Program PWSCF v.5.1.1 starts on 19Jul2015 at 22:56:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BC5.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 19 5 1014 380 60 Max 38 20 6 1017 395 65 Sum 1821 955 283 48747 18667 3031 bravais-lattice index = 14 lattice parameter (alat) = 8.4187 a.u. unit-cell volume = 488.3668 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.418729 celldm(2)= 1.000898 celldm(3)= 1.001571 celldm(4)= -0.498336 celldm(5)= -0.159709 celldm(6)= -0.177085 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.177244 0.985079 0.000000 ) a(3) = ( -0.159960 -0.535916 0.830874 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.179928 0.308574 ) b(2) = ( 0.000000 1.015147 0.654772 ) b(3) = ( 0.000000 0.000000 1.203551 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.5075734 -0.3273859), wk = 0.0030864 k( 2) = ( 0.0000000 -0.4957693 -0.3197723), wk = 0.0030864 k( 3) = ( 0.0000000 -0.4839653 -0.3121586), wk = 0.0030864 k( 4) = ( 0.0000000 -0.4721613 -0.3045450), wk = 0.0030864 k( 5) = ( 0.0000000 -0.4603572 -0.2969314), wk = 0.0030864 k( 6) = ( 0.0000000 -0.4485532 -0.2893178), wk = 0.0030864 k( 7) = ( 0.0000000 -0.4367492 -0.2817041), wk = 0.0030864 k( 8) = ( 0.0000000 -0.4249451 -0.2740905), wk = 0.0030864 k( 9) = ( 0.0000000 -0.4131411 -0.2664769), wk = 0.0030864 k( 10) = ( 0.0000000 -0.4013371 -0.2588633), wk = 0.0030864 k( 11) = ( 0.0000000 -0.3895330 -0.2512496), wk = 0.0030864 k( 12) = ( 0.0000000 -0.3777290 -0.2436360), wk = 0.0030864 k( 13) = ( 0.0000000 -0.3659250 -0.2360224), wk = 0.0030864 k( 14) = ( 0.0000000 -0.3541209 -0.2284088), wk = 0.0030864 k( 15) = ( 0.0000000 -0.3423169 -0.2207951), wk = 0.0030864 k( 16) = ( 0.0000000 -0.3305129 -0.2131815), wk = 0.0030864 k( 17) = ( 0.0000000 -0.3187089 -0.2055679), wk = 0.0030864 k( 18) = ( 0.0000000 -0.3069048 -0.1979543), wk = 0.0030864 k( 19) = ( 0.0000000 -0.2951008 -0.1903406), wk = 0.0030864 k( 20) = ( 0.0000000 -0.2832968 -0.1827270), wk = 0.0030864 k( 21) = ( 0.0000000 -0.2714927 -0.1751134), wk = 0.0030864 k( 22) = ( 0.0000000 -0.2596887 -0.1674998), wk = 0.0030864 k( 23) = ( 0.0000000 -0.2478847 -0.1598861), wk = 0.0030864 k( 24) = ( 0.0000000 -0.2360806 -0.1522725), wk = 0.0030864 k( 25) = ( 0.0000000 -0.2242766 -0.1446589), wk = 0.0030864 k( 26) = ( 0.0000000 -0.2124726 -0.1370453), wk = 0.0030864 k( 27) = ( 0.0000000 -0.2006685 -0.1294316), wk = 0.0030864 k( 28) = ( 0.0000000 -0.1888645 -0.1218180), wk = 0.0030864 k( 29) = ( 0.0000000 -0.1770605 -0.1142044), wk = 0.0030864 k( 30) = ( 0.0000000 -0.1652564 -0.1065908), wk = 0.0030864 k( 31) = ( 0.0000000 -0.1534524 -0.0989771), wk = 0.0030864 k( 32) = ( 0.0000000 -0.1416484 -0.0913635), wk = 0.0030864 k( 33) = ( 0.0000000 -0.1298444 -0.0837499), wk = 0.0030864 k( 34) = ( 0.0000000 -0.1180403 -0.0761363), wk = 0.0030864 k( 35) = ( 0.0000000 -0.1062363 -0.0685226), wk = 0.0030864 k( 36) = ( 0.0000000 -0.0944323 -0.0609090), wk = 0.0030864 k( 37) = ( 0.0000000 -0.0826282 -0.0532954), wk = 0.0030864 k( 38) = ( 0.0000000 -0.0708242 -0.0456818), wk = 0.0030864 k( 39) = ( 0.0000000 -0.0590202 -0.0380681), wk = 0.0030864 k( 40) = ( 0.0000000 -0.0472161 -0.0304545), wk = 0.0030864 k( 41) = ( 0.0000000 -0.0354121 -0.0228409), wk = 0.0030864 k( 42) = ( 0.0000000 -0.0236081 -0.0152272), wk = 0.0030864 k( 43) = ( 0.0000000 -0.0118040 -0.0076136), wk = 0.0030864 k( 44) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 46) = ( 0.0131579 0.0023675 0.0040602), wk = 0.0030864 k( 47) = ( 0.0263158 0.0047350 0.0081204), wk = 0.0030864 k( 48) = ( 0.0394737 0.0071024 0.0121806), wk = 0.0030864 k( 49) = ( 0.0526316 0.0094699 0.0162407), wk = 0.0030864 k( 50) = ( 0.0657895 0.0118374 0.0203009), wk = 0.0030864 k( 51) = ( 0.0789474 0.0142049 0.0243611), wk = 0.0030864 k( 52) = ( 0.0921053 0.0165724 0.0284213), wk = 0.0030864 k( 53) = ( 0.1052632 0.0189398 0.0324815), wk = 0.0030864 k( 54) = ( 0.1184210 0.0213073 0.0365417), wk = 0.0030864 k( 55) = ( 0.1315790 0.0236748 0.0406019), wk = 0.0030864 k( 56) = ( 0.1447368 0.0260423 0.0446620), wk = 0.0030864 k( 57) = ( 0.1578947 0.0284097 0.0487222), wk = 0.0030864 k( 58) = ( 0.1710526 0.0307772 0.0527824), wk = 0.0030864 k( 59) = ( 0.1842105 0.0331447 0.0568426), wk = 0.0030864 k( 60) = ( 0.1973684 0.0355122 0.0609028), wk = 0.0030864 k( 61) = ( 0.2105263 0.0378797 0.0649630), wk = 0.0030864 k( 62) = ( 0.2236842 0.0402471 0.0690232), wk = 0.0030864 k( 63) = ( 0.2368421 0.0426146 0.0730833), wk = 0.0030864 k( 64) = ( 0.2500000 0.0449821 0.0771435), wk = 0.0030864 k( 65) = ( 0.2631579 0.0473496 0.0812037), wk = 0.0030864 k( 66) = ( 0.2763158 0.0497171 0.0852639), wk = 0.0030864 k( 67) = ( 0.2894737 0.0520845 0.0893241), wk = 0.0030864 k( 68) = ( 0.3026316 0.0544520 0.0933843), wk = 0.0030864 k( 69) = ( 0.3157895 0.0568195 0.0974444), wk = 0.0030864 k( 70) = ( 0.3289474 0.0591870 0.1015046), wk = 0.0030864 k( 71) = ( 0.3421053 0.0615545 0.1055648), wk = 0.0030864 k( 72) = ( 0.3552632 0.0639219 0.1096250), wk = 0.0030864 k( 73) = ( 0.3684211 0.0662894 0.1136852), wk = 0.0030864 k( 74) = ( 0.3815789 0.0686569 0.1177454), wk = 0.0030864 k( 75) = ( 0.3947368 0.0710244 0.1218056), wk = 0.0030864 k( 76) = ( 0.4078947 0.0733918 0.1258657), wk = 0.0030864 k( 77) = ( 0.4210526 0.0757593 0.1299259), wk = 0.0030864 k( 78) = ( 0.4342105 0.0781268 0.1339861), wk = 0.0030864 k( 79) = ( 0.4473684 0.0804943 0.1380463), wk = 0.0030864 k( 80) = ( 0.4605263 0.0828618 0.1421065), wk = 0.0030864 k( 81) = ( 0.4736842 0.0852292 0.1461667), wk = 0.0030864 k( 82) = ( 0.4868421 0.0875967 0.1502269), wk = 0.0030864 k( 83) = ( 0.5000000 0.0899642 0.1542870), wk = 0.0030864 k( 84) = ( 0.5000000 -0.4176092 -0.1730988), wk = 0.0030864 k( 85) = ( 0.4895833 -0.4089090 -0.1694926), wk = 0.0030864 k( 86) = ( 0.4791667 -0.4002088 -0.1658864), wk = 0.0030864 k( 87) = ( 0.4687500 -0.3915086 -0.1622802), wk = 0.0030864 k( 88) = ( 0.4583333 -0.3828084 -0.1586739), wk = 0.0030864 k( 89) = ( 0.4479167 -0.3741082 -0.1550677), wk = 0.0030864 k( 90) = ( 0.4375000 -0.3654080 -0.1514615), wk = 0.0030864 k( 91) = ( 0.4270833 -0.3567078 -0.1478553), wk = 0.0030864 k( 92) = ( 0.4166667 -0.3480076 -0.1442490), wk = 0.0030864 k( 93) = ( 0.4062500 -0.3393074 -0.1406428), wk = 0.0030864 k( 94) = ( 0.3958333 -0.3306072 -0.1370366), wk = 0.0030864 k( 95) = ( 0.3854167 -0.3219071 -0.1334304), wk = 0.0030864 k( 96) = ( 0.3750000 -0.3132069 -0.1298241), wk = 0.0030864 k( 97) = ( 0.3645833 -0.3045067 -0.1262179), wk = 0.0030864 k( 98) = ( 0.3541667 -0.2958065 -0.1226117), wk = 0.0030864 k( 99) = ( 0.3437500 -0.2871063 -0.1190055), wk = 0.0030864 k( 100) = ( 0.3333333 -0.2784061 -0.1153992), wk = 0.0030864 k( 101) = ( 0.3229167 -0.2697059 -0.1117930), wk = 0.0030864 k( 102) = ( 0.3125000 -0.2610057 -0.1081868), wk = 0.0030864 k( 103) = ( 0.3020833 -0.2523055 -0.1045806), wk = 0.0030864 k( 104) = ( 0.2916667 -0.2436053 -0.1009743), wk = 0.0030864 k( 105) = ( 0.2812500 -0.2349052 -0.0973681), wk = 0.0030864 k( 106) = ( 0.2708333 -0.2262050 -0.0937619), wk = 0.0030864 k( 107) = ( 0.2604167 -0.2175048 -0.0901556), wk = 0.0030864 k( 108) = ( 0.2500000 -0.2088046 -0.0865494), wk = 0.0030864 k( 109) = ( 0.2395833 -0.2001044 -0.0829432), wk = 0.0030864 k( 110) = ( 0.2291667 -0.1914042 -0.0793370), wk = 0.0030864 k( 111) = ( 0.2187500 -0.1827040 -0.0757307), wk = 0.0030864 k( 112) = ( 0.2083333 -0.1740038 -0.0721245), wk = 0.0030864 k( 113) = ( 0.1979167 -0.1653036 -0.0685183), wk = 0.0030864 k( 114) = ( 0.1875000 -0.1566034 -0.0649121), wk = 0.0030864 k( 115) = ( 0.1770833 -0.1479032 -0.0613058), wk = 0.0030864 k( 116) = ( 0.1666667 -0.1392031 -0.0576996), wk = 0.0030864 k( 117) = ( 0.1562500 -0.1305029 -0.0540934), wk = 0.0030864 k( 118) = ( 0.1458333 -0.1218027 -0.0504872), wk = 0.0030864 k( 119) = ( 0.1354167 -0.1131025 -0.0468809), wk = 0.0030864 k( 120) = ( 0.1250000 -0.1044023 -0.0432747), wk = 0.0030864 k( 121) = ( 0.1145833 -0.0957021 -0.0396685), wk = 0.0030864 k( 122) = ( 0.1041667 -0.0870019 -0.0360623), wk = 0.0030864 k( 123) = ( 0.0937500 -0.0783017 -0.0324560), wk = 0.0030864 k( 124) = ( 0.0833333 -0.0696015 -0.0288498), wk = 0.0030864 k( 125) = ( 0.0729167 -0.0609013 -0.0252436), wk = 0.0030864 k( 126) = ( 0.0625000 -0.0522011 -0.0216374), wk = 0.0030864 k( 127) = ( 0.0520833 -0.0435010 -0.0180311), wk = 0.0030864 k( 128) = ( 0.0416667 -0.0348008 -0.0144249), wk = 0.0030864 k( 129) = ( 0.0312500 -0.0261006 -0.0108187), wk = 0.0030864 k( 130) = ( 0.0208333 -0.0174004 -0.0072125), wk = 0.0030864 k( 131) = ( 0.0104167 -0.0087002 -0.0036062), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 134) = ( -0.0104167 -0.0018743 0.0093227), wk = 0.0030864 k( 135) = ( -0.0208333 -0.0037485 0.0186454), wk = 0.0030864 k( 136) = ( -0.0312500 -0.0056228 0.0279680), wk = 0.0030864 k( 137) = ( -0.0416667 -0.0074970 0.0372907), wk = 0.0030864 k( 138) = ( -0.0520833 -0.0093713 0.0466134), wk = 0.0030864 k( 139) = ( -0.0625000 -0.0112455 0.0559361), wk = 0.0030864 k( 140) = ( -0.0729167 -0.0131198 0.0652588), wk = 0.0030864 k( 141) = ( -0.0833333 -0.0149940 0.0745814), wk = 0.0030864 k( 142) = ( -0.0937500 -0.0168683 0.0839041), wk = 0.0030864 k( 143) = ( -0.1041667 -0.0187425 0.0932268), wk = 0.0030864 k( 144) = ( -0.1145833 -0.0206168 0.1025495), wk = 0.0030864 k( 145) = ( -0.1250000 -0.0224910 0.1118722), wk = 0.0030864 k( 146) = ( -0.1354167 -0.0243653 0.1211948), wk = 0.0030864 k( 147) = ( -0.1458333 -0.0262396 0.1305175), wk = 0.0030864 k( 148) = ( -0.1562500 -0.0281138 0.1398402), wk = 0.0030864 k( 149) = ( -0.1666667 -0.0299881 0.1491629), wk = 0.0030864 k( 150) = ( -0.1770833 -0.0318623 0.1584856), wk = 0.0030864 k( 151) = ( -0.1875000 -0.0337366 0.1678082), wk = 0.0030864 k( 152) = ( -0.1979167 -0.0356108 0.1771309), wk = 0.0030864 k( 153) = ( -0.2083333 -0.0374851 0.1864536), wk = 0.0030864 k( 154) = ( -0.2187500 -0.0393593 0.1957763), wk = 0.0030864 k( 155) = ( -0.2291667 -0.0412336 0.2050990), wk = 0.0030864 k( 156) = ( -0.2395833 -0.0431078 0.2144216), wk = 0.0030864 k( 157) = ( -0.2500000 -0.0449821 0.2237443), wk = 0.0030864 k( 158) = ( -0.2604167 -0.0468564 0.2330670), wk = 0.0030864 k( 159) = ( -0.2708333 -0.0487306 0.2423897), wk = 0.0030864 k( 160) = ( -0.2812500 -0.0506049 0.2517124), wk = 0.0030864 k( 161) = ( -0.2916667 -0.0524791 0.2610351), wk = 0.0030864 k( 162) = ( -0.3020833 -0.0543534 0.2703577), wk = 0.0030864 k( 163) = ( -0.3125000 -0.0562276 0.2796804), wk = 0.0030864 k( 164) = ( -0.3229167 -0.0581019 0.2890031), wk = 0.0030864 k( 165) = ( -0.3333333 -0.0599761 0.2983258), wk = 0.0030864 k( 166) = ( -0.3437500 -0.0618504 0.3076485), wk = 0.0030864 k( 167) = ( -0.3541667 -0.0637246 0.3169711), wk = 0.0030864 k( 168) = ( -0.3645833 -0.0655989 0.3262938), wk = 0.0030864 k( 169) = ( -0.3750000 -0.0674731 0.3356165), wk = 0.0030864 k( 170) = ( -0.3854167 -0.0693474 0.3449392), wk = 0.0030864 k( 171) = ( -0.3958333 -0.0712217 0.3542619), wk = 0.0030864 k( 172) = ( -0.4062500 -0.0730959 0.3635845), wk = 0.0030864 k( 173) = ( -0.4166667 -0.0749702 0.3729072), wk = 0.0030864 k( 174) = ( -0.4270833 -0.0768444 0.3822299), wk = 0.0030864 k( 175) = ( -0.4375000 -0.0787187 0.3915526), wk = 0.0030864 k( 176) = ( -0.4479167 -0.0805929 0.4008753), wk = 0.0030864 k( 177) = ( -0.4583333 -0.0824672 0.4101979), wk = 0.0030864 k( 178) = ( -0.4687500 -0.0843414 0.4195206), wk = 0.0030864 k( 179) = ( -0.4791667 -0.0862157 0.4288433), wk = 0.0030864 k( 180) = ( -0.4895833 -0.0880899 0.4381660), wk = 0.0030864 k( 181) = ( -0.5000000 -0.0899642 0.4474887), wk = 0.0030864 k( 182) = ( -0.5000000 -0.5975376 0.1201028), wk = 0.0030864 k( 183) = ( -0.4910714 -0.5868672 0.1179581), wk = 0.0030864 k( 184) = ( -0.4821429 -0.5761969 0.1158134), wk = 0.0030864 k( 185) = ( -0.4732143 -0.5655266 0.1136687), wk = 0.0030864 k( 186) = ( -0.4642857 -0.5548563 0.1115240), wk = 0.0030864 k( 187) = ( -0.4553571 -0.5441860 0.1093793), wk = 0.0030864 k( 188) = ( -0.4464286 -0.5335157 0.1072346), wk = 0.0030864 k( 189) = ( -0.4375000 -0.5228454 0.1050899), wk = 0.0030864 k( 190) = ( -0.4285714 -0.5121751 0.1029452), wk = 0.0030864 k( 191) = ( -0.4196429 -0.5015047 0.1008005), wk = 0.0030864 k( 192) = ( -0.4107143 -0.4908344 0.0986558), wk = 0.0030864 k( 193) = ( -0.4017857 -0.4801641 0.0965112), wk = 0.0030864 k( 194) = ( -0.3928571 -0.4694938 0.0943665), wk = 0.0030864 k( 195) = ( -0.3839286 -0.4588235 0.0922218), wk = 0.0030864 k( 196) = ( -0.3750000 -0.4481532 0.0900771), wk = 0.0030864 k( 197) = ( -0.3660714 -0.4374829 0.0879324), wk = 0.0030864 k( 198) = ( -0.3571429 -0.4268125 0.0857877), wk = 0.0030864 k( 199) = ( -0.3482143 -0.4161422 0.0836430), wk = 0.0030864 k( 200) = ( -0.3392857 -0.4054719 0.0814983), wk = 0.0030864 k( 201) = ( -0.3303571 -0.3948016 0.0793536), wk = 0.0030864 k( 202) = ( -0.3214286 -0.3841313 0.0772089), wk = 0.0030864 k( 203) = ( -0.3125000 -0.3734610 0.0750642), wk = 0.0030864 k( 204) = ( -0.3035714 -0.3627907 0.0729195), wk = 0.0030864 k( 205) = ( -0.2946429 -0.3521203 0.0707748), wk = 0.0030864 k( 206) = ( -0.2857143 -0.3414500 0.0686302), wk = 0.0030864 k( 207) = ( -0.2767857 -0.3307797 0.0664855), wk = 0.0030864 k( 208) = ( -0.2678571 -0.3201094 0.0643408), wk = 0.0030864 k( 209) = ( -0.2589286 -0.3094391 0.0621961), wk = 0.0030864 k( 210) = ( -0.2500000 -0.2987688 0.0600514), wk = 0.0030864 k( 211) = ( -0.2410714 -0.2880985 0.0579067), wk = 0.0030864 k( 212) = ( -0.2321429 -0.2774282 0.0557620), wk = 0.0030864 k( 213) = ( -0.2232143 -0.2667578 0.0536173), wk = 0.0030864 k( 214) = ( -0.2142857 -0.2560875 0.0514726), wk = 0.0030864 k( 215) = ( -0.2053571 -0.2454172 0.0493279), wk = 0.0030864 k( 216) = ( -0.1964286 -0.2347469 