.1871 -14.1871 -4.9710 -4.9710 -4.8788 -4.8788 -4.5975 -4.5975 -3.7216 -3.7216 -2.7937 -2.7937 -2.7235 -2.7235 -2.6797 -2.6797 -1.6857 -1.6857 1.6962 1.6962 4.0675 4.0675 4.5142 4.5142 5.1828 5.1828 5.4031 5.4031 6.3803 6.3803 7.2924 7.2924 7.6804 7.6804 8.9099 8.9099 9.8394 9.8394 11.1003 11.1003 k = 0.5744 0.1663-0.3685 ( 4848 PWs) bands (ev): -17.1786 -17.1786 -17.1731 -17.1731 -14.1969 -14.1969 -14.1905 -14.1905 -14.1872 -14.1872 -4.9724 -4.9724 -4.8791 -4.8791 -4.6320 -4.6320 -3.7472 -3.7472 -2.7891 -2.7891 -2.7236 -2.7236 -2.6808 -2.6808 -1.6571 -1.6571 1.7099 1.7099 4.1061 4.1061 4.5571 4.5571 5.2421 5.2421 5.5303 5.5303 6.3967 6.3967 7.3094 7.3094 7.6812 7.6812 8.9179 8.9179 9.7042 9.7042 11.0742 11.0742 k = 0.5703 0.1651-0.3432 ( 4850 PWs) bands (ev): -17.1787 -17.1787 -17.1731 -17.1731 -14.1970 -14.1970 -14.1905 -14.1905 -14.1873 -14.1873 -4.9743 -4.9743 -4.8793 -4.8793 -4.6644 -4.6644 -3.7723 -3.7723 -2.7848 -2.7848 -2.7236 -2.7236 -2.6818 -2.6818 -1.6303 -1.6303 1.7220 1.7220 4.1484 4.1484 4.6037 4.6037 5.3005 5.3005 5.6619 5.6619 6.4111 6.4111 7.3183 7.3183 7.6882 7.6882 8.9272 8.9272 9.5652 9.5652 11.0354 11.0354 k = 0.5661 0.1639-0.3178 ( 4852 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1970 -14.1970 -14.1904 -14.1904 -14.1874 -14.1874 -4.9767 -4.9767 -4.8795 -4.8795 -4.6946 -4.6946 -3.7966 -3.7966 -2.7807 -2.7807 -2.7235 -2.7235 -2.6828 -2.6828 -1.6055 -1.6055 1.7326 1.7326 4.1950 4.1950 4.6541 4.6541 5.3593 5.3593 5.7941 5.7941 6.4235 6.4235 7.3187 7.3187 7.7014 7.7014 8.9377 8.9377 9.4259 9.4259 10.9863 10.9863 k = 0.5620 0.1627-0.2924 ( 4856 PWs) bands (ev): -17.1788 -17.1788 -17.1731 -17.1731 -14.1971 -14.1971 -14.1903 -14.1903 -14.1875 -14.1875 -4.9797 -4.9797 -4.8798 -4.8798 -4.7226 -4.7226 -3.8200 -3.8200 -2.7768 -2.7768 -2.7234 -2.7234 -2.6838 -2.6838 -1.5826 -1.5826 1.7416 1.7416 4.2463 4.2463 4.7081 4.7081 5.4191 5.4191 5.9235 5.9235 6.4345 6.4345 7.3110 7.3110 7.7197 7.7197 8.9486 8.9486 9.2901 9.2901 10.9291 10.9291 k = 0.5579 0.1615-0.2670 ( 4860 PWs) bands (ev): -17.1789 -17.1789 -17.1730 -17.1730 -14.1972 -14.1972 -14.1902 -14.1902 -14.1876 -14.1876 -4.9832 -4.9832 -4.8800 -4.8800 -4.7482 -4.7482 -3.8424 -3.8424 -2.7731 -2.7731 -2.7231 -2.7231 -2.6847 -2.6847 -1.5617 -1.5617 1.7488 1.7488 4.3023 4.3023 4.7654 4.7654 5.4800 5.4800 6.0463 6.0463 6.4456 6.4456 7.2965 7.2965 7.7407 7.7407 8.9570 8.9570 9.1644 9.1644 10.8654 10.8654 k = 0.5537 0.1604-0.2416 ( 4868 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1974 -14.1974 -14.1902 -14.1902 -14.1877 -14.1877 -4.9875 -4.9875 -4.8803 -4.8803 -4.7712 -4.7712 -3.8636 -3.8636 -2.7697 -2.7697 -2.7228 -2.7228 -2.6856 -2.6856 -1.5427 -1.5427 1.7546 1.7546 4.3627 4.3627 4.8257 4.8257 5.5421 5.5421 6.1562 6.1562 6.4602 6.4602 7.2771 7.2771 7.7614 7.7614 8.9460 8.9460 9.0699 9.0699 10.7968 10.7968 k = 0.5496 0.1592-0.2163 ( 4860 PWs) bands (ev): -17.1790 -17.1790 -17.1730 -17.1730 -14.1975 -14.1975 -14.1901 -14.1901 -14.1878 -14.1878 -4.9925 -4.9925 -4.8806 -4.8806 -4.7915 -4.7915 -3.8837 -3.8837 -2.7666 -2.7666 -2.7222 -2.7222 -2.6864 -2.6864 -1.5257 -1.5257 1.7588 1.7588 4.4273 4.4273 4.8889 4.8889 5.6053 5.6053 6.2432 6.2432 6.4854 6.4854 7.2546 7.2546 7.7776 7.7776 8.8821 8.8821 9.0453 9.0453 10.7241 10.7241 k = 0.5455 0.1580-0.1909 ( 4864 PWs) bands (ev): -17.1791 -17.1791 -17.1730 -17.1730 -14.1976 -14.1976 -14.1900 -14.1900 -14.1879 -14.1879 -4.9982 -4.9982 -4.8809 -4.8809 -4.8092 -4.8092 -3.9025 -3.9025 -2.7637 -2.7637 -2.7216 -2.7216 -2.6871 -2.6871 -1.5104 -1.5104 1.7617 1.7617 4.4951 4.4951 4.9548 4.9548 5.6695 5.6695 6.2970 6.2970 6.5281 6.5281 7.2310 7.2310 7.7849 7.7849 8.8042 8.8042 9.0581 9.0581 10.6482 10.6482 k = 0.5413 0.1568-0.1655 ( 4871 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1977 -14.1977 -14.1899 -14.1899 -14.1879 -14.1879 -5.0046 -5.0046 -4.8812 -4.8812 -4.8243 -4.8243 -3.9199 -3.9199 -2.7612 -2.7612 -2.7208 -2.7208 -2.6878 -2.6878 -1.4970 -1.4970 1.7636 1.7636 4.5653 4.5653 5.0231 5.0231 5.7345 5.7345 6.3199 6.3199 6.5819 6.5819 7.2079 7.2079 7.7791 7.7791 8.7465 8.7465 9.0809 9.0809 10.5694 10.5694 k = 0.5372 0.1556-0.1401 ( 4882 PWs) bands (ev): -17.1792 -17.1792 -17.1730 -17.1730 -14.1978 -14.1978 -14.1898 -14.1898 -14.1880 -14.1880 -5.0115 -5.0115 -4.8816 -4.8816 -4.8369 -4.8369 -3.9358 -3.9358 -2.7590 -2.7590 -2.7199 -2.7199 -2.6884 -2.6884 -1.4852 -1.4852 1.7644 1.7644 4.6366 4.6366 5.0936 5.0936 5.7998 5.7998 6.3250 6.3250 6.6299 6.6299 7.1858 7.1858 7.7588 7.7588 8.7194 8.7194 9.1082 9.1082 10.4882 10.4882 k = 0.5331 0.1544-0.1148 ( 4875 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1979 -14.1979 -14.1897 -14.1897 -14.1880 -14.1880 -5.0187 -5.0187 -4.8820 -4.8820 -4.8471 -4.8471 -3.9502 -3.9502 -2.7572 -2.7572 -2.7188 -2.7188 -2.6890 -2.6890 -1.4749 -1.4749 1.7646 1.7646 4.7075 4.7075 5.1659 5.1659 5.8650 5.8650 6.3220 6.3220 6.6602 6.6602 7.1630 7.1630 7.7283 7.7283 8.7254 8.7254 9.1381 9.1381 10.4045 10.4045 k = 0.5289 0.1532-0.0894 ( 4875 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1897 -14.1897 -14.1881 -14.1881 -5.0258 -5.0258 -4.8825 -4.8825 -4.8551 -4.8551 -3.9630 -3.9630 -2.7557 -2.7557 -2.7178 -2.7178 -2.6895 -2.6895 -1.4661 -1.4661 1.7642 1.7642 4.7764 4.7764 5.2394 5.2394 5.9291 5.9291 6.3168 6.3168 6.6685 6.6685 7.1338 7.1338 7.6968 7.6968 8.7614 8.7614 9.1695 9.1695 10.3182 10.3182 k = 0.5248 0.1520-0.0640 ( 4872 PWs) bands (ev): -17.1793 -17.1793 -17.1730 -17.1730 -14.1980 -14.1980 -14.1896 -14.1896 -14.1881 -14.1881 -5.0327 -5.0327 -4.8832 -4.8832 -4.8614 -4.8614 -3.9742 -3.9742 -2.7544 -2.7544 -2.7167 -2.7167 -2.6899 -2.6899 -1.4588 -1.4588 1.7634 1.7634 4.8416 4.8416 5.3130 5.3130 5.9908 5.9908 6.3139 6.3139 6.6564 6.6564 7.0910 7.0910 7.6741 7.6741 8.8216 8.8216 9.2016 9.2016 10.2293 10.2293 k = 0.5207 0.1508-0.0386 ( 4876 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1981 -14.1981 -14.1896 -14.1896 -14.1882 -14.1882 -5.0389 -5.0389 -4.8840 -4.8840 -4.8659 -4.8659 -3.9838 -3.9838 -2.7534 -2.7534 -2.7157 -2.7157 -2.6903 -2.6903 -1.4527 -1.4527 1.7625 1.7625 4.9011 4.9011 5.3848 5.3848 6.0477 6.0477 6.3179 6.3179 6.6284 6.6284 7.0311 7.0311 7.6645 7.6645 8.8992 8.8992 9.2336 9.2336 10.1376 10.1376 k = 0.5165 0.1496-0.0132 ( 4871 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.0444 -5.0444 -4.8849 -4.8849 -4.8692 -4.8692 -3.9916 -3.9916 -2.7527 -2.7527 -2.7147 -2.7147 -2.6906 -2.6906 -1.4478 -1.4478 1.7615 1.7615 4.9533 4.9533 5.4520 5.4520 6.0969 6.0969 6.3341 6.3341 6.5895 6.5895 6.9574 6.9574 7.6658 7.6658 8.9873 8.9873 9.2650 9.2650 10.0437 10.0437 k = 0.5124 0.1484 0.0121 ( 4865 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1982 -14.1982 -14.1895 -14.1895 -14.1882 -14.1882 -5.0488 -5.0488 -4.8857 -4.8857 -4.8713 -4.8713 -3.9977 -3.9977 -2.7521 -2.7521 -2.7140 -2.7140 -2.6908 -2.6908 -1.4441 -1.4441 1.7607 1.7607 4.9962 4.9962 5.5110 5.5110 6.1366 6.1366 6.3654 6.3654 6.5450 6.5450 6.8767 6.8767 7.6730 7.6730 9.0774 9.0774 9.2965 9.2965 9.9491 9.9491 k = 0.5083 0.1472 0.0375 ( 4864 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1895 -14.1895 -14.1882 -14.1882 -5.0521 -5.0521 -4.8865 -4.8865 -4.8726 -4.8726 -4.0021 -4.0021 -2.7518 -2.7518 -2.7134 -2.7134 -2.6910 -2.6910 -1.4415 -1.4415 1.7599 1.7599 5.0282 5.0282 5.5574 5.5574 6.1675 6.1675 6.4089 6.4089 6.5009 6.5009 6.7974 6.7974 7.6812 7.6812 9.1565 9.1565 9.3311 9.3311 9.8587 9.8587 k = 0.5041 0.1460 0.0629 ( 4869 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0541 -5.0541 -4.8870 -4.8870 -4.8733 -4.8733 -4.0048 -4.0048 -2.7515 -2.7515 -2.7130 -2.7130 -2.6911 -2.6911 -1.4399 -1.4399 1.7595 1.7595 5.0481 5.0481 5.5871 