0.0471832), wk = 0.0030864 k( 217) = ( -0.1875000 -0.2240766 0.0450385), wk = 0.0030864 k( 218) = ( -0.1785714 -0.2134063 0.0428938), wk = 0.0030864 k( 219) = ( -0.1696429 -0.2027360 0.0407492), wk = 0.0030864 k( 220) = ( -0.1607143 -0.1920656 0.0386045), wk = 0.0030864 k( 221) = ( -0.1517857 -0.1813953 0.0364598), wk = 0.0030864 k( 222) = ( -0.1428571 -0.1707250 0.0343151), wk = 0.0030864 k( 223) = ( -0.1339286 -0.1600547 0.0321704), wk = 0.0030864 k( 224) = ( -0.1250000 -0.1493844 0.0300257), wk = 0.0030864 k( 225) = ( -0.1160714 -0.1387141 0.0278810), wk = 0.0030864 k( 226) = ( -0.1071429 -0.1280438 0.0257363), wk = 0.0030864 k( 227) = ( -0.0982143 -0.1173735 0.0235916), wk = 0.0030864 k( 228) = ( -0.0892857 -0.1067031 0.0214469), wk = 0.0030864 k( 229) = ( -0.0803571 -0.0960328 0.0193022), wk = 0.0030864 k( 230) = ( -0.0714286 -0.0853625 0.0171575), wk = 0.0030864 k( 231) = ( -0.0625000 -0.0746922 0.0150128), wk = 0.0030864 k( 232) = ( -0.0535714 -0.0640219 0.0128682), wk = 0.0030864 k( 233) = ( -0.0446429 -0.0533516 0.0107235), wk = 0.0030864 k( 234) = ( -0.0357143 -0.0426813 0.0085788), wk = 0.0030864 k( 235) = ( -0.0267857 -0.0320109 0.0064341), wk = 0.0030864 k( 236) = ( -0.0178571 -0.0213406 0.0042894), wk = 0.0030864 k( 237) = ( -0.0089286 -0.0106703 0.0021447), wk = 0.0030864 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 240) = ( 0.0000000 0.0000000 0.0139948), wk = 0.0030864 k( 241) = ( 0.0000000 0.0000000 0.0279896), wk = 0.0030864 k( 242) = ( 0.0000000 0.0000000 0.0419844), wk = 0.0030864 k( 243) = ( 0.0000000 0.0000000 0.0559791), wk = 0.0030864 k( 244) = ( 0.0000000 0.0000000 0.0699739), wk = 0.0030864 k( 245) = ( 0.0000000 0.0000000 0.0839687), wk = 0.0030864 k( 246) = ( 0.0000000 0.0000000 0.0979635), wk = 0.0030864 k( 247) = ( 0.0000000 0.0000000 0.1119583), wk = 0.0030864 k( 248) = ( 0.0000000 0.0000000 0.1259531), wk = 0.0030864 k( 249) = ( 0.0000000 0.0000000 0.1399478), wk = 0.0030864 k( 250) = ( 0.0000000 0.0000000 0.1539426), wk = 0.0030864 k( 251) = ( 0.0000000 0.0000000 0.1679374), wk = 0.0030864 k( 252) = ( 0.0000000 0.0000000 0.1819322), wk = 0.0030864 k( 253) = ( 0.0000000 0.0000000 0.1959270), wk = 0.0030864 k( 254) = ( 0.0000000 0.0000000 0.2099218), wk = 0.0030864 k( 255) = ( 0.0000000 0.0000000 0.2239165), wk = 0.0030864 k( 256) = ( 0.0000000 0.0000000 0.2379113), wk = 0.0030864 k( 257) = ( 0.0000000 0.0000000 0.2519061), wk = 0.0030864 k( 258) = ( 0.0000000 0.0000000 0.2659009), wk = 0.0030864 k( 259) = ( 0.0000000 0.0000000 0.2798957), wk = 0.0030864 k( 260) = ( 0.0000000 0.0000000 0.2938905), wk = 0.0030864 k( 261) = ( 0.0000000 0.0000000 0.3078852), wk = 0.0030864 k( 262) = ( 0.0000000 0.0000000 0.3218800), wk = 0.0030864 k( 263) = ( 0.0000000 0.0000000 0.3358748), wk = 0.0030864 k( 264) = ( 0.0000000 0.0000000 0.3498696), wk = 0.0030864 k( 265) = ( 0.0000000 0.0000000 0.3638644), wk = 0.0030864 k( 266) = ( 0.0000000 0.0000000 0.3778592), wk = 0.0030864 k( 267) = ( 0.0000000 0.0000000 0.3918540), wk = 0.0030864 k( 268) = ( 0.0000000 0.0000000 0.4058487), wk = 0.0030864 k( 269) = ( 0.0000000 0.0000000 0.4198435), wk = 0.0030864 k( 270) = ( 0.0000000 0.0000000 0.4338383), wk = 0.0030864 k( 271) = ( 0.0000000 0.0000000 0.4478331), wk = 0.0030864 k( 272) = ( 0.0000000 0.0000000 0.4618279), wk = 0.0030864 k( 273) = ( 0.0000000 0.0000000 0.4758227), wk = 0.0030864 k( 274) = ( 0.0000000 0.0000000 0.4898174), wk = 0.0030864 k( 275) = ( 0.0000000 0.0000000 0.5038122), wk = 0.0030864 k( 276) = ( 0.0000000 0.0000000 0.5178070), wk = 0.0030864 k( 277) = ( 0.0000000 0.0000000 0.5318018), wk = 0.0030864 k( 278) = ( 0.0000000 0.0000000 0.5457966), wk = 0.0030864 k( 279) = ( 0.0000000 0.0000000 0.5597914), wk = 0.0030864 k( 280) = ( 0.0000000 0.0000000 0.5737861), wk = 0.0030864 k( 281) = ( 0.0000000 0.0000000 0.5877809), wk = 0.0030864 k( 282) = ( 0.0000000 0.0000000 0.6017757), wk = 0.0030864 k( 283) = ( 0.0000000 -0.5075734 0.2743898), wk = 0.0030864 k( 284) = ( 0.0000000 -0.4951935 0.2676974), wk = 0.0030864 k( 285) = ( 0.0000000 -0.4828137 0.2610049), wk = 0.0030864 k( 286) = ( 0.0000000 -0.4704338 0.2543125), wk = 0.0030864 k( 287) = ( 0.0000000 -0.4580540 0.2476201), wk = 0.0030864 k( 288) = ( 0.0000000 -0.4456742 0.2409276), wk = 0.0030864 k( 289) = ( 0.0000000 -0.4332943 0.2342352), wk = 0.0030864 k( 290) = ( 0.0000000 -0.4209145 0.2275428), wk = 0.0030864 k( 291) = ( 0.0000000 -0.4085346 0.2208503), wk = 0.0030864 k( 292) = ( 0.0000000 -0.3961548 0.2141579), wk = 0.0030864 k( 293) = ( 0.0000000 -0.3837750 0.2074655), wk = 0.0030864 k( 294) = ( 0.0000000 -0.3713951 0.2007730), wk = 0.0030864 k( 295) = ( 0.0000000 -0.3590153 0.1940806), wk = 0.0030864 k( 296) = ( 0.0000000 -0.3466355 0.1873882), wk = 0.0030864 k( 297) = ( 0.0000000 -0.3342556 0.1806957), wk = 0.0030864 k( 298) = ( 0.0000000 -0.3218758 0.1740033), wk = 0.0030864 k( 299) = ( 0.0000000 -0.3094960 0.1673109), wk = 0.0030864 k( 300) = ( 0.0000000 -0.2971161 0.1606184), wk = 0.0030864 k( 301) = ( 0.0000000 -0.2847363 0.1539260), wk = 0.0030864 k( 302) = ( 0.0000000 -0.2723564 0.1472336), wk = 0.0030864 k( 303) = ( 0.0000000 -0.2599766 0.1405411), wk = 0.0030864 k( 304) = ( 0.0000000 -0.2475968 0.1338487), wk = 0.0030864 k( 305) = ( 0.0000000 -0.2352169 0.1271563), wk = 0.0030864 k( 306) = ( 0.0000000 -0.2228371 0.1204638), wk = 0.0030864 k( 307) = ( 0.0000000 -0.2104572 0.1137714), wk = 0.0030864 k( 308) = ( 0.0000000 -0.1980774 0.1070790), wk = 0.0030864 k( 309) = ( 0.0000000 -0.1856976 0.1003865), wk = 0.0030864 k( 310) = ( 0.0000000 -0.1733177 0.0936941), wk = 0.0030864 k( 311) = ( 0.0000000 -0.1609379 0.0870017), wk = 0.0030864 k( 312) = ( 0.0000000 -0.1485581 0.0803092), wk = 0.0030864 k( 313) = ( 0.0000000 -0.1361782 0.0736168), wk = 0.0030864 k( 314) = ( 0.0000000 -0.1237984 0.0669243), wk = 0.0030864 k( 315) = ( 0.0000000 -0.1114185 0.0602319), wk = 0.0030864 k( 316) = ( 0.0000000 -0.0990387 0.0535395), wk = 0.0030864 k( 317) = ( 0.0000000 -0.0866589 0.0468470), wk = 0.0030864 k( 318) = ( 0.0000000 -0.0742790 0.0401546), wk = 0.0030864 k( 319) = ( 0.0000000 -0.0618992 0.0334622), wk = 0.0030864 k( 320) = ( 0.0000000 -0.0495194 0.0267697), wk = 0.0030864 k( 321) = ( 0.0000000 -0.0371395 0.0200773), wk = 0.0030864 k( 322) = ( 0.0000000 -0.0247597 0.0133849), wk = 0.0030864 k( 323) = ( 0.0000000 -0.0123798 0.0066924), wk = 0.0030864 k( 324) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0000000 -0.4883721 0.0000000), wk = 0.0030864 k( 3) = ( 0.0000000 -0.4767442 0.0000000), wk = 0.0030864 k( 4) = ( 0.0000000 -0.4651163 0.0000000), wk = 0.0030864 k( 5) = ( 0.0000000 -0.4534884 0.0000000), wk = 0.0030864 k( 6) = ( 0.0000000 -0.4418605 0.0000000), wk = 0.0030864 k( 7) = ( 0.0000000 -0.4302326 -0.0000000), wk = 0.0030864 k( 8) = ( 0.0000000 -0.4186047 0.0000000), wk = 0.0030864 k( 9) = ( 0.0000000 -0.4069767 0.0000000), wk = 0.0030864 k( 10) = ( 0.0000000 -0.3953488 0.0000000), wk = 0.0030864 k( 11) = ( 0.0000000 -0.3837209 0.0000000), wk = 0.0030864 k( 12) = ( 0.0000000 -0.3720930 0.0000000), wk = 0.0030864 k( 13) = ( 0.0000000 -0.3604651 0.0000000), wk = 0.0030864 k( 14) = ( 0.0000000 -0.3488372 0.0000000), wk = 0.0030864 k( 15) = ( 0.0000000 -0.3372093 0.0000000), wk = 0.0030864 k( 16) = ( 0.0000000 -0.3255814 0.0000000), wk = 0.0030864 k( 17) = ( 0.0000000 -0.3139535 0.0000000), wk = 0.0030864 k( 18) = ( 0.0000000 -0.3023256 0.0000000), wk = 0.0030864 k( 19) = ( 0.0000000 -0.2906977 0.0000000), wk = 0.0030864 k( 20) = ( 0.0000000 -0.2790698 0.0000000), wk = 0.0030864 k( 21) = ( 0.0000000 -0.2674419 0.0000000), wk = 0.0030864 k( 22) = ( 0.0000000 -0.2558140 0.0000000), wk = 0.0030864 k( 23) = ( 0.0000000 -0.2441860 0.0000000), wk = 0.0030864 k( 24) = ( 0.0000000 -0.2325581 0.0000000), wk = 0.0030864 k( 25) = ( 0.0000000 -0.2209302 0.0000000), wk = 0.0030864 k( 26) = ( 0.0000000 -0.2093023 0.0000000), wk = 0.0030864 k( 27) = ( 0.0000000 -0.1976744 0.0000000), wk = 0.0030864 k( 28) = ( 0.0000000 -0.1860465 0.0000000), wk = 0.0030864 k( 29) = ( 0.0000000 -0.1744186 0.0000000), wk = 0.0030864 k( 30) = ( 0.0000000 -0.1627907 0.0000000), wk = 0.0030864 k( 31) = ( 0.0000000 -0.1511628 0.0000000), wk = 0.0030864 k( 32) = ( 0.0000000 -0.1395349 0.0000000), wk = 0.0030864 k( 33) = ( 0.0000000 -0.1279070 0.0000000), wk = 0.0030864 k( 34) = ( 0.0000000 -0.1162791 0.0000000), wk = 0.0030864 k( 35) = ( 0.0000000 -0.1046512 0.0000000), wk = 0.0030864 k( 36) = ( 0.0000000 -0.0930233 0.0000000), wk = 0.0030864 k( 37) = ( 0.0000000 -0.0813954 0.0000000), wk = 0.0030864 k( 38) = ( 0.0000000 -0.0697674 0.0000000), wk = 0.0030864 k( 39) = ( 0.0000000 -0.0581395 0.0000000), wk = 0.0030864 k( 40) = ( 0.0000000 -0.0465116 0.0000000), wk = 0.0030864 k( 41) = ( 0.0000000 -0.0348837 0.0000000), wk = 0.0030864 k( 42) = ( 0.0000000 -0.0232558 -0.0000000), wk = 0.0030864 k( 43) = ( 0.0000000 -0.0116279 0.0000000), wk = 0.0030864 k( 44) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 45) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 46) = ( 0.0131579 -0.0000000 0.0000000), wk = 0.0030864 k( 47) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0030864 k( 48) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0030864 k( 49) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0030864 k( 50) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0030864 k( 51) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0030864 k( 52) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0030864 k( 53) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0030864 k( 54) = ( 0.1184210 -0.0000000 0.0000000), wk = 0.0030864 k( 55) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0030864 k( 56) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0030864 k( 57) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0030864 k( 58) = ( 0.1710526 -0.0000000 0.0000000), wk = 0.0030864 k( 59) = ( 0.1842105 0.0000000 -0.0000000), wk = 0.0030864 k( 60) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0030864 k( 61) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0030864 k( 62) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0030864 k( 63) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0030864 k( 64) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0030864 k( 65) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0030864 k( 66) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0030864 k( 67) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0030864 k( 68) = ( 0.3026316 -0.0000000 0.0000000), wk = 0.0030864 k( 69) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0030864 k( 70) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0030864 k( 71) = ( 0.3421053 -0.0000000 0.0000000), wk = 0.0030864 k( 72) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0030864 k( 73) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0030864 k( 74) = ( 0.3815789 -0.0000000 0.0000000), wk = 0.0030864 k( 75) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0030864 k( 76) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0030864 k( 77) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0030864 k( 78) = ( 0.4342105 -0.0000000 -0.0000000), wk = 0.0030864 k( 79) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0030864 k( 80) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0030864 k( 81) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0030864 k( 82) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0030864 k( 83) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030864 k( 84) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030864 k( 85) = ( 0.4895833 -0.4895833 0.0000000), wk = 0.0030864 k( 86) = ( 0.4791667 -0.4791667 0.0000000), wk = 0.0030864 k( 87) = ( 0.4687500 -0.4687500 0.0000000), wk = 0.0030864 k( 88) = ( 0.4583333 -0.4583333 -0.0000000), wk = 0.0030864 k( 89) = ( 0.4479167 -0.4479167 0.0000000), wk = 0.0030864 k( 90) = ( 0.4375000 -0.4375000 0.0000000), wk = 0.0030864 k( 91) = ( 0.4270833 -0.4270833 0.0000000), wk = 0.0030864 k( 92) = ( 0.4166667 -0.4166667 0.0000000), wk = 0.0030864 k( 93) = ( 0.4062500 -0.4062500 0.0000000), wk = 0.0030864 k( 94) = ( 0.3958333 -0.3958333 0.0000000), wk = 0.0030864 k( 95) = ( 0.3854167 -0.3854167 -0.0000000), wk = 0.0030864 k( 96) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0030864 k( 97) = ( 0.3645833 -0.3645833 0.0000000), wk = 0.0030864 k( 98) = ( 0.3541667 -0.3541667 -0.0000000), wk = 0.0030864 k( 99) = ( 0.3437500 -0.3437500 -0.0000000), wk = 0.0030864 k( 100) = ( 0.3333333 -0.3333333 -0.0000000), wk = 0.0030864 k( 101) = ( 0.3229167 -0.3229167 0.0000000), wk = 0.0030864 k( 102) = ( 0.3125000 -0.3125000 0.0000000), wk = 0.0030864 k( 103) = ( 0.3020833 -0.3020833 0.0000000), wk = 0.0030864 k( 104) = ( 0.2916667 -0.2916667 0.0000000), wk = 0.0030864 k( 105) = ( 0.2812500 -0.2812500 -0.0000000), wk = 0.0030864 k( 106) = ( 0.2708333 -0.2708333 0.0000000), wk = 0.0030864 k( 107) = ( 0.2604167 -0.2604167 0.0000000), wk = 0.0030864 k( 108) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0030864 k( 109) = ( 0.2395833 -0.2395833 0.0000000), wk = 0.0030864 k( 110) = ( 0.2291667 -0.2291667 0.0000000), wk = 0.0030864 k( 111) = ( 0.2187500 -0.2187500 0.0000000), wk = 0.0030864 k( 112) = ( 0.2083333 -0.2083333 -0.0000000), wk = 0.0030864 k( 113) = ( 0.1979167 -0.1979167 0.0000000), wk = 0.0030864 k( 114) = ( 0.1875000 -0.1875000 0.0000000), wk = 0.0030864 k( 115) = ( 0.1770833 -0.1770833 0.0000000), wk = 0.0030864 k( 116) = ( 0.1666667 -0.1666667 0.0000000), wk = 0.0030864 k( 117) = ( 0.1562500 -0.1562500 0.0000000), wk = 0.0030864 k( 118) = ( 0.1458333 -0.1458333 -0.0000000), wk = 0.0030864 k( 119) = ( 0.1354167 -0.1354167 0.0000000), wk = 0.0030864 k( 120) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0030864 k( 121) = ( 0.1145833 -0.1145833 -0.0000000), wk = 0.0030864 k( 122) = ( 0.1041667 -0.1041667 -0.0000000), wk = 0.0030864 k( 123) = ( 0.0937500 -0.0937500 0.0000000), wk = 0.0030864 k( 124) = ( 0.0833333 -0.0833333 -0.0000000), wk = 0.0030864 k( 125) = ( 0.0729167 -0.0729167 0.0000000), wk = 0.0030864 k( 126) = ( 0.0625000 -0.0625000 0.0000000), wk = 0.0030864 k( 127) = ( 0.0520833 -0.0520833 0.0000000), wk = 0.0030864 k( 128) = ( 0.0416667 -0.0416667 0.0000000), wk = 0.0030864 k( 129) = ( 0.0312500 -0.0312500 0.0000000), wk = 0.0030864 k( 130) = ( 0.0208333 -0.0208333 0.0000000), wk = 0.0030864 k( 131) = ( 0.0104167 -0.0104167 0.0000000), wk = 0.0030864 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 134) = ( -0.0104167 0.0000000 0.0104167), wk = 0.0030864 k( 135) = ( -0.0208333 0.0000000 0.0208333), wk = 0.0030864 k( 136) = ( -0.0312500 0.0000000 0.0312500), wk = 0.0030864 k( 137) = ( -0.0416667 0.0000000 0.0416667), wk = 0.0030864 k( 138) = ( -0.0520833 0.0000000 0.0520833), wk = 0.0030864 k( 139) = ( -0.0625000 0.0000000 0.0625000), wk = 0.0030864 k( 140) = ( -0.0729167 0.0000000 0.0729167), wk = 0.0030864 k( 141) = ( -0.0833333 0.0000000 0.0833333), wk = 0.0030864 k( 142) = ( -0.0937500 0.0000000 0.0937500), wk = 0.0030864 k( 143) = ( -0.1041667 0.0000000 0.1041667), wk = 0.0030864 k( 144) = ( -0.1145833 0.0000000 0.1145833), wk = 0.0030864 k( 145) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0030864 k( 146) = ( -0.1354167 0.0000000 0.1354167), wk = 0.0030864 k( 147) = ( -0.1458333 0.0000000 0.1458333), wk = 0.0030864 k( 148) = ( -0.1562500 0.0000000 0.1562500), wk = 0.0030864 k( 149) = ( -0.1666667 0.0000000 0.1666667), wk = 0.0030864 k( 150) = ( -0.1770833 0.0000000 0.1770833), wk = 0.0030864 k( 151) = ( -0.1875000 0.0000000 0.1875000), wk = 0.0030864 k( 152) = ( -0.1979167 0.0000000 0.1979167), wk = 0.0030864 k( 153) = ( -0.2083333 0.0000000 0.2083333), wk = 0.0030864 k( 154) = ( -0.2187500 0.0000000 0.2187500), wk = 0.0030864 k( 155) = ( -0.2291667 0.0000000 0.2291667), wk = 0.0030864 k( 156) = ( -0.2395833 0.0000000 0.2395833), wk = 0.0030864 k( 157) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0030864 k( 158) = ( -0.2604167 0.0000000 0.2604167), wk = 0.0030864 k( 159) = ( -0.2708333 0.0000000 0.2708333), wk = 0.0030864 k( 160) = ( -0.2812500 0.0000000 0.2812500), wk = 0.0030864 k( 161) = ( -0.2916667 0.0000000 0.2916667), wk = 0.0030864 k( 162) = ( -0.3020833 0.0000000 0.3020833), wk = 0.0030864 k( 163) = ( -0.3125000 0.0000000 0.3125000), wk = 0.0030864 k( 164) = ( -0.3229167 0.0000000 0.3229167), wk = 0.0030864 k( 165) = ( -0.3333333 0.0000000 0.3333333), wk = 0.0030864 k( 166) = ( -0.3437500 0.0000000 0.3437500), wk = 0.0030864 k( 167) = ( -0.3541667 0.0000000 0.3541667), wk = 0.0030864 k( 168) = ( -0.3645833 0.0000000 0.3645833), wk = 0.0030864 k( 169) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0030864 k( 170) = ( -0.3854167 0.0000000 0.3854167), wk = 0.0030864 k( 171) = ( -0.3958333 0.0000000 0.3958333), wk = 0.0030864 k( 172) = ( -0.4062500 0.0000000 0.4062500), wk = 0.0030864 k( 173) = ( -0.4166667 0.0000000 0.4166667), wk = 0.0030864 k( 174) = ( -0.4270833 0.0000000 0.4270833), wk = 0.0030864 k( 175) = ( -0.4375000 0.0000000 0.4375000), wk = 0.0030864 k( 176) = ( -0.4479167 0.0000000 0.4479167), wk = 0.0030864 k( 177) = ( -0.4583333 0.0000000 0.4583333), wk = 0.0030864 k( 178) = ( -0.4687500 0.0000000 0.4687500), wk = 0.0030864 k( 179) = ( -0.4791667 0.0000000 0.4791667), wk = 0.0030864 k( 180) = ( -0.4895833 0.0000000 0.4895833), wk = 0.0030864 k( 181) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0030864 k( 182) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0030864 k( 183) = ( -0.4910714 -0.4910714 0.4910714), wk = 0.0030864 k( 184) = ( -0.4821429 -0.4821429 0.4821429), wk = 0.0030864 k( 185) = ( -0.4732143 -0.4732143 0.4732143), wk = 0.0030864 k( 186) = ( -0.4642857 -0.4642857 0.4642857), wk = 0.0030864 k( 187) = ( -0.4553571 -0.4553571 0.4553571), wk = 0.0030864 k( 188) = ( -0.4464286 -0.4464286 0.4464286), wk = 0.0030864 k( 189) = ( -0.4375000 -0.4375000 0.4375000), wk = 0.0030864 k( 190) = ( -0.4285714 -0.4285714 0.4285714), wk = 0.0030864 k( 191) = ( -0.4196429 -0.4196429 0.4196429), wk = 0.0030864 k( 192) = ( -0.4107143 -0.4107143 0.4107143), wk = 0.0030864 k( 193) = ( -0.4017857 -0.4017857 0.4017857), wk = 0.0030864 k( 194) = ( -0.3928571 -0.3928571 0.3928571), wk = 0.0030864 k( 195) = ( -0.3839286 -0.3839286 0.3839286), wk = 0.0030864 k( 196) = ( -0.3750000 -0.3750000 0.3750000), wk = 0.0030864 k( 197) = ( -0.3660714 -0.3660714 0.3660714), wk = 0.0030864 k( 198) = ( -0.3571429 -0.3571429 0.3571429), wk = 0.0030864 k( 199) = ( -0.3482143 -0.3482143 0.3482143), wk = 0.0030864 k( 200) = ( -0.3392857 -0.3392857 0.3392857), wk = 0.0030864 k( 201) = ( -0.3303571 -0.3303571 0.3303571), wk = 0.0030864 k( 202) = ( -0.3214286 -0.3214286 0.3214286), wk = 0.0030864 k( 203) = ( -0.3125000 -0.3125000 0.3125000), wk = 0.0030864 k( 204) = ( -0.3035714 -0.3035714 0.3035714), wk = 0.0030864 k( 205) = ( -0.2946429 -0.2946429 0.2946429), wk = 0.0030864 k( 206) = ( -0.2857143 -0.2857143 0.2857143), wk = 0.0030864 k( 207) = ( -0.2767857 -0.2767857 0.2767857), wk = 0.0030864 k( 208) = ( -0.2678571 -0.2678571 0.2678571), wk = 0.0030864 k( 209) = ( -0.2589286 -0.2589286 0.2589286), wk = 0.0030864 k( 210) = ( -0.2500000 -0.2500000 0.2500000), wk = 0.0030864 k( 211) = ( -0.2410714 -0.2410714 0.2410714), wk = 0.0030864 k( 212) = ( -0.2321429 -0.2321429 0.2321429), wk = 0.0030864 k( 213) = ( -0.2232143 -0.2232143 0.2232143), wk = 0.0030864 k( 214) = ( -0.2142857 -0.2142857 0.2142857), wk = 0.0030864 k( 215) = ( -0.2053571 -0.2053571 0.2053571), wk = 0.0030864 k( 216) = ( -0.1964286 -0.1964286 0.1964286), wk = 0.0030864 k( 217) = ( -0.1875000 -0.1875000 0.1875000), wk = 0.0030864 k( 218) = ( -0.1785714 -0.1785714 0.1785714), wk = 0.0030864 k( 219) = ( -0.1696429 -0.1696429 0.1696429), wk = 0.0030864 k( 220) = ( -0.1607143 -0.1607143 0.1607143), wk = 0.0030864 k( 221) = ( -0.1517857 -0.1517857 0.1517857), wk = 0.0030864 k( 222) = ( -0.1428571 -0.1428571 0.1428571), wk = 0.0030864 k( 223) = ( -0.1339286 -0.1339286 0.1339286), wk = 0.0030864 k( 224) = ( -0.1250000 -0.1250000 0.1250000), wk = 0.0030864 k( 225) = ( -0.1160714 -0.1160714 0.1160714), wk = 0.0030864 k( 226) = ( -0.1071429 -0.1071429 0.1071429), wk = 0.0030864 k( 227) = ( -0.0982143 -0.0982143 0.0982143), wk = 0.0030864 k( 228) = ( -0.0892857 -0.0892857 0.0892857), wk = 0.0030864 k( 229) = ( -0.0803571 -0.0803571 0.0803571), wk = 0.0030864 k( 230) = ( -0.0714286 -0.0714286 0.0714286), wk = 0.0030864 k( 231) = ( -0.0625000 -0.0625000 0.0625000), wk = 0.0030864 k( 232) = ( -0.0535714 -0.0535714 0.0535714), wk = 0.0030864 k( 233) = ( -0.0446429 -0.0446429 0.0446429), wk = 0.0030864 k( 234) = ( -0.0357143 -0.0357143 0.0357143), wk = 0.0030864 k( 235) = ( -0.0267857 -0.0267857 0.0267857), wk = 0.0030864 k( 236) = ( -0.0178571 -0.0178571 0.0178571), wk = 0.0030864 k( 237) = ( -0.0089286 -0.0089286 0.0089286), wk = 0.0030864 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 240) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0030864 k( 241) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0030864 k( 242) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0030864 k( 243) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0030864 k( 244) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0030864 k( 245) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0030864 k( 246) = ( 0.0000000 0.0000000 0.0813953), wk = 0.0030864 k( 247) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0030864 k( 248) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0030864 k( 249) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0030864 k( 250) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0030864 k( 251) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0030864 k( 252) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0030864 k( 253) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0030864 k( 254) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0030864 k( 255) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0030864 k( 256) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0030864 k( 257) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0030864 k( 258) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0030864 k( 259) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0030864 k( 260) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0030864 k( 261) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0030864 k( 262) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0030864 k( 263) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0030864 k( 264) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0030864 k( 265) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0030864 k( 266) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0030864 k( 267) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0030864 k( 268) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0030864 k( 269) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0030864 k( 270) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0030864 k( 271) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0030864 k( 272) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0030864 k( 273) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0030864 k( 274) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0030864 k( 275) = ( 0.0000000 0.0000000 0.4186046), wk = 0.0030864 k( 276) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0030864 k( 277) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0030864 k( 278) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0030864 k( 279) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0030864 k( 280) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0030864 k( 281) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0030864 k( 282) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 283) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0030864 k( 284) = ( 0.0000000 -0.4878049 0.4878049), wk = 0.0030864 k( 285) = ( 0.0000000 -0.4756098 0.4756098), wk = 0.0030864 k( 286) = ( 0.0000000 -0.4634146 0.4634146), wk = 0.0030864 k( 287) = ( 0.0000000 -0.4512195 0.4512195), wk = 0.0030864 k( 288) = ( 0.0000000 -0.4390244 0.4390244), wk = 0.0030864 k( 289) = ( 0.0000000 -0.4268293 0.4268293), wk = 0.0030864 k( 290) = ( 0.0000000 -0.4146341 0.4146341), wk = 0.0030864 k( 291) = ( 0.0000000 -0.4024390 0.4024390), wk = 0.0030864 k( 292) = ( 0.0000000 -0.3902439 0.3902439), wk = 0.0030864 k( 293) = ( 0.0000000 -0.3780488 0.3780488), wk = 0.0030864 k( 294) = ( 0.0000000 -0.3658537 0.3658537), wk = 0.0030864 k( 295) = ( 0.0000000 -0.3536585 0.3536585), wk = 0.0030864 k( 296) = ( 0.0000000 -0.3414634 0.3414634), wk = 0.0030864 k( 297) = ( 0.0000000 -0.3292683 0.3292683), wk = 0.0030864 k( 298) = ( 0.0000000 -0.3170732 0.3170732), wk = 0.0030864 k( 299) = ( 0.0000000 -0.3048781 0.3048781), wk = 0.0030864 k( 300) = ( 0.0000000 -0.2926829 0.2926829), wk = 0.0030864 k( 301) = ( 0.0000000 -0.2804878 0.2804878), wk = 0.0030864 k( 302) = ( 0.0000000 -0.2682927 0.2682927), wk = 0.0030864 k( 303) = ( 0.0000000 -0.2560976 0.2560976), wk = 0.0030864 k( 304) = ( 0.0000000 -0.2439024 0.2439024), wk = 0.0030864 k( 305) = ( 0.0000000 -0.2317073 0.2317073), wk = 0.0030864 k( 306) = ( 0.0000000 -0.2195122 0.2195122), wk = 0.0030864 k( 307) = ( 0.0000000 -0.2073171 0.2073171), wk = 0.0030864 k( 308) = ( 0.0000000 -0.1951219 0.1951219), wk = 0.0030864 k( 309) = ( 0.0000000 -0.1829268 0.1829268), wk = 0.0030864 k( 310) = ( 0.0000000 -0.1707317 0.1707317), wk = 0.0030864 k( 311) = ( 0.0000000 -0.1585366 0.1585366), wk = 0.0030864 k( 312) = ( 0.0000000 -0.1463415 0.1463415), wk = 0.0030864 k( 313) = ( 0.0000000 -0.1341463 0.1341463), wk = 0.0030864 k( 314) = ( 0.0000000 -0.1219512 0.1219512), wk = 0.0030864 k( 315) = ( 0.0000000 -0.1097561 0.1097561), wk = 0.0030864 k( 316) = ( 0.0000000 -0.0975610 0.0975610), wk = 0.0030864 k( 317) = ( 0.0000000 -0.0853658 0.0853658), wk = 0.0030864 k( 318) = ( 0.0000000 -0.0731707 0.0731707), wk = 0.0030864 k( 319) = ( 0.0000000 -0.0609756 0.0609756), wk = 0.0030864 k( 320) = ( 0.0000000 -0.0487805 0.0487805), wk = 0.0030864 k( 321) = ( 0.0000000 -0.0365854 0.0365854), wk = 0.0030864 k( 322) = ( 0.0000000 -0.0243902 0.0243902), wk = 0.0030864 k( 323) = ( 0.0000000 -0.0121951 0.0121951), wk = 0.0030864 k( 324) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 Dense grid: 48747 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18667 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 102, 56) NL pseudopotentials 0.13 Mb ( 51, 168) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1016) G-vector shells 0.01 Mb ( 1016) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 102, 224) Each subspace H/S matrix 0.77 Mb ( 224, 224) Each matrix 0.29 Mb ( 168, 2, 56) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./BC5.