5.5871 6.1902 6.1902 6.4524 6.4524 6.4674 6.4674 6.7314 6.7314 7.6872 7.6872 9.2081 9.2081 9.3692 9.3692 9.7845 9.7845 k = 0.5000 0.1448 0.0883 ( 4874 PWs) bands (ev): -17.1794 -17.1794 -17.1730 -17.1730 -14.1983 -14.1983 -14.1894 -14.1894 -14.1882 -14.1882 -5.0547 -5.0547 -4.8872 -4.8872 -4.8735 -4.8735 -4.0057 -4.0057 -2.7515 -2.7515 -2.7129 -2.7129 -2.6911 -2.6911 -1.4394 -1.4394 1.7593 1.7593 5.0548 5.0548 5.5973 5.5973 6.1992 6.1992 6.4507 6.4507 6.4773 6.4773 6.7024 6.7024 7.6894 7.6894 9.2248 9.2248 9.3895 9.3895 9.7530 9.7530 k = 0.5000-0.7909-0.4822 ( 4848 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9622 -4.9622 -4.8754 -4.8754 -3.8055 -3.8055 -3.5622 -3.5622 -2.7305 -2.7305 -2.6666 -2.6666 -2.6030 -2.6030 -2.3914 -2.3914 1.2736 1.2736 3.4960 3.4960 4.2050 4.2050 4.4822 4.4822 5.0668 5.0668 5.4029 5.4029 5.6423 5.6423 8.9635 8.9635 10.1136 10.1136 10.6004 10.6004 10.8605 10.8605 k = 0.5224-0.7806-0.4759 ( 4851 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9622 -4.9622 -4.8754 -4.8754 -3.8057 -3.8057 -3.5613 -3.5613 -2.7306 -2.7306 -2.6667 -2.6667 -2.6076 -2.6076 -2.3875 -2.3875 1.2750 1.2750 3.4872 3.4872 4.2115 4.2115 4.4804 4.4804 5.0696 5.0696 5.3905 5.3905 5.6629 5.6629 8.9535 8.9535 10.0955 10.0955 10.6126 10.6126 10.8440 10.8440 k = 0.5449-0.7702-0.4696 ( 4863 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9623 -4.9623 -4.8754 -4.8754 -3.8061 -3.8061 -3.5584 -3.5584 -2.7311 -2.7311 -2.6672 -2.6672 -2.6202 -2.6202 -2.3766 -2.3766 1.2793 1.2793 3.4623 3.4623 4.2272 4.2272 4.4782 4.4782 5.0752 5.0752 5.3658 5.3658 5.7138 5.7138 8.9242 8.9242 10.0452 10.0452 10.6452 10.6452 10.7967 10.7967 k = 0.5673-0.7599-0.4633 ( 4865 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9625 -4.9625 -4.8755 -4.8755 -3.8068 -3.8068 -3.5538 -3.5538 -2.7320 -2.7320 -2.6686 -2.6686 -2.6379 -2.6379 -2.3610 -2.3610 1.2863 1.2863 3.4247 3.4247 4.2414 4.2414 4.4849 4.4849 5.0756 5.0756 5.3492 5.3492 5.7808 5.7808 8.8773 8.8773 9.9715 9.9715 10.6859 10.6859 10.7283 10.7283 k = 0.5898-0.7496-0.4570 ( 4858 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9627 -4.9627 -4.8755 -4.8755 -3.8077 -3.8077 -3.5474 -3.5474 -2.7339 -2.7339 -2.6745 -2.6745 -2.6545 -2.6545 -2.3426 -2.3426 1.2959 1.2959 3.3785 3.3785 4.2413 4.2413 4.5116 4.5116 5.0623 5.0623 5.3538 5.3538 5.8565 5.8565 8.8153 8.8153 9.8817 9.8817 10.6252 10.6252 10.7472 10.7472 k = 0.6122-0.7392-0.4507 ( 4865 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9630 -4.9630 -4.8755 -4.8755 -3.8088 -3.8088 -3.5395 -3.5395 -2.7384 -2.7384 -2.6908 -2.6908 -2.6609 -2.6609 -2.3230 -2.3230 1.3079 1.3079 3.3270 3.3270 4.2231 4.2231 4.5613 4.5613 5.0345 5.0345 5.3816 5.3816 5.9375 5.9375 8.7411 8.7411 9.7814 9.7814 10.5179 10.5179 10.7975 10.7975 k = 0.6346-0.7289-0.4444 ( 4863 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9633 -4.9633 -4.8755 -4.8755 -3.8101 -3.8101 -3.5301 -3.5301 -2.7493 -2.7493 -2.7073 -2.7073 -2.6624 -2.6624 -2.3031 -2.3031 1.3222 1.3222 3.2727 3.2727 4.1916 4.1916 4.6277 4.6277 4.9983 4.9983 5.4266 5.4266 6.0223 6.0223 8.6572 8.6572 9.6743 9.6743 10.3993 10.3993 10.8413 10.8413 k = 0.6571-0.7185-0.4381 ( 4862 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9636 -4.9636 -4.8755 -4.8755 -3.8114 -3.8114 -3.5196 -3.5196 -2.7697 -2.7697 -2.7161 -2.7161 -2.6628 -2.6628 -2.2835 -2.2835 1.3383 1.3383 3.2173 3.2173 4.1529 4.1529 4.7037 4.7037 4.9601 4.9601 5.4827 5.4827 6.1098 6.1098 8.5659 8.5659 9.5630 9.5630 10.2734 10.2734 10.8708 10.8708 k = 0.6795-0.7082-0.4317 ( 4858 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9640 -4.9640 -4.8755 -4.8755 -3.8129 -3.8129 -3.5082 -3.5082 -2.7958 -2.7958 -2.7198 -2.7198 -2.6629 -2.6629 -2.2645 -2.2645 1.3561 1.3561 3.1619 3.1619 4.1107 4.1107 4.7801 4.7801 4.9285 4.9285 5.5460 5.5460 6.1994 6.1994 8.4691 8.4691 9.4496 9.4496 10.1426 10.1426 10.8806 10.8806 k = 0.7020-0.6978-0.4254 ( 4861 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9643 -4.9643 -4.8756 -4.8756 -3.8144 -3.8144 -3.4962 -3.4962 -2.8236 -2.8236 -2.7215 -2.7215 -2.6629 -2.6629 -2.2465 -2.2465 1.3750 1.3750 3.1073 3.1073 4.0673 4.0673 4.8249 4.8249 4.9348 4.9348 5.6141 5.6141 6.2903 6.2903 8.3686 8.3686 9.3357 9.3357 10.0091 10.0091 10.8708 10.8708 k = 0.7244-0.6875-0.4191 ( 4864 PWs) bands (ev): -17.1775 -17.1775 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9647 -4.9647 -4.8756 -4.8756 -3.8159 -3.8159 -3.4838 -3.4838 -2.8513 -2.8513 -2.7225 -2.7225 -2.6627 -2.6627 -2.2296 -2.2296 1.3948 1.3948 3.0543 3.0543 4.0243 4.0243 4.8109 4.8109 5.0056 5.0056 5.6856 5.6856 6.3820 6.3820 8.2656 8.2656 9.2228 9.2228 9.8743 9.8743 10.8465 10.8465 k = 0.7468-0.6772-0.4128 ( 4869 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9650 -4.9650 -4.8756 -4.8756 -3.8175 -3.8175 -3.4717 -3.4717 -2.8779 -2.8779 -2.7230 -2.7230 -2.6625 -2.6625 -2.2140 -2.2140 1.4149 1.4149 3.0031 3.0031 3.9829 3.9829 4.7818 4.7818 5.0966 5.0966 5.7593 5.7593 6.4738 6.4738 8.1613 8.1613 9.1119 9.1119 9.7398 9.7398 10.8142 10.8142 k = 0.7693-0.6668-0.4065 ( 4868 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9652 -4.9652 -4.8756 -4.8756 -3.8192 -3.8192 -3.4601 -3.4601 -2.9025 -2.9025 -2.7233 -2.7233 -2.6623 -2.6623 -2.1997 -2.1997 1.4349 1.4349 2.9541 2.9541 3.9440 3.9440 4.7522 4.7522 5.1922 5.1922 5.8346 5.8346 6.5650 6.5650 8.0569 8.0569 9.0043 9.0043 9.6068 9.6068 10.7791 10.7791 k = 0.7917-0.6565-0.4002 ( 4862 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9654 -4.9654 -4.8756 -4.8756 -3.8211 -3.8211 -3.4498 -3.4498 -2.9244 -2.9244 -2.7235 -2.7235 -2.6621 -2.6621 -2.1869 -2.1869 1.4544 1.4544 2.9076 2.9076 3.9084 3.9084 4.7251 4.7251 5.2886 5.2886 5.9107 5.9107 6.6546 6.6546 7.9535 7.9535 8.9011 8.9011 9.4768 9.4768 10.7445 10.7445 k = 0.8142-0.6461-0.3939 ( 4860 PWs) bands (ev): -17.1776 -17.1776 -17.1731 -17.1731 -14.1973 -14.1973 -14.1906 -14.1906 -14.1849 -14.1849 -4.9655 -4.9655 -4.8757 -4.8757 -3.8231 -3.8231 -3.4412 -3.4412 -2.9427 -2.9427 -2.7237 -2.7237 -2.6619 -2.6619 -2.1757 -2.1757 1.4728 1.4728 2.8638 2.8638 3.8768 3.8768 4.7012 4.7012 5.3838 5.3838 5.9871 5.9871 6.7413 6.7413 7.8522 7.8522 8.8033 8.8033 9.3514 9.3514 10.7126 10.7126 Writing output data file TlBiTe2.save init_run : 0.81s CPU 1.07s WALL ( 1 calls) electrons : 182.13s CPU 183.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 182.12s CPU 183.94s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.15s CPU 0.29s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 271 calls) cegterg : 164.98s CPU 166.40s WALL ( 304 calls) Called by sum_band: Called by *egterg: h_psi : 132.03s CPU 133.16s WALL ( 5566 calls) s_psi : 3.54s CPU 3.75s WALL ( 5566 calls) g_psi : 0.17s CPU 0.19s WALL ( 4991 calls) cdiaghg : 31.98s CPU 32.32s WALL ( 5262 calls) cegterg:over : 4.55s CPU 4.36s WALL ( 4991 calls) cegterg:upda : 3.90s CPU 3.98s WALL ( 4991 calls) cegterg:last : 1.93s CPU 1.95s WALL ( 846 calls) cdiaghg:chol : 1.90s CPU 1.87s WALL ( 5262 calls) cdiaghg:inve : 1.20s CPU 1.18s WALL ( 5262 calls) cdiaghg:para : 1.76s CPU 1.84s WALL ( 10524 calls) Called by h_psi: h_psi:vloc : 123.75s CPU 124.82s WALL ( 5566 calls) h_psi:vnl : 8.13s CPU 8.18s WALL ( 5566 calls) add_vuspsi : 4.17s CPU 4.26s WALL ( 5566 calls) General routines calbec : 3.94s CPU 3.90s WALL ( 5566 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 110.08s CPU 111.33s WALL ( 531188 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.19s WALL ( 542 calls) Parallel routines fft_scatter : 27.57s CPU 28.02s WALL ( 531211 calls) PWSCF : 3m17.41s CPU 3m35.27s WALL This run was terminated on: 14:38:32 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=