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.0 secs Computing kpt #: 4 total cpu time spent up to now is 44.6 secs Computing kpt #: 5 total cpu time spent up to now is 46.2 secs Computing kpt #: 6 total cpu time spent up to now is 47.8 secs Computing kpt #: 7 total cpu time spent up to now is 49.6 secs Computing kpt #: 8 total cpu time spent up to now is 51.4 secs Computing kpt #: 9 total cpu time spent up to now is 53.2 secs Computing kpt #: 10 total cpu time spent up to now is 54.9 secs Computing kpt #: 11 total cpu time spent up to now is 56.5 secs Computing kpt #: 12 total cpu time spent up to now is 58.0 secs Computing kpt #: 13 total cpu time spent up to now is 59.5 secs Computing kpt #: 14 total cpu time spent up to now is 61.0 secs Computing kpt #: 15 total cpu time spent up to now is 62.3 secs Computing kpt #: 16 total cpu time spent up to now is 63.7 secs Computing kpt #: 17 total cpu time spent up to now is 65.0 secs Computing kpt #: 18 total cpu time spent up to now is 66.4 secs Computing kpt #: 19 total cpu time spent up to now is 67.6 secs Computing kpt #: 20 total cpu time spent up to now is 68.9 secs Computing kpt #: 21 total cpu time spent up to now is 70.2 secs Computing kpt #: 22 total cpu time spent up to now is 71.4 secs Computing kpt #: 23 total cpu time spent up to now is 72.7 secs Computing kpt #: 24 total cpu time spent up to now is 74.0 secs Computing kpt #: 25 total cpu time spent up to now is 75.2 secs Computing kpt #: 26 total cpu time spent up to now is 76.5 secs Computing kpt #: 27 total cpu time spent up to now is 77.8 secs Computing kpt #: 28 total cpu time spent up to now is 79.1 secs Computing kpt #: 29 total cpu time spent up to now is 80.5 secs Computing kpt #: 30 total cpu time spent up to now is 81.7 secs Computing kpt #: 31 total cpu time spent up to now is 83.1 secs Computing kpt #: 32 total cpu time spent up to now is 84.4 secs Computing kpt #: 33 total cpu time spent up to now is 85.8 secs Computing kpt #: 34 total cpu time spent up to now is 87.2 secs Computing kpt #: 35 total cpu time spent up to now is 88.6 secs Computing kpt #: 36 total cpu time spent up to now is 90.0 secs Computing kpt #: 37 total cpu time spent up to now is 91.5 secs Computing kpt #: 38 total cpu time spent up to now is 93.0 secs Computing kpt #: 39 total cpu time spent up to now is 94.7 secs Computing kpt #: 40 total cpu time spent up to now is 96.5 secs Computing kpt #: 41 total cpu time spent up to now is 98.2 secs Computing kpt #: 42 total cpu time spent up to now is 100.0 secs Computing kpt #: 43 total cpu time spent up to now is 101.8 secs Computing kpt #: 44 total cpu time spent up to now is 103.5 secs Computing kpt #: 45 total cpu time spent up to now is 105.1 secs Computing kpt #: 46 total cpu time spent up to now is 107.0 secs Computing kpt #: 47 total cpu time spent up to now is 108.7 secs Computing kpt #: 48 total cpu time spent up to now is 110.6 secs Computing kpt #: 49 total cpu time spent up to now is 112.3 secs Computing kpt #: 50 total cpu time spent up to now is 114.1 secs Computing kpt #: 51 total cpu time spent up to now is 115.9 secs Computing kpt #: 52 total cpu time spent up to now is 117.6 secs Computing kpt #: 53 total cpu time spent up to now is 119.3 secs Computing kpt #: 54 total cpu time spent up to now is 120.7 secs Computing kpt #: 55 total cpu time spent up to now is 122.4 secs Computing kpt #: 56 total cpu time spent up to now is 123.8 secs Computing kpt #: 57 total cpu time spent up to now is 125.3 secs Computing kpt #: 58 total cpu time spent up to now is 126.7 secs Computing kpt #: 59 total cpu time spent up to now is 128.2 secs Computing kpt #: 60 total cpu time spent up to now is 129.6 secs Computing kpt #: 61 total cpu time spent up to now is 131.0 secs Computing kpt #: 62 total cpu time spent up to now is 132.5 secs Computing kpt #: 63 total cpu time spent up to now is 133.9 secs Computing kpt #: 64 total cpu time spent up to now is 135.4 secs Computing kpt #: 65 total cpu time spent up to now is 136.9 secs Computing kpt #: 66 total cpu time spent up to now is 138.3 secs Computing kpt #: 67 total cpu time spent up to now is 139.8 secs Computing kpt #: 68 total cpu time spent up to now is 141.2 secs Computing kpt #: 69 total cpu time spent up to now is 142.7 secs Computing kpt #: 70 total cpu time spent up to now is 144.1 secs Computing kpt #: 71 total cpu time spent up to now is 145.5 secs Computing kpt #: 72 total cpu time spent up to now is 146.9 secs Computing kpt #: 73 total cpu time spent up to now is 148.4 secs Computing kpt #: 74 total cpu time spent up to now is 149.9 secs Computing kpt #: 75 total cpu time spent up to now is 151.3 secs Computing kpt #: 76 total cpu time spent up to now is 152.7 secs Computing kpt #: 77 total cpu time spent up to now is 154.2 secs Computing kpt #: 78 total cpu time spent up to now is 155.6 secs Computing kpt #: 79 total cpu time spent up to now is 157.1 secs Computing kpt #: 80 total cpu time spent up to now is 158.6 secs Computing kpt #: 81 total cpu time spent up to now is 160.0 secs Computing kpt #: 82 total cpu time spent up to now is 161.5 secs Computing kpt #: 83 total cpu time spent up to now is 162.8 secs Computing kpt #: 84 total cpu time spent up to now is 164.2 secs Computing kpt #: 85 total cpu time spent up to now is 165.7 secs Computing kpt #: 86 total cpu time spent up to now is 167.1 secs Computing kpt #: 87 total cpu time spent up to now is 168.6 secs Computing kpt #: 88 total cpu time spent up to now is 170.0 secs Computing kpt #: 89 total cpu time spent up to now is 171.4 secs Computing kpt #: 90 total cpu time spent up to now is 172.8 secs Computing kpt #: 91 total cpu time spent up to now is 174.2 secs Computing kpt #: 92 total cpu time spent up to now is 175.6 secs Computing kpt #: 93 total cpu time spent up to now is 176.9 secs Computing kpt #: 94 total cpu time spent up to now is 178.1 secs Computing kpt #: 95 total cpu time spent up to now is 179.3 secs Computing kpt #: 96 total cpu time spent up to now is 180.7 secs Computing kpt #: 97 total cpu time spent up to now is 182.0 secs Computing kpt #: 98 total cpu time spent up to now is 183.2 secs Computing kpt #: 99 total cpu time spent up to now is 184.3 secs Computing kpt #: 100 total cpu time spent up to now is 185.6 secs Computing kpt #: 101 total cpu time spent up to now is 186.8 secs Computing kpt #: 102 total cpu time spent up to now is 188.0 secs Computing kpt #: 103 total cpu time spent up to now is 189.2 secs Computing kpt #: 104 total cpu time spent up to now is 190.4 secs Computing kpt #: 105 total cpu time spent up to now is 191.8 secs Computing kpt #: 106 total cpu time spent up to now is 193.1 secs Computing kpt #: 107 total cpu time spent up to now is 194.4 secs Computing kpt #: 108 total cpu time spent up to now is 195.8 secs Computing kpt #: 109 total cpu time spent up to now is 197.1 secs Computing kpt #: 110 total cpu time spent up to now is 198.5 secs Computing kpt #: 111 total cpu time spent up to now is 199.9 secs Computing kpt #: 112 total cpu time spent up to now is 201.2 secs Computing kpt #: 113 total cpu time spent up to now is 202.5 secs Computing kpt #: 114 total cpu time spent up to now is 203.9 secs Computing kpt #: 115 total cpu time spent up to now is 205.2 secs Computing kpt #: 116 total cpu time spent up to now is 206.6 secs Computing kpt #: 117 total cpu time spent up to now is 207.9 secs Computing kpt #: 118 total cpu time spent up to now is 209.1 secs Computing kpt #: 119 total cpu time spent up to now is 210.4 secs Computing kpt #: 120 total cpu time spent up to now is 211.7 secs Computing kpt #: 121 total cpu time spent up to now is 213.1 secs Computing kpt #: 122 total cpu time spent up to now is 214.4 secs Computing kpt #: 123 total cpu time spent up to now is 215.9 secs Computing kpt #: 124 total cpu time spent up to now is 217.3 secs Computing kpt #: 125 total cpu time spent up to now is 218.8 secs Computing kpt #: 126 total cpu time spent up to now is 220.7 secs Computing kpt #: 127 total cpu time spent up to now is 222.5 secs Computing kpt #: 128 total cpu time spent up to now is 224.3 secs Computing kpt #: 129 total cpu time spent up to now is 226.0 secs Computing kpt #: 130 total cpu time spent up to now is 227.7 secs Computing kpt #: 131 total cpu time spent up to now is 229.5 secs Computing kpt #: 132 total cpu time spent up to now is 231.1 secs Computing kpt #: 133 total cpu time spent up to now is 232.8 secs Computing kpt #: 134 total cpu time spent up to now is 234.6 secs Computing kpt #: 135 total cpu time spent up to now is 236.3 secs Computing kpt #: 136 total cpu time spent up to now is 238.2 secs Computing kpt #: 137 total cpu time spent up to now is 240.0 secs Computing kpt #: 138 total cpu time spent up to now is 241.7 secs Computing kpt #: 139 total cpu time spent up to now is 243.2 secs Computing kpt #: 140 total cpu time spent up to now is 244.6 secs Computing kpt #: 141 total cpu time spent up to now is 246.2 secs Computing kpt #: 142 total cpu time spent up to now is 247.6 secs Computing kpt #: 143 total cpu time spent up to now is 249.0 secs Computing kpt #: 144 total cpu time spent up to now is 250.3 secs Computing kpt #: 145 total cpu time spent up to now is 251.7 secs Computing kpt #: 146 total cpu time spent up to now is 253.1 secs Computing kpt #: 147 total cpu time spent up to now is 254.4 secs Computing kpt #: 148 total cpu time spent up to now is 255.8 secs Computing kpt #: 149 total cpu time spent up to now is 257.2 secs Computing kpt #: 150 total cpu time spent up to now is 258.5 secs Computing kpt #: 151 total cpu time spent up to now is 259.8 secs Computing kpt #: 152 total cpu time spent up to now is 261.1 secs Computing kpt #: 153 total cpu time spent up to now is 262.4 secs Computing kpt #: 154 total cpu time spent up to now is 263.8 secs Computing kpt #: 155 total cpu time spent up to now is 265.1 secs Computing kpt #: 156 total cpu time spent up to now is 266.4 secs Computing kpt #: 157 total cpu time spent up to now is 267.7 secs Computing kpt #: 158 total cpu time spent up to now is 269.0 secs Computing kpt #: 159 total cpu time spent up to now is 270.3 secs Computing kpt #: 160 total cpu time spent up to now is 271.6 secs Computing kpt #: 161 total cpu time spent up to now is 272.8 secs Computing kpt #: 162 total cpu time spent up to now is 274.2 secs Computing kpt #: 163 total cpu time spent up to now is 275.6 secs Computing kpt #: 164 total cpu time spent up to now is 277.0 secs Computing kpt #: 165 total cpu time spent up to now is 278.5 secs Computing kpt #: 166 total cpu time spent up to now is 279.9 secs Computing kpt #: 167 total cpu time spent up to now is 281.4 secs Computing kpt #: 168 total cpu time spent up to now is 282.8 secs Computing kpt #: 169 total cpu time spent up to now is 284.3 secs Computing kpt #: 170 total cpu time spent up to now is 285.6 secs Computing kpt #: 171 total cpu time spent up to now is 287.1 secs Computing kpt #: 172 total cpu time spent up to now is 288.4 secs Computing kpt #: 173 total cpu time spent up to now is 289.8 secs Computing kpt #: 174 total cpu time spent up to now is 291.1 secs Computing kpt #: 175 total cpu time spent up to now is 292.4 secs Computing kpt #: 176 total cpu time spent up to now is 293.7 secs Computing kpt #: 177 total cpu time spent up to now is 295.0 secs Computing kpt #: 178 total cpu time spent up to now is 296.2 secs Computing kpt #: 179 total cpu time spent up to now is 297.5 secs Computing kpt #: 180 total cpu time spent up to now is 298.8 secs Computing kpt #: 181 total cpu time spent up to now is 300.1 secs Computing kpt #: 182 total cpu time spent up to now is 301.5 secs Computing kpt #: 183 total cpu time spent up to now is 302.9 secs Computing kpt #: 184 total cpu time spent up to now is 304.2 secs Computing kpt #: 185 total cpu time spent up to now is 305.6 secs Computing kpt #: 186 total cpu time spent up to now is 307.0 secs Computing kpt #: 187 total cpu time spent up to now is 308.3 secs Computing kpt #: 188 total cpu time spent up to now is 309.8 secs Computing kpt #: 189 total cpu time spent up to now is 311.2 secs Computing kpt #: 190 total cpu time spent up to now is 312.5 secs Computing kpt #: 191 total cpu time spent up to now is 313.9 secs Computing kpt #: 192 total cpu time spent up to now is 315.2 secs Computing kpt #: 193 total cpu time spent up to now is 316.5 secs Computing kpt #: 194 total cpu time spent up to now is 317.9 secs Computing kpt #: 195 total cpu time spent up to now is 319.3 secs Computing kpt #: 196 total cpu time spent up to now is 320.7 secs Computing kpt #: 197 total cpu time spent up to now is 322.0 secs Computing kpt #: 198 total cpu time spent up to now is 323.4 secs Computing kpt #: 199 total cpu time spent up to now is 324.8 secs Computing kpt #: 200 total cpu time spent up to now is 326.2 secs Computing kpt #: 201 total cpu time spent up to now is 327.5 secs Computing kpt #: 202 total cpu time spent up to now is 329.0 secs Computing kpt #: 203 total cpu time spent up to now is 330.4 secs Computing kpt #: 204 total cpu time spent up to now is 331.8 secs Computing kpt #: 205 total cpu time spent up to now is 333.2 secs Computing kpt #: 206 total cpu time spent up to now is 334.5 secs Computing kpt #: 207 total cpu time spent up to now is 335.9 secs Computing kpt #: 208 total cpu time spent up to now is 337.3 secs Computing kpt #: 209 total cpu time spent up to now is 338.7 secs Computing kpt #: 210 total cpu time spent up to now is 340.1 secs Computing kpt #: 211 total cpu time spent up to now is 341.5 secs Computing kpt #: 212 total cpu time spent up to now is 342.9 secs Computing kpt #: 213 total cpu time spent up to now is 344.3 secs Computing kpt #: 214 total cpu time spent up to now is 345.7 secs Computing kpt #: 215 total cpu time spent up to now is 347.1 secs Computing kpt #: 216 total cpu time spent up to now is 348.7 secs Computing kpt #: 217 total cpu time spent up to now is 350.1 secs Computing kpt #: 218 total cpu time spent up to now is 351.5 secs Computing kpt #: 219 total cpu time spent up to now is 352.9 secs Computing kpt #: 220 total cpu time spent up to now is 354.4 secs Computing kpt #: 221 total cpu time spent up to now is 355.8 secs Computing kpt #: 222 total cpu time spent up to now is 357.2 secs Computing kpt #: 223 total cpu time spent up to now is 358.6 secs Computing kpt #: 224 total cpu time spent up to now is 360.0 secs Computing kpt #: 225 total cpu time spent up to now is 361.8 secs Computing kpt #: 226 total cpu time spent up to now is 363.7 secs Computing kpt #: 227 total cpu time spent up to now is 365.5 secs Computing kpt #: 228 total cpu time spent up to now is 367.4 secs Computing kpt #: 229 total cpu time spent up to now is 369.2 secs Computing kpt #: 230 total cpu time spent up to now is 371.2 secs Computing kpt #: 231 total cpu time spent up to now is 373.1 secs Computing kpt #: 232 total cpu time spent up to now is 374.6 secs Computing kpt #: 233 total cpu time spent up to now is 376.4 secs Computing kpt #: 234 total cpu time spent up to now is 378.2 secs Computing kpt #: 235 total cpu time spent up to now is 380.0 secs Computing kpt #: 236 total cpu time spent up to now is 381.6 secs Computing kpt #: 237 total cpu time spent up to now is 383.3 secs Computing kpt #: 238 total cpu time spent up to now is 385.1 secs Computing kpt #: 239 total cpu time spent up to now is 386.6 secs Computing kpt #: 240 total cpu time spent up to now is 388.3 secs Computing kpt #: 241 total cpu time spent up to now is 390.0 secs Computing kpt #: 242 total cpu time spent up to now is 391.7 secs Computing kpt #: 243 total cpu time spent up to now is 393.2 secs Computing kpt #: 244 total cpu time spent up to now is 394.9 secs Computing kpt #: 245 total cpu time spent up to now is 396.3 secs Computing kpt #: 246 total cpu time spent up to now is 397.8 secs Computing kpt #: 247 total cpu time spent up to now is 399.2 secs Computing kpt #: 248 total cpu time spent up to now is 400.6 secs Computing kpt #: 249 total cpu time spent up to now is 401.9 secs Computing kpt #: 250 total cpu time spent up to now is 403.3 secs Computing kpt #: 251 total cpu time spent up to now is 404.7 secs Computing kpt #: 252 total cpu time spent up to now is 406.0 secs Computing kpt #: 253 total cpu time spent up to now is 407.3 secs Computing kpt #: 254 total cpu time spent up to now is 408.7 secs Computing kpt #: 255 total cpu time spent up to now is 410.0 secs Computing kpt #: 256 total cpu time spent up to now is 411.4 secs Computing kpt #: 257 total cpu time spent up to now is 412.7 secs Computing kpt #: 258 total cpu time spent up to now is 414.2 secs Computing kpt #: 259 total cpu time spent up to now is 415.5 secs Computing kpt #: 260 total cpu time spent up to now is 416.9 secs Computing kpt #: 261 total cpu time spent up to now is 418.3 secs Computing kpt #: 262 total cpu time spent up to now is 419.7 secs Computing kpt #: 263 total cpu time spent up to now is 421.2 secs Computing kpt #: 264 total cpu time spent up to now is 422.6 secs Computing kpt #: 265 total cpu time spent up to now is 424.1 secs Computing kpt #: 266 total cpu time spent up to now is 425.6 secs Computing kpt #: 267 total cpu time spent up to now is 427.1 secs Computing kpt #: 268 total cpu time spent up to now is 428.5 secs Computing kpt #: 269 total cpu time spent up to now is 429.8 secs Computing kpt #: 270 total cpu time spent up to now is 431.1 secs Computing kpt #: 271 total cpu time spent up to now is 432.6 secs Computing kpt #: 272 total cpu time spent up to now is 433.9 secs Computing kpt #: 273 total cpu time spent up to now is 435.2 secs Computing kpt #: 274 total cpu time spent up to now is 436.5 secs Computing kpt #: 275 total cpu time spent up to now is 437.9 secs Computing kpt #: 276 total cpu time spent up to now is 439.3 secs Computing kpt #: 277 total cpu time spent up to now is 440.7 secs Computing kpt #: 278 total cpu time spent up to now is 442.0 secs Computing kpt #: 279 total cpu time spent up to now is 443.4 secs Computing kpt #: 280 total cpu time spent up to now is 444.9 secs Computing kpt #: 281 total cpu time spent up to now is 446.3 secs Computing kpt #: 282 total cpu time spent up to now is 447.7 secs Computing kpt #: 283 total cpu time spent up to now is 449.1 secs Computing kpt #: 284 total cpu time spent up to now is 450.6 secs Computing kpt #: 285 total cpu time spent up to now is 452.0 secs Computing kpt #: 286 total cpu time spent up to now is 453.3 secs Computing kpt #: 287 total cpu time spent up to now is 454.5 secs Computing kpt #: 288 total cpu time spent up to now is 455.8 secs Computing kpt #: 289 total cpu time spent up to now is 457.1 secs Computing kpt #: 290 total cpu time spent up to now is 458.3 secs Computing kpt #: 291 total cpu time spent up to now is 459.5 secs Computing kpt #: 292 total cpu time spent up to now is 460.7 secs Computing kpt #: 293 total cpu time spent up to now is 462.0 secs Computing kpt #: 294 total cpu time spent up to now is 463.3 secs Computing kpt #: 295 total cpu time spent up to now is 464.5 secs Computing kpt #: 296 total cpu time spent up to now is 465.8 secs Computing kpt #: 297 total cpu time spent up to now is 467.0 secs Computing kpt #: 298 total cpu time spent up to now is 468.3 secs Computing kpt #: 299 total cpu time spent up to now is 469.6 secs Computing kpt #: 300 total cpu time spent up to now is 470.8 secs Computing kpt #: 301 total cpu time spent up to now is 472.1 secs Computing kpt #: 302 total cpu time spent up to now is 473.3 secs Computing kpt #: 303 total cpu time spent up to now is 474.7 secs Computing kpt #: 304 total cpu time spent up to now is 476.0 secs Computing kpt #: 305 total cpu time spent up to now is 477.2 secs Computing kpt #: 306 total cpu time spent up to now is 478.5 secs Computing kpt #: 307 total cpu time spent up to now is 479.9 secs Computing kpt #: 308 total cpu time spent up to now is 481.3 secs Computing kpt #: 309 total cpu time spent up to now is 482.6 secs Computing kpt #: 310 total cpu time spent up to now is 484.0 secs Computing kpt #: 311 total cpu time spent up to now is 485.4 secs Computing kpt #: 312 total cpu time spent up to now is 486.8 secs Computing kpt #: 313 total cpu time spent up to now is 488.1 secs Computing kpt #: 314 total cpu time spent up to now is 489.5 secs Computing kpt #: 315 total cpu time spent up to now is 491.0 secs Computing kpt #: 316 total cpu time spent up to now is 492.6 secs Computing kpt #: 317 total cpu time spent up to now is 494.0 secs Computing kpt #: 318 total cpu time spent up to now is 495.8 secs Computing kpt #: 319 total cpu time spent up to now is 497.6 secs Computing kpt #: 320 total cpu time spent up to now is 499.5 secs Computing kpt #: 321 total cpu time spent up to now is 501.3 secs Computing kpt #: 322 total cpu time spent up to now is 503.2 secs Computing kpt #: 323 total cpu time spent up to now is 505.1 secs Computing kpt #: 324 total cpu time spent up to now is 506.7 secs ethr = 2.17E-11, avg # of iterations = 26.7 total cpu time spent up to now is 506.9 secs End of band structure calculation k = 0.0000-0.5076-0.3274 ( 2330 PWs) bands (ev): -8.7313 -8.7313 -7.6764 -7.6764 -6.1843 -6.1843 -4.2775 -4.2775 -3.6508 -3.6508 -1.9877 -1.9877 0.9943 0.9943 1.9969 1.9969 2.7553 2.7553 2.9597 2.9597 3.2159 3.2159 3.7627 3.7627 4.7787 4.7787 4.9809 4.9809 5.4241 5.4241 5.9365 5.9365 7.7675 7.7675 8.0436 8.0436 9.4182 9.4182 9.6980 9.6980 10.5112 10.5112 13.1130 13.1130 13.3708 13.3708 13.7918 13.7918 14.1849 14.1849 14.8624 14.8624 16.3671 16.3671 18.1267 18.1267 k = 0.0000-0.4958-0.3198 ( 2327 PWs) bands (ev): -8.7358 -8.7358 -7.6708 -7.6708 -6.1843 -6.1843 -4.2760 -4.2760 -3.6513 -3.6513 -1.9856 -1.9856 0.9883 0.9883 1.9881 1.9881 2.7569 2.7569 2.9623 2.9623 3.2193 3.2193 3.7630 3.7630 4.7717 4.7717 4.9901 4.9901 5.4070 5.4070 5.9568 5.9568 7.7147 7.7147 8.0981 8.0981 9.4163 9.4163 9.7018 9.7018 10.5132 10.5132 13.1015 13.1015 13.3684 13.3684 13.7991 13.7991 14.1878 14.1878 14.8539 14.8539 16.3744 16.3744 18.1292 18.1292 k = 0.0000-0.4840-0.3122 ( 2328 PWs) bands (ev): -8.7492 -8.7492 -7.6541 -7.6541 -6.1846 -6.1846 -4.2713 -4.2713 -3.6528 -3.6528 -1.9793 -1.9793 0.9704 0.9704 1.9625 1.9625 2.7614 2.7614 2.9687 2.9687 3.2297 3.2297 3.7640 3.7640 4.7539 4.7539 5.0142 5.0142 5.3631 5.3631 6.0105 6.0105 7.6101 7.6101 8.2079 8.2079 9.4111 9.4111 9.7129 9.7129 10.5193 10.5193 13.0685 13.0685 13.3614 13.3614 13.8197 13.8197 14.1955 14.1955 14.8299 14.8299 16.3953 16.3953 18.1368 18.1368 k = 0.0000-0.4722-0.3045 ( 2331 PWs) bands (ev): -8.7705 -8.7705 -7.6273 -7.6273 -6.1849 -6.1849 -4.2636 -4.2636 -3.6554 -3.6554 -1.9690 -1.9690 0.9410 0.9410 1.9223 1.9223 2.7679 2.7679 2.9763 2.9763 3.2481 3.2481 3.7661 3.7661 4.7305 4.7305 5.0454 5.0454 5.3070 5.3070 6.0849 6.0849 7.4946 7.4946 8.3319 8.3319 9.4041 9.4041 9.7304 9.7304 10.5294 10.5294 13.0178 13.0178 13.3495 13.3495 13.8509 13.8509 14.2046 14.2046 14.7951 14.7951 16.4276 16.4276 18.1486 18.1486 k = 0.0000-0.4604-0.2969 ( 2329 PWs) bands (ev): -8.7987 -8.7987 -7.5914 -7.5914 -6.1853 -6.1853 -4.2528 -4.2528 -3.6588 -3.6588 -1.9546 -1.9546 0.9007 0.9007 1.8700 1.8700 2.7756 2.7756 2.9821 2.9821 3.2744 3.2744 3.7698 3.7698 4.7049 4.7049 5.0724 5.0724 5.2557 5.2557 6.1700 6.1700 7.3794 7.3794 8.4590 8.4590 9.3976 9.3976 9.7534 9.7534 10.5433 10.5433 12.9535 12.9535 13.3328 13.3328 13.8897 13.8897 14.2092 14.2092 14.7573 14.7573 16.4683 16.4683 18.1637 18.1637 k = 0.0000-0.4486-0.2893 ( 2329 PWs) bands (ev): -8.8323 -8.8323 -7.5480 -7.5480 -6.1856 -6.1856 -4.2390 -4.2390 -3.6632 -3.6632 -1.9362 -1.9362 0.8503 0.8503 1.8084 1.8084 2.7837 2.7837 2.9842 2.9842 3.3073 3.3073 3.7759 3.7759 4.6784 4.6784 5.0712 5.0712 5.2365 5.2365 6.2587 6.2587 7.2696 7.2696 8.5840 8.5840 9.3947 9.3947 9.7811 9.7811 10.5610 10.5610 12.8790 12.8790 13.3115 13.3115 13.9338 13.9338 14.2013 14.2013 14.7266 14.7266 16.5142 16.5142 18.1803 18.1803 k = 0.0000-0.4367-0.2817 ( 2328 PWs) bands (ev): -8.8704 -8.8704 -7.4984 -7.4984 -6.1857 -6.1857 -4.2222 -4.2222 -3.6683 -3.6683 -1.9139 -1.9139 0.7907 0.7907 1.7393 1.7393 2.7915 2.7915 2.9824 2.9824 3.3435 3.3435 3.7858 3.7858 4.6512 4.6512 5.0312 5.0312 5.2626 5.2626 6.3443 6.3443 7.1704 7.1704 8.7024 8.7024 9.3994 9.3994 9.8130 9.8130 10.5822 10.5822 12.7968 12.7968 13.2859 13.2859 13.9807 13.9807 14.1736 14.1736 14.7131 14.7131 16.5624 16.5624 18.1959 18.1959 k = 0.0000-0.4249-0.2741 ( 2326 PWs) bands (ev): -8.9116 -8.9116 -7.4436 -7.4436 -6.1854 -6.1854 -4.2025 -4.2025 -3.6741 -3.6741 -1.8879 -1.8879 0.7229 0.7229 1.6644 1.6644 2.7981 2.7981 2.9775 2.9775 3.3786 3.3786 3.8011 3.8011 4.6229 4.6229 4.9767 4.9767 5.3115 5.3115 6.4172 6.4172 7.0907 7.0907 8.8079 8.8079 9.4177 9.4177 9.8489 9.8489 10.6068 10.6068 12.7089 12.7089 13.2562 13.2562 14.0216 14.0216 14.1308 14.1308 14.7211 14.7211 16.6106 16.6106 18.2070 18.2070 k = 0.0000-0.4131-0.2665 ( 2329 PWs) bands (ev): -8.9551 -8.9551 -7.3850 -7.3850 -6.1845 -6.1845 -4.1801 -4.1801 -3.6805 -3.6805 -1.8583 -1.8583 0.6477 0.6477 1.5849 1.5849 2.8026 2.8026 2.9711 2.9711 3.4082 3.4082 3.8234 3.8234 4.5924 4.5924 4.9229 4.9229 5.3699 5.3699 6.4623 6.4623 7.0452 7.0452 8.8929 8.8929 9.4570 9.4570 9.8890 9.8890 10.6345 10.6345 12.6166 12.6166 13.2226 13.2226 14.0057 14.0057 14.1269 14.1269 14.7481 14.7481 16.6570 16.6570 18.2092 18.2092 k = 0.0000-0.4013-0.2589 ( 2328 PWs) bands (ev): -9.0003 -9.0003 -7.3234 -7.3234 -6.1826 -6.1826 -4.1548 -4.1548 -3.6873 -3.6873 -1.8251 -1.8251 0.5662 0.5662 1.5017 1.5017 2.8037 2.8037 2.9647 2.9647 3.4290 3.4290 3.8535 3.8535 4.5590 4.5590 4.8758 4.8758 5.4337 5.4337 6.4638 6.4638 7.0494 7.0494 8.9518 8.9518 9.5227 9.5227 9.9334 9.9334 10.6652 10.6652 12.5209 12.5209 13.1855 13.1855 13.9241 13.9241 14.1765 14.1765 14.7887 14.7887 16.7001 16.7001 18.1982 18.1982 k = 0.0000-0.3895-0.2512 ( 2330 PWs) bands (ev): -9.0463 -9.0463 -7.2598 -7.2598 -6.1796 -6.1796 -4.1269 -4.1269 -3.6945 -3.6945 -1.7886 -1.7886 0.4791 0.4791 1.4153 1.4153 2.8005 2.8005 2.9600 2.9600 3.4394 3.4394 3.8904 3.8904 4.5224 4.5224 4.8381 4.8381 5.5011 5.5011 6.4223 6.4223 7.1027 7.1027 8.9853 8.9853 9.6133 9.6133 9.9828 9.9828 10.6986 10.6986 12.4225 12.4225 13.1449 13.1449 13.8237 13.8237 14.2385 14.2385 14.8380 14.8380 16.7387 16.7387 18.1714 18.1714 k = 0.0000-0.3777-0.2436 ( 2327 PWs) bands (ev): -9.0929 -9.0929 -7.1950 -7.1950 -6.1749 -6.1749 -4.0965 -4.0965 -3.7018 -3.7018 -1.7490 -1.7490 0.3874 0.3874 1.3262 1.3262 2.7920 2.7920 2.9579 2.9579 3.4399 3.4399 3.9308 3.9308 4.4841 4.4841 4.8105 4.8105 5.5711 5.5711 6.3537 6.3537 7.1893 7.1893 8.9997 8.9997 9.7213 9.7213 10.0381 10.0381 10.7347 10.7347 12.3222 12.3222 13.1008 13.1008 13.7156 13.7156 14.3054 14.3054 14.8926 14.8926 16.7722 16.7722 18.1292 18.1292 k = 0.0000-0.3659-0.2360 ( 2330 PWs) bands (ev): -9.1395 -9.1395 -7.1299 -7.1299 -6.1679 -6.1679 -4.0637 -4.0637 -3.7092 -3.7092 -1.7063 -1.7063 0.2918 0.2918 1.2348 1.2348 2.7784 2.7784 2.9583 2.9583 3.4317 3.4317 3.9702 3.9702 4.4473 4.4473 4.7925 4.7925 5.6430 5.6430 6.2727 6.2727 7.2951 7.2951 9.0019 9.0019 9.8376 9.8376 10.1013 10.1013 10.7733 10.7733 12.2204 12.2204 13.0532 13.0532 13.6046 13.6046 14.3756 14.3756 14.9501 14.9501 16.7999 16.7999 18.0741 18.0741 k = 0.0000-0.3541-0.2284 ( 2331 PWs) bands (ev): -9.1859 -9.1859 -7.0655 -7.0655 -6.1582 -6.1582 -4.0287 -4.0287 -3.7164 -3.7164 -1.6609 -1.6609 0.1929 0.1929 1.1414 1.1414 2.7606 2.7606 2.9601 2.9601 3.4168 3.4168 4.0025 4.0025 4.4168 4.4168 4.7832 4.7832 5.7152 5.7152 6.1884 6.1884 7.4121 7.4121 8.9970 8.9970 9.9533 9.9533 10.1758 10.1758 10.8146 10.8146 12.1177 12.1177 13.0014 13.0014 13.4939 13.4939 14.4483 14.4483 15.0089 15.0089 16.8213 16.8213 18.0092 18.0092 k = 0.0000-0.3423-0.2208 ( 2330 PWs) bands (ev): -9.2319 -9.2319 -7.0026 -7.0026 -6.1448 -6.1448 -3.9917 -3.9917 -3.7231 -3.7231 -1.6128 -1.6128 0.0913 0.0913 1.0463 1.0463 2.7395 2.7395 2.9619 2.9619 3.3972 3.3972 4.0212 4.0212 4.3978 4.3978 4.7815 4.7815 5.7847 5.7847 6.1083 6.1083 7.5360 7.5360 8.9880 8.9880 10.0601 10.0601 10.2658 10.2658 10.8589 10.8589 12.0147 12.0147 12.9446 12.9446 13.3866 13.3866 14.5227 14.5227 15.0680 15.0680 16.8360 16.8360 17.9373 17.9373 k = 0.0000-0.3305-0.2132 ( 2329 PWs) bands (ev): -9.2771 -9.2771 -6.9424 -6.9424 -6.1270 -6.1270 -3.9532 -3.9532 -3.7289 -3.7289 -1.5623 -1.5623 -0.0122 -0.0122 0.9497 0.9497 2.7162 2.7162 2.9616 2.9616 3.3748 3.3748 4.0220 4.0220 4.3937 4.3937 4.7869 4.7869 5.8394 5.8394 6.0465 6.0465 7.6646 7.6646 8.9769 8.9769 10.1537 10.1537 10.3723 10.3723 10.9065 10.9065 11.9120 11.9120 12.8816 12.8816 13.2855 13.2855 14.5983 14.5983 15.1266 15.1266 16.8436 16.8436 17.8608 17.8608 k = 0.0000-0.3187-0.2056 ( 2326 PWs) bands (ev): -9.3215 -9.3215 -6.8860 -6.8860 -6.1037 -6.1037 -3.9141 -3.9141 -3.7330 -3.7330 -1.5098 -1.5098 -0.1172 -0.1172 0.8517 0.8517 2.6913 2.6913 2.9572 2.9572 3.3520 3.3520 4.0056 4.0056 4.4023 4.4023 4.7990 4.7990 5.8434 5.8434 6.0406 6.0406 7.7964 7.7964 8.9650 8.9650 10.2366 10.2366 10.4894 10.4894 10.9583 10.9583 11.8106 11.8106 12.8110 12.8110 13.1935 13.1935 14.6743 14.6743 15.1841 15.1841 16.8437 16.8437 17.7816 17.7816 k = 0.0000-0.3069-0.1980 ( 2327 PWs) bands (ev): -9.3649 -9.3649 -6.8344 -6.8344 -6.0741 -6.0741 -3.8760 -3.8760 -3.7337 -3.7337 -1.4557 -1.4557 -0.2229 -0.2229 0.7527 0.7527 2.6654 2.6654 2.9462 2.9462 3.3312 3.3312 3.9771 3.9771 4.4174 4.4174 4.8175 4.8175 5.7934 5.7934 6.0949 6.0949 7.9306 7.9306 8.9533 8.9533 10.3134 10.3134 10.6082 10.6082 11.0155 11.0155 11.7124 11.7124 12.7321 12.7321 13.1127 13.1127 14.7500 14.7500 15.2401 15.2401 16.8357 16.8357 17.7014 17.7014 k = 0.0000-0.2951-0.1903 ( 2326 PWs) bands (ev): -9.4072 -9.4072 -6.7885 -6.7885 -6.0374 -6.0374 -3.8429 -3.8429 -3.7270 -3.7270 -1.4004 -1.4004 -0.3286 -0.3286 0.6527 0.6527 2.6391 2.6391 2.9263 2.9263 3.3150 3.3150 3.9417 3.9417 4.4329 4.4329 4.8416 4.8416 5.7292 5.7292 6.1710 6.1710 8.0662 8.0662 8.9423 8.9423 10.3869 10.3869 10.7210 10.7210 11.0779 11.0779 11.6211 11.6211 12.6458 12.6458 13.0435 13.0435 14.8247 14.8247 15.2942 15.2942 16.8192 16.8192 17.6219 17.6219 k = 0.0000-0.2833-0.1827 ( 2326 PWs) bands (ev): -9.4483 -9.4483 -6.7489 -6.7489 -5.9931 -5.9931 -3.8208 -3.8208 -3.7069 -3.7069 -1.3450 -1.3450 -0.4331 -0.4331 0.5520 0.5520 2.6125 2.6125 2.8960 2.8960 3.3048 3.3048 3.9035 3.9035 4.4445 4.4445 4.8702 4.8702 5.6660 5.6660 6.2547 6.2547 8.2024 8.2024 8.9329 8.9329 10.4580 10.4580 10.8218 10.8218 11.1394 11.1394 11.5468 11.5468 12.5544 12.5544 12.9851 12.9851 14.8976 14.8976 15.3462 15.3462 16.7935 16.7935 17.5447 17.5447 k = 0.0000-0.2715-0.1751 ( 2327 PWs) bands (ev): -9.4881 -9.4881 -6.7157 -6.7157 -5.9411 -5.9411 -3.8114 -3.8114 -3.6718 -3.6718 -1.2910 -1.2910 -0.5348 -0.5348 0.4508 0.4508 2.5861 2.5861 2.8549 2.8549 3.3012 3.3012 3.8649 3.8649 4.4500 4.4500 4.9011 4.9011 5.6090 5.6090 6.3423 6.3423 8.3380 8.3380 8.9260 8.9260 10.5262 10.5262 10.9078 10.9078 11.1758 11.1758 11.5153 11.5153 12.4610 12.4610 12.9359 12.9359 14.9677 14.9677 15.3958 15.3958 16.7582 16.7582 17.4713 17.4713 k = 0.0000-0.2597-0.1675 ( 2324 PWs) bands (ev): -9.5265 -9.5265 -6.6887 -6.6887 -5.8819 -5.8819 -3.8097 -3.8097 -3.6267 -3.6267 -1.2417 -1.2417 -0.6302 -0.6302 0.3491 0.3491 2.5599 2.5599 2.8040 2.8040 3.3033 3.3033 3.8275 3.8275 4.4486 4.4486 4.9319 4.9319 5.5610 5.5610 6.4325 6.4325 8.4710 8.4710 8.9235 8.9235 10.5898 10.5898 10.9803 10.9803 11.1565 11.1565 11.5556 11.5556 12.3693 12.3693 12.8943 12.8943 15.0342 15.0342 15.4430 15.4430 16.7131 16.7131 17.4029 17.4029 k = 0.0000-0.2479-0.1599 ( 2324 PWs) bands (ev): -9.5635 -9.5635 -6.6672 -6.6672 -5.8161 -5.8161 -3.8115 -3.8115 -3.5758 -3.5758 -1.2035 -1.2035 -0.7128 -0.7128 0.2473 0.2473 2.5342 2.5342 2.7447 2.7447 3.3097 3.3097 3.7927 3.7927 4.4399 4.4399 4.9599 4.9599 5.5240 5.5240 6.5248 6.5248 8.5968 8.5968 8.9295 8.9295 10.6455 10.6455 11.0381 11.0381 11.1022 11.1022 11.6485 11.6485 12.2833 12.2833 12.8594 12.8594 15.0959 15.0959 15.4876 15.4876 16.6583 16.6583 17.3403 17.3403 k = 0.0000-0.2361-0.1523 ( 2322 PWs) bands (ev): -9.5990 -9.5990 -6.6505 -6.6505 -5.7445 -5.7445 -3.8148 -3.8148 -3.5212 -3.5212 -1.1887 -1.1887 -0.7702 -0.7702 0.1455 0.1455 2.5090 2.5090 2.6782 2.6782 3.3189 3.3189 3.7611 3.7611 4.4241 4.4241 4.9828 4.9828 5.4997 5.4997 6.6190 6.6190 8.7043 8.7043 8.9547 8.9547 10.6864 10.6864 11.0157 11.0157 11.1136 11.1136 11.7598 11.7598 12.2095 12.2095 12.8305 12.8305 15.1517 15.1517 15.5297 15.5297 16.5948 16.5948 17.2839 17.2839 k = 0.0000-0.2243-0.1447 ( 2321 PWs) bands (ev): -9.6330 -9.6330 -6.6379 -6.6379 -5.6682 -5.6682 -3.8185 -3.8185 -3.4640 -3.4640 -1.2117 -1.2117 -0.7881 -0.7881 0.0440 0.0440 2.4844 2.4844 2.6061 2.6061 3.3296 3.3296 3.7337 3.7337 4.4016 4.4016 4.9988 4.9988 5.4888 5.4888 6.7148 6.7148 8.7742 8.7742 9.0179 9.0179 10.6983 10.6983 10.9628 10.9628 11.1672 11.1672 11.8616 11.8616 12.1640 12.1640 12.8072 12.8072 15.2005 15.2005 15.5694 15.5694 16.5240 16.5240 17.2330 17.2330 k = 0.0000-0.2125-0.1370 ( 2322 PWs) bands (ev): -9.6654 -9.6654 -6.6284 -6.6284 -5.5880 -5.5880 -3.8223 -3.8223 -3.4046 -3.4046 -1.2721 -1.2721 -0.7669 -0.7669 -0.0569 -0.0569 2.4600 2.4600 2.5298 2.5298 3.3403 3.3403 3.7111 3.7111 4.3731 4.3731 5.0075 5.0075 5.4907 5.4907 6.8120 6.8120 8.8054 8.8054 9.1193 9.1193 10.6655 10.6655 10.9401 10.9401 11.2219 11.2219 11.9120 11.9120 12.1843 12.1843 12.7898 12.7898 15.2408 15.2408 15.6068 15.6068 16.4479 16.4479 17.1872 17.1872 k = 0.0000-0.2007-0.1294 ( 2324 PWs) bands (ev): -9.6962 -9.6962 -6.6216 -6.6216 -5.5047 -5.5047 -3.8259 -3.8259 -3.3434 -3.3434 -1.3559 -1.3559 -0.7210 -0.7210 -0.1566 -0.1566 2.4298 2.4298 2.4561 2.4561 3.3501 3.3501 3.6940 3.6940 4.3393 4.3393 5.0098 5.0098 5.5034 5.5034 6.9107 6.9107 8.8178 8.8178 9.2383 9.2383 10.5953 10.5953 10.9425 10.9425 11.2762 11.2762 11.9029 11.9029 12.2767 12.2767 12.7792 12.7792 15.2717 15.2717 15.6418 15.6418 16.3687 16.3687 17.1454 17.1454 k = 0.0000-0.1889-0.1218 ( 2328 PWs) bands (ev): -9.7254 -9.7254 -6.6168 -6.6168 -5.4191 -5.4191 -3.8291 -3.8291 -3.2805 -3.2805 -1.4513 -1.4513 -0.6629 -0.6629 -0.2539 -0.2539 2.3584 2.3584 2.4213 2.4213 3.3580 3.3580 3.6829 3.6829 4.3014 4.3014 5.0072 5.0072 5.5242 5.5242 7.0107 7.0107 8.8232 8.8232 9.3617 9.3617 10.5069 10.5069 10.9517 10.9517 11.3295 11.3295 11.8782 11.8782 12.3949 12.3949 12.7780 12.7780 15.2921 15.2921 15.6745 15.6745 16.2888 16.2888 17.1067 17.1067 k = 0.0000-0.1771-0.1142 ( 2332 PWs) bands (ev): -9.7530 -9.7530 -6.6135 -6.6135 -5.3317 -5.3317 -3.8317 -3.8317 -3.2164 -3.2164 -1.5523 -1.5523 -0.6029 -0.6029 -0.3444 -0.3444 2.2720 2.2720 2.3996 2.3996 3.3636 3.3636 3.6777 3.6777 4.2604 4.2604 5.0012 5.0012 5.5505 5.5505 7.1120 7.1120 8.8263 8.8263 9.4832 9.4832 10.4104 10.4104 10.9587 10.9587 11.3806 11.3806 11.8596 11.8596 12.5092 12.5092 12.7941 12.7941 15.3014 15.3014 15.7044 15.7044 16.2104 16.2104 17.0705 17.0705 k = 0.0000-0.1653-0.1066 ( 2330 PWs) bands (ev): -9.7788 -9.7788 -6.6115 -6.6115 -5.2433 -5.2433 -3.8337 -3.8337 -3.1510 -3.1510 -1.6556 -1.6556 -0.5649 -0.5649 -0.4069 -0.4069 2.1823 2.1823 2.3799 2.3799 3.3668 3.3668 3.6780 3.6780 4.2176 4.2176 4.9930 4.9930 5.5800 5.5800 7.2144 7.2144 8.8288 8.8288 9.5991 9.5991 10.3101 10.3101 10.9620 10.9620 11.4290 11.4290 11.8531 11.8531 12.5945 12.5945 12.8450 12.8450 15.2993 15.2993 15.7307 15.7307 16.1358 16.1358 17.0361 17.0361 k = 0.0000-0.1535-0.0990 ( 2330 PWs) bands (ev): -9.8030 -9.8030 -6.6104 -6.6104 -5.1544 -5.1544 -3.8348 -3.8348 -3.0849 -3.0849 -1.7595 -1.7595 -0.6032 -0.6032 -0.3885 -0.3885 2.0902 2.0902 2.3616 2.3616 3.3681 3.3681 3.6830 3.6830 4.1741 4.1741 4.9833 4.9833 5.6110 5.6110 7.3179 7.3179 8.8312 8.8312 9.7059 9.7059 10.2078 10.2078 10.9643 10.9643 11.4741 11.4741 11.8588 11.8588 12.6375 12.6375 12.9409 12.9409 15.2862 15.2862 15.7522 15.7522 16.0674 16.0674 17.0031 17.0031 k = 0.0000-0.1416-0.0914 ( 2330 PWs) bands (ev): -9.8254 -9.8254 -6.6100 -6.6100 -5.0657 -5.0657 -3.8351 -3.8351 -3.0183 -3.0183 -1.8627 -1.8627 -0.6858 -0.6858 -0.3217 -0.3217 1.9964 1.9964 2.3447 2.3447 3.3682 3.3682 3.6910 3.6910 4.1312 4.1312 4.9726 4.9726 5.6422 5.6422 7.4225 7.4225 8.8340 8.8340 9.7995 9.7995 10.1045 10.1045 10.9703 10.9703 11.5162 11.5162 11.8745 11.8745 12.6539 12.6539 13.0639 13.0639 15.2629 15.2629 15.7664 15.7664 16.0086 16.0086 16.9712 16.9712 k = 0.0000-0.1298-0.0837 ( 2334 PWs) bands (ev): -9.8461 -9.8461 -6.6101 -6.6101 -4.9777 -4.9777 -3.8343 -3.8343 -2.9517 -2.9517 -1.9641 -1.9641 -0.7770 -0.7770 -0.2428 -0.2428 1.9011 1.9011 2.3290 2.3290 3.3678 3.3678 3.7005 3.7005 4.0904 4.0904 4.9611 4.9611 5.6728 5.6728 7.5279 7.5279 8.8373 8.8373 9.8751 9.8751 10.0022 10.0022 10.9853 10.9853 11.5560 11.5560 11.8967 11.8967 12.6585 12.6585 13.1971 13.1971 15.2307 15.2307 15.7692 15.7692 15.9635 15.9635 16.9401 16.9401 k = 0.0000-0.1180-0.0761 ( 2335 PWs) bands (ev): -9.8651 -9.8651 -6.6105 -6.6105 -4.8914 -4.8914 -3.8322 -3.8322 -2.8861 -2.8861 -2.0623 -2.0623 -0.8695 -0.8695 -0.1590 -0.1590 1.8047 1.8047 2.3146 2.3146 3.3677 3.3677 3.7094 3.7094 4.0530 4.0530 4.9490 4.9490 5.7021 5.7021 7.6342 7.6342 8.8409 8.8409 9.8829 9.8829 9.9480 9.9480 11.0141 11.0141 11.5941 11.5941 11.9220 11.9220 12.6566 12.6566 13.3333 13.3333 15.1915 15.1915 15.7566 15.7566 15.9362 15.9362 16.9099 16.9099 k = 0.0000-0.1062-0.0685 ( 2335 PWs) bands (ev): -9.8822 -9.8822 -6.6112 -6.6112 -4.8074 -4.8074 -3.8287 -3.8287 -2.8227 -2.8227 -2.1556 -2.1556 -0.9613 -0.9613 -0.0724 -0.0724 1.7074 1.7074 2.3015 2.3015 3.3686 3.3686 3.7155 3.7155 4.0209 4.0209 4.9366 4.9366 5.7297 5.7297 7.7411 7.7411 8.8448 8.8448 9.7838 9.7838 9.9804 9.9804 11.0590 11.0590 11.6310 11.6310 11.9479 11.9479 12.6495 12.6495 13.4696 13.4696 15.1469 15.1469 15.7301 15.7301 15.9250 15.9250 16.8803 16.8803 k = 0.0000-0.0944-0.0609 ( 2337 PWs) bands (ev): -9.8976 -9.8976 -6.6120 -6.6120 -4.7269 -4.7269 -3.8235 -3.8235 -2.7641 -2.7641 -2.2411 -2.2411 -1.0512 -1.0512 0.0161 0.0161 1.6095 1.6095 2.2898 2.2898 3.3706 3.3706 3.7169 3.7169 3.9959 3.9959 4.9241 4.9241 5.7551 5.7551 7.8486 7.8486 8.8487 8.8487 9.6788 9.6788 10.0003 10.0003 11.1192 11.1192 11.6668 11.6668 11.9725 11.9725 12.6369 12.6369 13.6043 13.6043 15.0983 15.0983 15.6970 15.6970 15.9228 15.9228 16.8513 16.8513 k = 0.0000-0.0826-0.0533 ( 2336 PWs) bands (ev): -9.9112 -9.9112 -6.6129 -6.6129 -4.6509 -4.6509 -3.8163 -3.8163 -2.7155 -2.7155 -2.3132 -2.3132 -1.1384 -1.1384 0.1061 0.1061 1.5115 1.5115 2.2793 2.2793 3.3741 3.3741 3.7119 3.7119 3.9792 3.9792 4.9117 4.9117 5.7782 5.7782 7.9565 7.9565 8.8523 8.8523 9.5735 9.5735 10.0062 10.0062 11.1915 11.1915 11.7014 11.7014 11.9948 11.9948 12.6181 12.6181 13.7365 13.7365 15.0466 15.0466 15.6636 15.6636 15.9237 15.9237 16.8223 16.8223 k = 0.0000-0.0708-0.0457 ( 2336 PWs) bands (ev): -9.9230 -9.9230 -6.6137 -6.6137 -4.5810 -4.5810 -3.8072 -3.8072 -2.6867 -2.6867 -2.3616 -2.3616 -1.2220 -1.2220 0.1971 0.1971 1.4135 1.4135 2.2703 2.2703 3.3792 3.3792 3.7005 3.7005 3.9706 3.9706 4.8998 4.8998 5.7987 5.7987 8.0645 8.0645 8.8550 8.8550 9.4688 9.4688 10.0022 10.0022 11.2710 11.2710 11.7343 11.7343 12.0147 12.0147 12.5926 12.5926 13.8655 13.8655 14.9918 14.9918 15.6336 15.6336 15.9245 15.9245 16.7915 16.7915 k = 0.0000-0.0590-0.0381 ( 2334 PWs) bands (ev): -9.9330 -9.9330 -6.6145 -6.6145 -4.5186 -4.5186 -3.7959 -3.7959 -2.6886 -2.6886 -2.3752 -2.3752 -1.3006 -1.3006 0.2886 0.2886 1.3161 1.3161 2.2626 2.2626 3.3855 3.3855 3.6843 3.6843 3.9685 3.9685 4.8887 4.8887 5.8163 5.8163 8.1723 8.1723 8.8556 8.8556 9.3661 9.3661 9.9924 9.9924 11.3524 11.3524 11.7650 11.7650 12.0327 12.0327 12.5605 12.5605 13.9906 13.9906 14.9333 14.9333 15.6091 15.6091 15.9241 15.9241 16.7558 16.7558 k = 0.0000-0.0472-0.0305 ( 2334 PWs) bands (ev): -9.9412 -9.9412 -6.6153 -6.6153 -4.4652 -4.4652 -3.7832 -3.7832 -2.7174 -2.7174 -2.3574 -2.3574 -1.3725 -1.3725 0.3798 0.3798 1.2200 1.2200 2.2563 2.2563 3.3928 3.3928 3.6658 3.6658 3.9705 3.9705 4.8790 4.8790 5.8309 5.8309 8.2793 8.2793 8.8526 8.8526 9.2672 9.2672 9.9801 9.9801 11.4303 11.4303 11.7925 11.7925 12.0501 12.0501 12.5228 12.5228 14.1112 14.1112 14.8700 14.8700 15.5913 15.5913 15.9219 15.9219 16.7124 16.7124 k = 0.0000-0.0354-0.0228 ( 2331 PWs) bands (ev): -9.9476 -9.9476 -6.6158 -6.6158 -4.4222 -4.4222 -3.7700 -3.7700 -2.7562 -2.7562 -2.3252 -2.3252 -1.4351 -1.4351 0.4693 0.4693 1.1266 1.1266 2.2514 2.2514 3.4004 3.4004 3.6477 3.6477 3.9743 3.9743 4.8708 4.8708 5.8424 5.8424 8.3846 8.3846 8.8424 8.8424 9.1764 9.1764 9.9680 9.9680 11.4991 11.4991 11.8154 11.8154 12.0680 12.0680 12.4818 12.4818 14.2264 14.2264 14.8011 14.8011 15.5800 15.5800 15.9184 15.9184 16.6664 16.6664 k = 0.0000-0.0236-0.0152 ( 2329 PWs) bands (ev): -9.9521 -9.9521 -6.6163 -6.6163 -4.3909 -4.3909 -3.7581 -3.7581 -2.7916 -2.7916 -2.2927 -2.2927 -1.4848 -1.4848 0.5541 0.5541 1.0392 1.0392 2.2479 2.2479 3.4073 3.4073 3.6324 3.6324 3.9782 3.9782 4.8647 4.8647 5.8507 5.8507 8.4862 8.4862 8.8187 8.8187 9.1018 9.1018 9.9581 9.9581 11.5534 11.5534 11.8324 11.8324 12.0867 12.0867 12.4422 12.4422 14.3353 14.3353 14.7263 14.7263 15.5740 15.5740 15.9143 15.9143 16.6272 16.6272 k = 0.0000-0.0118-0.0076 ( 2330 PWs) bands (ev): -9.9548 -9.9548 -6.6165 -6.6165 -4.3718 -4.3718 -3.7497 -3.7497 -2.8156 -2.8156 -2.2692 -2.2692 -1.5173 -1.5173 0.6248 0.6248 0.9668 0.9668 2.2458 2.2458 3.4122 3.4122 3.6221 3.6221 3.9809 3.9809 4.8609 4.8609 5.8557 5.8557 8.5788 8.5788 8.7760 8.7760 9.0539 9.0539 9.9517 9.9517 11.5882 11.5882 11.8426 11.8426 12.1029 12.1029 12.4115 12.4115 14.4345 14.4345 14.6478 14.6478 15.5716 15.5716 15.9110 15.9110 16.6017 16.6017 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k = 0.0132 0.0024 0.0041 ( 2329 PWs) bands (ev): -9.9549 -9.9549 -6.6196 -6.6196 -4.3633 -4.3633 -3.7467 -3.7467 -2.8234 -2.8234 -2.2619 -2.2619 -1.5277 -1.5277 0.6404 0.6404 0.9538 0.9538 2.2404 2.2404 3.3945 3.3945 3.6406 3.6406 3.9825 3.9825 4.8586 4.8586 5.8555 5.8555 8.6133 8.6133 8.7592 8.7592 9.0411 9.0411 9.9527 9.9527 11.5846 11.5846 11.8424 11.8424 12.1209 12.1209 12.4047 12.4047 14.4942 14.4942 14.5972 14.5972 15.5705 15.5705 15.9085 15.9085 16.5921 16.5921 k = 0.0263 0.0047 0.0081 ( 2329 PWs) bands (ev): -9.9523 -9.9523 -6.6285 -6.6285 -4.3571 -4.3571 -3.7467 -3.7467 -2.8212 -2.8212 -2.2655 -2.2655 -1.5246 -1.5246 0.6019 0.6019 1.0018 1.0018 2.2264 2.2264 3.3505 3.3505 3.6922 3.6922 3.9843 3.9843 4.8557 4.8557 5.8500 5.8500 8.5773 8.5773 8.7978 8.7978 9.0511 9.0511 9.9623 9.9623 11.5417 11.5417 11.8322 11.8322 12.1503 12.1503 12.4197 12.4197 14.4899 14.4899 14.6077 14.6077 15.5686 15.5686 15.9048 15.9048 16.5897 16.5897 k = 0.0395 0.0071 0.0122 ( 2332 PWs) bands (ev): -9.9481 -9.9481 -6.6432 -6.6432 -4.3468 -4.3468 -3.7468 -3.7468 -2.8176 -2.8176 -2.2714 -2.2714 -1.5197 -1.5197 0.5541 0.5541 1.0656 1.0656 2.2035 2.2035 3.2987 3.2987 3.7565 3.7565 3.9870 3.9870 4.8509 4.8509 5.8410 5.8410 8.5396 8.5396 8.8376 8.8376 9.0703 9.0703 9.9777 9.9777 11.4793 11.4793 11.8168 11.8168 12.1896 12.1896 12.4439 12.4439 14.4845 14.4845 14.6236 14.6236 15.5656 15.5656 15.8988 15.8988 16.5858 16.5858 k = 0.0526 0.0095 0.0162 ( 2331 PWs) bands (ev): -9.9421 -9.9421 -6.6635 -6.6635 -4.3327 -4.3327 -3.7468 -3.7468 -2.8127 -2.8127 -2.2792 -2.2792 -1.5133 -1.5133 0.5043 0.5043 1.1379 1.1379 2.1719 2.1719 3.2455 3.2455 3.8267 3.8267 3.9904 3.9904 4.8441 4.8441 5.8287 5.8287 8.5047 8.5047 8.8721 8.8721 9.1006 9.1006 9.9979 9.9979 11.4045 11.4045 11.7985 11.7985 12.2311 12.2311 12.4765 12.4765 14.4792 14.4792 14.6434 14.6434 15.5612 15.5612 15.8907 15.8907 16.5803 16.5803 k = 0.0658 0.0118 0.0203 ( 2330 PWs) bands (ev): -9.9344 -9.9344 -6.6890 -6.6890 -4.3152 -4.3152 -3.7469 -3.7469 -2.8063 -2.8063 -2.2886 -2.2886 -1.5061 -1.5061 0.4558 0.4558 1.2155 1.2155 2.1324 2.1324 3.1933 3.1933 3.9001 3.9001 3.9944 3.9944 4.8352 4.8352 5.8136 5.8136 8.4741 8.4741 8.8997 8.8997 9.1422 9.1422 10.0219 10.0219 11.3216 11.3216 11.7799 11.7799 12.2698 12.2698 12.5165 12.5165 14.4746 14.4746 14.6663 14.6663 15.5555 15.5555 15.8806 15.8806 16.5732 16.5732 k = 0.0789 0.0142 0.0244 ( 2328 PWs) bands (ev): -9.9250 -9.9250 -6.7195 -6.7195 -4.2946 -4.2946 -3.7470 -3.7470 -2.7987 -2.7987 -2.2989 -2.2989 -1.4985 -1.4985 0.4105 0.4105 1.2966 1.2966 2.0856 2.0856 3.1431 3.1431 3.9729 3.9729 4.0003 4.0003 4.8244 4.8244 5.7962 5.7962 8.4486 8.4486 8.9224 8.9224 9.1920 9.1920 10.0489 10.0489 11.2335 11.2335 11.7632 11.7632 12.3027 12.3027 12.5626 12.5626 14.4711 14.4711 14.6918 14.6918 15.5482 15.5482 15.8689 15.8689 16.5643 16.5643 k = 0.0921 0.0166 0.0284 ( 2330 PWs) bands (ev): -9.9139 -9.9139 -6.7546 -6.7546 -4.2714 -4.2714 -3.7470 -3.7470 -2.7899 -2.7899 -2.3099 -2.3099 -1.4912 -1.4912 0.3696 0.3696 1.3802 1.3802 2.0322 2.0322 3.0954 3.0954 3.9984 3.9984 4.0534 4.0534 4.8118 4.8118 5.7774 5.7774 8.4285 8.4285 8.9430 8.9430 9.2461 9.2461 10.0780 10.0780 11.1421 11.1421 11.7505 11.7505 12.3288 12.3288 12.6133 12.6133 14.4689 14.4689 14.7196 14.7196 15.5393 15.5393 15.8560 15.8560 16.5536 16.5536 k = 0.1053 0.0189 0.0325 ( 2332 PWs) bands (ev): -9.9012 -9.9012 -6.7939 -6.7939 -4.2460 -4.2460 -3.7469 -3.7469 -2.7801 -2.7801 -2.3209 -2.3209 -1.4848 -1.4848 0.3337 0.3337 1.4655 1.4655 1.9733 1.9733 3.0504 3.0504 4.0011 4.0011 4.1272 4.1272 4.7977 4.7977 5.7581 5.7581 8.4139 8.4139 8.9638 8.9638 9.3008 9.3008 10.1087 10.1087 11.0488 11.0488 11.7434 11.7434 12.3481 12.3481 12.6669 12.6669 14.4678 14.4678 14.7494 14.7494 15.5287 15.5287 15.8420 15.8420 16.5409 16.5409 k = 0.1184 0.0213 0.0365 ( 2333 PWs) bands (ev): -9.8868 -9.8868 -6.8370 -6.8370 -4.2189 -4.2189 -3.7467 -3.7467 -2.7694 -2.7694 -2.3312 -2.3312 -1.4799 -1.4799 0.3034 0.3034 1.5513 1.5513 1.9103 1.9103 3.0084 3.0084 4.0018 4.0018 4.1987 4.1987 4.7827 4.7827 5.7397 5.7397 8.4050 8.4050 8.9863 8.9863 9.3527 9.3527 10.1409 10.1409 10.9548 10.9548 11.7432 11.7432 12.3610 12.3610 12.7217 12.7217 14.4677 14.4677 14.7810 14.7810 15.5162 15.5162 15.8274 15.8274 16.5262 16.5262 k = 0.1316 0.0237 0.0406 ( 2331 PWs) bands (ev): -9.8707 -9.8707 -6.8836 -6.8836 -4.1905 -4.1905 -3.7464 -3.7464 -2.7581 -2.7581 -2.3404 -2.3404 -1.4770 -1.4770 0.2793 0.2793 1.6339 1.6339 1.8472 1.8472 2.9694 2.9694 4.0003 4.0003 4.2651 4.2651 4.7679 4.7679 5.7238 5.7238 8.4017 8.4017 9.0106 9.0106 9.3996 9.3996 10.1747 10.1747 10.8619 10.8619 11.7506 11.7506 12.3681 12.3681 12.7766 12.7766 14.4685 14.4685 14.8143 14.8143 15.5018 15.5018 15.8124 15.8124 16.5094 16.5094 k = 0.1447 0.0260 0.0447 ( 2330 PWs) bands (ev): -9.8530 -9.8530 -6.9332 -6.9332 -4.1614 -4.1614 -3.7458 -3.7458 -2.7467 -2.7467 -2.3477 -2.3477 -1.4764 -1.4764 0.2616 0.2616 1.6905 1.6905 1.8071 1.8071 2.9334 2.9334 3.9964 3.9964 4.3233 4.3233 4.7550 4.7550 5.7124 5.7124 8.4039 8.4039 9.0362 9.0362 9.4395 9.4395 10.2098 10.2098 10.7719 10.7719 11.7659 11.7659 12.3701 12.3701 12.8307 12.8307 14.4700 14.4700 14.8491 14.8491 15.4852 15.4852 15.7971 15.7971 16.4905 16.4905 k = 0.1579 0.0284 0.0487 ( 2331 PWs) bands (ev): -9.8336 -9.8336 -6.9854 -6.9854 -4.1319 -4.1319 -3.7450 -3.7450 -2.7355 -2.7355 -2.3523 -2.3523 -1.4787 -1.4787 0.2505 0.2505 1.6581 1.6581 1.8535 1.8535 2.9005 2.9005 3.9895 3.9895 4.3691 4.3691 4.7462 4.7462 5.7079 5.7079 8.4116 8.4116 9.0619 9.0619 9.4714 9.4714 10.2446 10.2446 10.6885 10.6885 11.7886 11.7886 12.3680 12.3680 12.8834 12.8834 14.4718 14.4718 14.8852 14.8852 15.4665 15.4665 15.7819 15.7819 16.4692 16.4692 k = 0.1711 0.0308 0.0528 ( 2330 PWs) bands (ev): -9.8127 -9.8127 -7.0400 -7.0400 -4.1025 -4.1025 -3.7439 -3.7439 -2.7251 -2.7251 -2.3535 -2.3535 -1.4838 -1.4838 0.2461 0.2461 1.5863 1.5863 1.9370 1.9370 2.8706 2.8706 3.9792 3.9792 4.3987 4.3987 4.7439 4.7439 5.7125 5.7125 8.4246 8.4246 9.0855 9.0855 9.4954 9.4954 10.2735 10.2735 10.6189 10.6189 11.8178 11.8178 12.3627 12.3627 12.9342 12.9342 14.4737 14.4737 14.9224 14.9224 15.4456 15.4456 15.7669 15.7669 16.4457 16.4457 k = 0.1842 0.0331 0.0568 ( 2327 PWs) bands (ev): -9.7902 -9.7902 -7.0967 -7.0967 -4.0736 -4.0736 -3.7424 -3.7424 -2.7160 -2.7160 -2.3505 -2.3505 -1.4919 -1.4919 0.2480 0.2480 1.5065 1.5065 2.0266 2.0266 2.8439 2.8439 3.9649 3.9649 4.4100 4.4100 4.7484 4.7484 5.7288 5.7288 8.4428 8.4428 9.1046 9.1046 9.5126 9.5126 10.2837 10.2837 10.5772 10.5772 11.8517 11.8517 12.3559 12.3559 12.9829 12.9829 14.4755 14.4755 14.9604 14.9604 15.4225 15.4225 15.7521 15.7521 16.4201 16.4201 k = 0.1974 0.0355 0.0609 ( 2324 PWs) bands (ev): -9.7661 -9.7661 -7.1550 -7.1550 -4.0456 -4.0456 -3.7404 -3.7404 -2.7087 -2.7087 -2.3428 -2.3428 -1.5028 -1.5028 0.2560 0.2560 1.4235 1.4235 2.1177 2.1177 2.8203 2.8203 3.9463 3.9463 4.4046 4.4046 4.7572 4.7572 5.7586 5.7586 8.4659 8.4659 9.1163 9.1163 9.5246 9.5246 10.2621 10.2621 10.5777 10.5777 11.8877 11.8877 12.3501 12.3501 13.0292 13.0292 14.4770 14.4770 14.9990 14.9990 15.3973 15.3973 15.7376 15.7376 16.3922 16.3922 k = 0.2105 0.0379 0.0650 ( 2325 PWs) bands (ev): -9.7405 -9.7405 -7.2149 -7.2149 -4.0189 -4.0189 -3.7378 -3.7378 -2.7035 -2.7035 -2.3299 -2.3299 -1.5163 -1.5163 0.2695 0.2695 1.3393 1.3393 2.2088 2.2088 2.8000 2.8000 3.9229 3.9229 4.3866 4.3866 4.7661 4.7661 5.8029 5.8029 8.4936 8.4936 9.1180 9.1180 9.5324 9.5324 10.2161 10.2161 10.6145 10.6145 11.9222 11.9222 12.3486 12.3486 13.0731 13.0731 14.4781 14.4781 15.0375 15.0375 15.3704 15.3704 15.7234 15.7234 16.3623 16.3623 k = 0.2237 0.0402 0.0690 ( 2323 PWs) bands (ev): -9.7134 -9.7134 -7.2759 -7.2759 -3.9938 -3.9938 -3.7346 -3.7346 -2.7006 -2.7006 -2.3117 -2.3117 -1.5320 -1.5320 0.2874 0.2874 1.2550 1.2550 2.2987 2.2987 2.7832 2.7832 3.8948 3.8948 4.3599 4.3599 4.7720 4.7720 5.8617 5.8617 8.5255 8.5255 9.1088 9.1088 9.5354 9.5354 10.1631 10.1631 10.6717 10.6717 11.9504 11.9504 12.3561 12.3561 13.1145 13.1145 14.4785 14.4785 15.0751 15.0751 15.3425 15.3425 15.7096 15.7096 16.3304 16.3304 k = 0.2368 0.0426 0.0731 ( 2323 PWs) bands (ev): -9.6849 -9.6849 -7.3378 -7.3378 -3.9706 -3.9706 -3.7305 -3.7305 -2.6996 -2.6996 -2.2885 -2.2885 -1.5493 -1.5493 0.3086 0.3086 1.1721 1.1721 2.3860 2.3860 2.7706 2.7706 3.8618 3.8618 4.3277 4.3277 4.7733 4.7733 5.9337 5.9337 8.5607 8.5607 9.0891 9.0891 9.5311 9.5311 10.1151 10.1151 10.7395 10.7395 11.9678 11.9678 12.3774 12.3774 13.1533 13.1533 14.4781 14.4781 15.1096 15.1096 15.3155 15.3155 15.6961 15.6961 16.2967 16.2967 k = 0.2500 0.0450 0.0771 ( 2325 PWs) bands (ev): -9.6550 -9.6550 -7.4006 -7.4006 -3.9495 -3.9495 -3.7256 -3.7256 -2.7004 -2.7004 -2.2607 -2.2607 -1.5677 -1.5677 0.3309 0.3309 1.0925 1.0925 2.4682 2.4682 2.7638 2.7638 3.8247 3.8247 4.2918 4.2918 4.7703 4.7703 6.0174 6.0174 8.5983 8.5983 9.0607 9.0607 9.5165 9.5165 10.0782 10.0782 10.8128 10.8128 11.9722 11.9722 12.4149 12.4149 13.1896 13.1896 14.4769 14.4769 15.1359 15.1359 15.2941 15.2941 15.6829 15.6829 16.2612 16.2612 k = 0.2632 0.0473 0.0812 ( 2327 PWs) bands (ev): -9.6237 -9.6237 -7.4638 -7.4638 -3.9307 -3.9307 -3.7198 -3.7198 -2.7026 -2.7026 -2.2290 -2.2290 -1.5864 -1.5864 0.3514 0.3514 1.0191 1.0191 2.5402 2.5402 2.7669 2.7669 3.7842 3.7842 4.2535 4.2535 4.7636 4.7636 6.1107 6.1107 8.6364 8.6364 9.0266 9.0266 9.4898 9.4898 10.0547 10.0547 10.8884 10.8884 11.9657 11.9657 12.4678 12.4678 13.2234 13.2234 14.4749 14.4749 15.1434 15.1434 15.2889 15.2889 15.6699 15.6699 16.2242 16.2242 k = 0.2763 0.0497 0.0853 ( 2326 PWs) bands (ev): -9.5911 -9.5911 -7.5272 -7.5272 -3.9143 -3.9143 -3.7130 -3.7130 -2.7056 -2.7056 -2.1945 -2.1945 -1.6044 -1.6044 0.3655 0.3655 0.9563 0.9563 2.5931 2.5931 2.7875 2.7875 3.7418 3.7418 4.2134 4.2134 4.7541 4.7541 6.2118 6.2118 8.6719 8.6719 8.9910 8.9910 9.4529 9.4529 10.0426 10.0426 10.9635 10.9635 11.9530 11.9530 12.5332 12.5332 13.2547 13.2547 14.4719 14.4719 15.1257 15.1257 15.3059 15.3059 15.6570 15.6570 16.1855 16.1855 k = 0.2895 0.0521 0.0893 ( 2327 PWs) bands (ev): -9.5574 -9.5574 -7.5908 -7.5908 -3.9003 -3.9003 -3.7054 -3.7054 -2.7092 -2.7092 -2.1582 -2.1582 -1.6205 -1.6205 0.3671 0.3671 0.9101 0.9101 2.6200 2.6200 2.8305 2.8305 3.6997 3.6997 4.1720 4.1720 4.7428 4.7428 6.3190 6.3190 8.6990 8.6990 8.9596 8.9596 9.4099 9.4099 10.0378 10.0378 11.0345 11.0345 11.9402 11.9402 12.6079 12.6079 13.2836 13.2836 14.4681 14.4681 15.0904 15.0904 15.3368 15.3368 15.6443 15.6443 16.1453 16.1453 k = 0.3026 0.0545 0.0934 ( 2326 PWs) bands (ev): -9.5224 -9.5224 -7.6542 -7.6542 -3.8885 -3.8885 -3.6971 -3.6971 -2.7131 -2.7131 -2.1217 -2.1217 -1.6333 -1.6333 0.3499 0.3499 0.8865 0.8865 2.6268 2.6268 2.8876 2.8876 3.6607 3.6607 4.1295 4.1295 4.7300 4.7300 6.4309 6.4309 8.7087 8.7087 8.9405 8.9405 9.3668 9.3668 10.0359 10.0359 11.0965 11.0965 11.9341 11.9341 12.6897 12.6897 13.3102 13.3102 14.4633 14.4633 15.0455 15.0455 15.3734 15.3734 15.6318 15.6318 16.1034 16.1034 k = 0.3158 0.0568 0.0974 ( 2324 PWs) bands (ev): -9.4864 -9.4864 -7.7173 -7.7173 -3.8788 -3.8788 -3.6884 -3.6884 -2.7169 -2.7169 -2.0870 -2.0870 -1.6408 -1.6408 0.3113 0.3113 0.8880 0.8880 2.6222 2.6222 2.9466 2.9466 3.6285 3.6285 4.0863 4.0863 4.7161 4.7161 6.5459 6.5459 8.6944 8.6944 8.9373 8.9373 9.3305 9.3305 10.0330 10.0330 11.1436 11.1436 11.9420 11.9420 12.7770 12.7770 13.3345 13.3345 14.4575 14.4575 14.9944 14.9944 15.4116 15.4116 15.6194 15.6194 16.0597 16.0597 k = 0.3289 0.0592 0.1015 ( 2322 PWs) bands (ev): -9.4496 -9.4496 -7.7798 -7.7798 -3.8709 -3.8709 -3.6794 -3.6794 -2.7204 -2.7204 -2.0562 -2.0562 -1.6406 -1.6406 0.2542 0.2542 0.9114 0.9114 2.6104 2.6104 2.9990 2.9990 3.6078 3.6078 4.0424 4.0424 4.7012 4.7012 6.6631 6.6631 8.6601 8.6601 8.9412 8.9412 9.3087 9.3087 10.0268 10.0268 11.1700 11.1700 11.9706 11.9706 12.8685 12.8685 13.3566 13.3566 14.4504 14.4504 14.9384 14.9384 15.4484 15.4484 15.6079 15.6079 16.0137 16.0137 k = 0.3421 0.0616 0.1056 ( 2322 PWs) bands (ev): -9.4119 -9.4119 -7.8415 -7.8415 -3.8644 -3.8644 -3.6704 -3.6704 -2.7237 -2.7237 -2.0319 -2.0319 -1.6302 -1.6302 0.1839 0.1839 0.9514 0.9514 2.5923 2.5923 3.0394 3.0394 3.6032 3.6032 3.9984 3.9984 4.6851 4.6851 6.7813 6.7813 8.6142 8.6142 8.9395 8.9395 9.3078 9.3078 10.0160 10.0160 11.1726 11.1726 12.0234 12.0234 12.9635 12.9635 13.3766 13.3766 14.4417 14.4417 14.8782 14.8782 15.4798 15.4798 15.5996 15.5996 15.9649 15.9649 k = 0.3553 0.0639 0.1096 ( 2324 PWs) bands (ev): -9.3737 -9.3737 -7.9022 -7.9022 -3.8593 -3.8593 -3.6616 -3.6616 -2.7265 -2.7265 -2.0158 -2.0158 -1.6079 -1.6079 0.1050 0.1050 1.0030 1.0030 2.5674 2.5674 3.0655 3.0655 3.6177 3.6177 3.9546 3.9546 4.6677 4.6677 6.8994 6.8994 8.5625 8.5625 8.9269 8.9269 9.3288 9.3288 10.0002 10.0002 11.1526 11.1526 12.0995 12.0995 13.0612 13.0612 13.3946 13.3946 14.4306 14.4306 14.8147 14.8147 15.4963 15.4963 15.6014 15.6014 15.9133 15.9133 k = 0.3684 0.0663 0.1137 ( 2326 PWs) bands (ev): -9.3351 -9.3351 -7.9615 -7.9615 -3.8551 -3.8551 -3.6532 -3.6532 -2.7289 -2.7289 -2.0079 -2.0079 -1.5735 -1.5735 0.0210 0.0210 1.0627 1.0627 2.5350 2.5350 3.0788 3.0788 3.6503 3.6503 3.9115 3.9115 4.6485 4.6485 7.0164 7.0164 8.5079 8.5079 8.9065 8.9065 9.3656 9.3656 9.9807 9.9807 11.1140 11.1140 12.1948 12.1948 13.1613 13.1613 13.4108 13.4108 14.4158 14.4158 14.7489 14.7489 15.4879 15.4879 15.6200 15.6200 15.8597 15.8597 k = 0.3816 0.0687 0.1177 ( 2327 PWs) bands (ev): -9.2964 -9.2964 -8.0191 -8.0191 -3.8518 -3.8518 -3.6455 -3.6455 -2.7308 -2.7308 -2.0070 -2.0070 -1.5283 -1.5283 -0.0662 -0.0662 1.1285 1.1285 2.4945 2.4945 3.0838 3.0838 3.6963 3.6963 3.8705 3.8705 4.6274 4.6274 7.1312 7.1312 8.4518 8.4518 8.8841 8.8841 9.4100 9.4100 9.9599 9.9599 11.0613 11.0613 12.3046 12.3046 13.2630 13.2630 13.4254 13.4254 14.3950 14.3950 14.6829 14.6829 15.4559 15.4559 15.6490 15.6490 15.8069 15.8069 k = 0.3947 0.0710 0.1218 ( 2325 PWs) bands (ev): -9.2581 -9.2581 -8.0745 -8.0745 -3.8492 -3.8492 -3.6383 -3.6383 -2.7323 -2.7323 -2.0109 -2.0109 -1.4743 -1.4743 -0.1552 -0.1552 1.1987 1.1987 2.4458 2.4458 3.0852 3.0852 3.7473 3.7473 3.8355 3.8355 4.6038 4.6038 7.2428 7.2428 8.3952 8.3952 8.8643 8.8643 9.4537 9.4537 9.9422 9.9422 10.9983 10.9983 12.4250 12.4250 13.3655 13.3655 13.4390 13.4390 14.3639 14.3639 14.6202 14.6202 15.4033 15.4033 15.6801 15.6801 15.7605 15.7605 k = 0.4079 0.0734 0.1259 ( 2329 PWs) bands (ev): -9.2206 -9.2206 -8.1272 -8.1272 -3.8471 -3.8471 -3.6320 -3.6320 -2.7333 -2.7333 -2.0178 -2.0178 -1.4134 -1.4134 -0.2450 -0.2450 1.2723 1.2723 2.3894 2.3894 3.0863 3.0863 3.7672 3.7672 3.8391 3.8391 4.5775 4.5775 7.3501 7.3501 8.3383 8.3383 8.8503 8.8503 9.4875 9.4875 9.9348 9.9348 10.9276 10.9276 12.5527 12.5527 13.4438 13.4438 13.4765 13.4765 14.3174 14.3174 14.5655 14.5655 15.3317 15.3317 15.7031 15.7031 15.7304 15.7304 k = 0.4211 0.0758 0.1299 ( 2328 PWs) bands (ev): -9.1845 -9.1845 -8.1766 -8.1766 -3.8455 -3.8455 -3.6264 -3.6264 -2.7340 -2.7340 -2.0260 -2.0260 -1.3472 -1.3472 -0.3351 -0.3351 1.3485 1.3485 2.3264 2.3264 3.0888 3.0888 3.7405 3.7405 3.8945 3.8945 4.5484 4.5484 7.4521 7.4521 8.2815 8.2815 8.8437 8.8437 9.5030 9.5030 9.9458 9.9458 10.8513 10.8513 12.6850 12.6850 13.4573 13.4573 13.5781 13.5781 14.2524 14.2524 14.5208 14.5208 15.2461 15.2461 15.6889 15.6889 15.7442 15.7442 k = 0.4342 0.0781 0.1340 ( 2328 PWs) bands (ev): -9.1506 -9.1506 -8.2217 -8.2217 -3.8442 -3.8442 -3.6217 -3.6217 -2.7344 -2.7344 -2.0343 -2.0343 -1.2769 -1.2769 -0.4248 -0.4248 1.4265 1.4265 2.2580 2.2580 3.0929 3.0929 3.7093 3.7093 3.9581 3.9581 4.5161 4.5161 7.5480 7.5480 8.2249 8.2249 8.8452 8.8452 9.4968 9.4968 9.9793 9.9793 10.7709 10.7709 12.8196 12.8196 13.4668 13.4668 13.6827 13.6827 14.1701 14.1701 14.4835 14.4835 15.1541 15.1541 15.6707 15.6707 15.7655 15.7655 k = 0.4474 0.0805 0.1380 ( 2331 PWs) bands (ev): -9.1200 -9.1200 -8.2616 -8.2616 -3.8432 -3.8432 -3.6178 -3.6178 -2.7346 -2.7346 -2.0421 -2.0421 -1.2035 -1.2035 -0.5136 -0.5136 1.5055 1.5055 2.1858 2.1858 3.0982 3.0982 3.6808 3.6808 4.0217 4.0217 4.4809 4.4809 7.6372 7.6372 8.1684 8.1684 8.8541 8.8541 9.4732 9.4732 10.0327 10.0327 10.6875 10.6875 12.9535 12.9535 13.4760 13.4760 13.7867 13.7867 14.0750 14.0750 14.4476 14.4476 15.0642 15.0642 15.6576 15.6576 15.7822 15.7822 k = 0.4605 0.0829 0.1421 ( 2331 PWs) bands (ev): -9.0940 -9.0940 -8.2949 -8.2949 -3.8425 -3.8425 -3.6147 -3.6147 -2.7347 -2.7347 -2.0487 -2.0487 -1.1280 -1.1280 -0.6008 -0.6008 1.5845 1.5845 2.1114 2.1114 3.1038 3.1038 3.6570 3.6570 4.0827 4.0827 4.4433 4.4433 7.7196 7.7196 8.1116 8.1116 8.8685 8.8685 9.4408 9.4408 10.0999 10.0999 10.6021 10.6021 13.0829 13.0829 13.4865 13.4865 13.8879 13.8879 13.9719 13.9719 14.4074 14.4074 14.9845 14.9845 15.6485 15.6485 15.7938 15.7938 k = 0.4737 0.0852 0.1462 ( 2329 PWs) bands (ev): -9.0738 -9.0738 -8.3201 -8.3201 -3.8420 -3.8420 -3.6126 -3.6126 -2.7347 -2.7347 -2.0537 -2.0537 -1.0520 -1.0520 -0.6851 -0.6851 1.6613 1.6613 2.0375 2.0375 3.1089 3.1089 3.6389 3.6389 4.1385 4.1385 4.4049 4.4049 7.7952 7.7952 8.0543 8.0543 8.8849 8.8849 9.4085 9.4085 10.1759 10.1759 10.5155 10.5155 13.1997 13.1997 13.5026 13.5026 13.8629 13.8629 13.9865 13.9865 14.3589 14.3589 14.9224 14.9224 15.6425 15.6425 15.8009 15.8009 k = 0.4868 0.0876 0.1502 ( 2328 PWs) bands (ev): -9.0611 -9.0611 -8.3360 -8.3360 -3.8417 -3.8417 -3.6112 -3.6112 -2.7347 -2.7347 -2.0567 -2.0567 -0.9805 -0.9805 -0.7614 -0.7614 1.7293 1.7293 1.9711 1.9711 3.1124 3.1124 3.6277 3.6277 4.1834 4.1834 4.3706 4.3706 7.8642 7.8642 7.9963 7.9963 8.8981 8.8981 9.3846 9.3846 10.2572 10.2572 10.4287 10.4287 13.2864 13.2864 13.5321 13.5321 13.7622 13.7622 14.0708 14.0708 14.3050 14.3050 14.8834 14.8834 15.6392 15.6392 15.8047 15.8047 k = 0.5000 0.0900 0.1543 ( 2328 PWs) bands (ev): -9.0567 -9.0567 -8.3415 -8.3415 -3.8416 -3.8416 -3.6108 -3.6108 -2.7347 -2.7347 -2.0578 -2.0578 -0.9407 -0.9407 -0.8028 -0.8028 1.7631 1.7631 1.9378 1.9378 3.1136 3.1136 3.6238 3.6238 4.2030 4.2030 4.3546 4.3546 7.9144 7.9144 7.9497 7.9497 8.9033 8.9033 9.3757 9.3757 10.3361 10.3361 10.3482 10.3482 13.3185 13.3185 13.5602 13.5602 13.7071 13.7071 14.1133 14.1133 14.2728 14.2728 14.8702 14.8702 15.6381 15.6381 15.8058 15.8058 k = 0.5000-0.4176-0.1731 ( 2348 PWs) bands (ev): -8.0228 -8.0228 -7.9343 -7.9343 -6.6688 -6.6688 -5.5436 -5.5436 -1.6804 -1.6804 -0.9215 -0.9215 0.5920 0.5920 1.4080 1.4080 1.5526 1.5526 2.1661 2.1661 2.5999 2.5999 2.6495 2.6495 3.2846 3.2846 3.9806 3.9806 7.8296 7.8296 8.2345 8.2345 9.7845 9.7845 9.9702 9.9702 10.2253 10.2253 10.5859 10.5859 11.2560 11.2560 11.9562 11.9562 13.8047 13.8047 14.1431 14.1431 14.9112 14.9112 14.9781 14.9781 16.1483 16.1483 16.7444 16.7444 k = 0.4896-0.4089-0.1695 ( 2344 PWs) bands (ev): -8.0539 -8.0539 -7.9048 -7.9048 -6.6670 -6.6670 -5.5402 -5.5402 -1.6837 -1.6837 -0.9179 -0.9179 0.5816 0.5816 1.3994 1.3994 1.5608 1.5608 2.1673 2.1673 2.5284 2.5284 2.7298 2.7298 3.2765 3.2765 3.9911 3.9911 7.8091 7.8091 8.2557 8.2557 9.7820 9.7820 9.9476 9.9476 10.2158 10.2158 10.6041 10.6041 11.2731 11.2731 11.9557 11.9557 13.7837 13.7837 14.1587 14.1587 14.8879 14.8879 14.9929 14.9929 16.1385 16.1385 16.7287 16.7287 k = 0.4792-0.4002-0.1659 ( 2342 PWs) bands (ev): -8.1092 -8.1092 -7.8540 -7.8540 -6.6619 -6.6619 -5.5300 -5.5300 -1.6934 -1.6934 -0.9073 -0.9073 0.5516 0.5516 1.3744 1.3744 1.5841 1.5841 2.1699 2.1699 2.4457 2.4457 2.8386 2.8386 3.2546 3.2546 4.0204 4.0204 7.7570 7.7570 8.3101 8.3101 9.7749 9.7749 9.8813 9.8813 10.1995 10.1995 10.6463 10.6463 11.3228 11.3228 11.9544 11.9544 13.7311 13.7311 14.1934 14.1934 14.8431 14.8431 15.0139 15.0139 16.1085 16.1085 16.6927 16.6927 k = 0.4688-0.3915-0.1623 ( 2340 PWs) bands (ev): -8.1696 -8.1696 -7.8010 -7.8010 -6.6533 -6.6533 -5.5131 -5.5131 -1.7091 -1.7091 -0.8904 -0.8904 0.5047 0.5047 1.3352 1.3352 1.6196 1.6196 2.1718 2.1718 2.3710 2.3710 2.9557 2.9557 3.2248 3.2248 4.0640 4.0640 7.6878 7.6878 8.3830 8.3830 9.7629 9.7629 9.7807 9.7807 10.1892 10.1892 10.6942 10.6942 11.3999 11.3999 11.9536 11.9536 13.6629 13.6629 14.2269 14.2269 14.7938 14.7938 15.0292 15.0292 16.0581 16.0581 16.6551 16.6551 k = 0.4583-0.3828-0.1587 ( 2337 PWs) bands (ev): -8.2320 -8.2320 -7.7491 -7.7491 -6.6412 -6.6412 -5.4895 -5.4895 -1.7299 -1.7299 -0.8681 -0.8681 0.4443 0.4443 1.2843 1.2843 1.6641 1.6641 2.1688 2.1688 2.3053 2.3053 3.0782 3.0782 3.1954 3.1954 4.1169 4.1169 7.6104 7.6104 8.4656 8.4656 9.6577 9.6577 9.7475 9.7475 10.1857 10.1857 10.7399 10.7399 11.4951 11.4951 11.9560 11.9560 13.5884 13.5884 14.2437 14.2437 14.7462 14.7462 15.0400 15.0400 15.9900 15.9900 16.6270 16.6270 k = 0.4479-0.3741-0.1551 ( 2334 PWs) bands (ev): -8.2954 -8.2954 -7.6990 -7.6990 -6.6257 -6.6257 -5.4594 -5.4594 -1.7551 -1.7551 -0.8414 -0.8414 0.3737 0.3737 1.2245 1.2245 1.7147 1.7147 2.1545 2.1545 2.2514 2.2514 3.1560 3.1560 3.2215 3.2215 4.1749 4.1749 7.5290 7.5290 8.5534 8.5534 9.5231 9.5231 9.7279 9.7279 10.1869 10.1869 10.7823 10.7823 11.5939 11.5939 11.9692 11.9692 13.5121 13.5121 14.2347 14.2347 14.7010 14.7010 15.0503 15.0503 15.9113 15.9113 16.6103 16.6103 k = 0.4375-0.3654-0.1515 ( 2331 PWs) bands (ev): -8.3593 -8.3593 -7.6512 -7.6512 -6.6066 -6.6066 -5.4227 -5.4227 -1.7839 -1.7839 -0.8117 -0.8117 0.2957 0.2957 1.1582 1.1582 1.7689 1.7689 2.1203 2.1203 2.2143 2.2143 3.1444 3.1444 3.3517 3.3517 4.2349 4.2349 7.4456 7.4456 8.6442 8.6442 9.3819 9.3819 9.7050 9.7050 10.1912 10.1912 10.8222 10.8222 11.6743 11.6743 12.0093 12.0093 13.4361 13.4361 14.1989 14.1989 14.6545 14.6545 15.0614 15.0614 15.8331 15.8331 16.6023 16.6023 k = 0.4271-0.3567-0.1479 ( 2329 PWs) bands (ev): -8.4235 -8.4235 -7.6059 -7.6059 -6.5841 -6.5841 -5.3799 -5.3799 -1.8156 -1.8156 -0.7801 -0.7801 0.2126 0.2126 1.0878 1.0878 1.8241 1.8241 2.0682 2.0682 2.1903 2.1903 3.1404 3.1404 3.4909 3.4909 4.2948 4.2948 7.3612 7.3612 8.7366 8.7366 9.2377 9.2377 9.6794 9.6794 10.1978 10.1978 10.8611 10.8611 11.7150 11.7150 12.0931 12.0931 13.3611 13.3611 14.1415 14.1415 14.6014 14.6014 15.0671 15.0671 15.7696 15.7696 16.5991 16.5991 k = 0.4167-0.3480-0.1442 ( 2329 PWs) bands (ev): -8.4876 -8.4876 -7.5630 -7.5630 -6.5582 -6.5582 -5.3309 -5.3309 -1.8498 -1.8498 -0.7479 -0.7479 0.1264 0.1264 1.0151 1.0151 1.8743 1.8743 2.0107 2.0107 2.1710 2.1710 3.1495 3.1495 3.6338 3.6338 4.3533 4.3533 7.2764 7.2764 8.8279 8.8279 9.0945 9.0945 9.6514 9.6514 10.2064 10.2064 10.8995 10.8995 11.7190 11.7190 12.2146 12.2146 13.2873 13.2873 14.0693 14.0693 14.5401 14.5401 15.0548 15.0548 15.7363 15.7363 16.5974 16.5974 k = 0.4062-0.3393-0.1406 ( 2324 PWs) bands (ev): -8.5515 -8.5515 -7.5227 -7.5227 -6.5290 -6.5290 -5.2760 -5.2760 -1.8859 -1.8859 -0.7166 -0.7166 0.0390 0.0390 0.9421 0.9421 1.8824 1.8824 1.9873 1.9873 2.1536 2.1536 3.1713 3.1713 3.7786 3.7786 4.4097 4.4097 7.1915 7.1915 8.8896 8.8896 8.9816 8.9816 9.6216 9.6216 10.2166 10.2166 10.9378 10.9378 11.7015 11.7015 12.3566 12.3566 13.2142 13.2142 13.9870 13.9870 14.4724 14.4724 15.0149 15.0149 15.7426 15.7426 16.5947 16.5947 k = 0.3958-0.3306-0.1370 ( 2324 PWs) bands (ev): -8.6150 -8.6150 -7.4848 -7.4848 -6.4965 -6.4965 -5.2154 -5.2154 -1.9238 -1.9238 -0.6879 -0.6879 -0.0479 -0.0479 0.8700 0.8700 1.8183 1.8183 2.0288 2.0288 2.1383 2.1383 3.2044 3.2044 3.9234 3.9234 4.4643 4.4643 7.1067 7.1067 8.7835 8.7835 9.0376 9.0376 9.5904 9.5904 10.2285 10.2285 10.9760 10.9760 11.6720 11.6720 12.5082 12.5082 13.1412 13.1412 13.8974 13.8974 14.4011 14.4011 14.9505 14.9505 15.7853 15.7853 16.5901 16.5901 k = 0.3854-0.3219-0.1334 ( 2326 PWs) bands (ev): -8.6779 -8.6779 -7.4492 -7.4492 -6.4608 -6.4608 -5.1495 -5.1495 -1.9633 -1.9633 -0.6640 -0.6640 -0.1323 -0.1323 0.8003 0.8003 1.7326 1.7326 2.0851 2.0851 2.1262 2.1262 3.2468 3.2468 4.0650 4.0650 4.5188 4.5188 7.0221 7.0221 8.6421 8.6421 9.1304 9.1304 9.5582 9.5582 10.2418 10.2418 11.0135 11.0135 11.6359 11.6359 12.6628 12.6628 13.0683 13.0683 13.8018 13.8018 14.3287 14.3287 14.8732 14.8732 15.8533 15.8533 16.5838 16.5838 k = 0.3750-0.3132-0.1298 ( 2327 PWs) bands (ev): -8.7401 -8.7401 -7.4156 -7.4156 -6.4223 -6.4223 -5.0785 -5.0785 -2.0043 -2.0043 -0.6479 -0.6479 -0.2114 -0.2114 0.7342 0.7342 1.6392 1.6392 2.1130 2.1130 2.1488 2.1488 3.2965 3.2965 4.1977 4.1977 4.5776 4.5776 6.9376 6.9376 8.4999 8.4999 9.2256 9.2256 9.5257 9.5257 10.2566 10.2566 11.0495 11.0495 11.5966 11.5966 12.8116 12.8116 12.9997 12.9997 13.7012 13.7012 14.2557 14.2557 14.7956 14.7956 15.9351 15.9351 16.5773 16.5773 k = 0.3646-0.3045-0.1262 ( 2326 PWs) bands (ev): -8.8014 -8.8014 -7.3838 -7.3838 -6.3809 -6.3809 -5.0027 -5.0027 -2.0469 -2.0469 -0.6438 -0.6438 -0.2819 -0.2819 0.6728 0.6728 1.5417 1.5417 2.1073 2.1073 2.2093 2.2093 3.3517 3.3517 4.3113 4.3113 4.6501 4.6501 6.8533 6.8533 8.3592 8.3592 9.3195 9.3195 9.4945 9.4945 10.2726 10.2726 11.0820 11.0820 11.5576 11.5576 12.8774 12.8774 13.0081 13.0081 13.5974 13.5974 14.1817 14.1817 14.7280 14.7280 16.0209 16.0209 16.5740 16.5740 k = 0.3542-0.2958-0.1226 ( 2325 PWs) bands (ev): -8.8618 -8.8618 -7.3536 -7.3536 -6.3369 -6.3369 -4.9224 -4.9224 -2.0910 -2.0910 -0.6562 -0.6562 -0.3401 -0.3401 0.6169 0.6169 1.4427 1.4427 2.1039 2.1039 2.2713 2.2713 3.4110 3.4110 4.3939 4.3939 4.7469 4.7469 6.7691 6.7691 8.2212 8.2212 9.4003 9.4003 9.4760 9.4760 10.2898 10.2898 11.1082 11.1082 11.5235 11.5235 12.8116 12.8116 13.1339 13.1339 13.4961 13.4961 14.1062 14.1062 14.6777 14.6777 16.1010 16.1010 16.5802 16.5802 k = 0.3438-0.2871-0.1190 ( 2324 PWs) bands (ev): -8.9211 -8.9211 -7.3247 -7.3247 -6.2904 -6.2904 -4.8379 -4.8379 -2.1368 -2.1368 -0.6873 -0.6873 -0.3845 -0.3845 0.5669 0.5669 1.3445 1.3445 2.1036 2.1036 2.3339 2.3339 3.4730 3.4730 4.4432 4.4432 4.8696 4.8696 6.6850 6.6850 8.0863 8.0863 9.4067 9.4067 9.5314 9.5314 10.3082 10.3082 11.1234 11.1234 11.4997 11.4997 12.7287 12.7287 13.2292 13.2292 13.4261 13.4261 14.0332 14.0332 14.6484 14.6484 16.1642 16.1642 16.6050 16.6050 k = 0.3333-0.2784-0.1154 ( 2324 PWs) bands (ev): -8.9792 -8.9792 -7.2969 -7.2969 -6.2416 -6.2416 -4.7497 -4.7497 -2.1845 -2.1845 -0.7344 -0.7344 -0.4185 -0.4185 0.5224 0.5224 1.2500 1.2500 2.1063 2.1063 2.3969 2.3969 3.5366 3.5366 4.4671 4.4671 5.0095 5.0095 6.6009 6.6009 7.9552 7.9552 9.3774 9.3774 9.6216 9.6216 10.3274 10.3274 11.1231 11.1231 11.4920 11.4920 12.6407 12.6407 13.1968 13.1968 13.4612 13.4612 13.9757 13.9757 14.6400 14.6400 16.2013 16.2013 16.6564 16.6564 k = 0.3229-0.2697-0.1118 ( 2323 PWs) bands (ev): -9.0361 -9.0361 -7.2700 -7.2700 -6.1906 -6.1906 -4.6580 -4.6580 -2.2342 -2.2342 -0.7910 -0.7910 -0.4489 -0.4489 0.4815 0.4815 1.1626 1.1626 2.1120 2.1120 2.4603 2.4603 3.6007 3.6007 4.4732 4.4732 5.1583 5.1583 6.5166 6.5166 7.8284 7.8284 9.3444 9.3444 9.7144 9.7144 10.3473 10.3473 11.1059 11.1059 11.5025 11.5025 12.5492 12.5492 13.0981 13.0981 13.5124 13.5124 13.9635 13.9635 14.6504 14.6504 16.2122 16.2122 16.7340 16.7340 k = 0.3125-0.2610-0.1082 ( 2322 PWs) bands (ev): -9.0917 -9.0917 -7.2437 -7.2437 -6.1376 -6.1376 -4.5631 -4.5631 -2.2860 -2.2860 -0.8516 -0.8516 -0.4809 -0.4809 0.4408 0.4408 1.0866 1.0866 2.1206 2.1206 2.5240 2.5240 3.6643 3.6643 4.4660 4.4660 5.3110 5.3110 6.4322 6.4322 7.7067 7.7067 9.3108 9.3108 9.8066 9.8066 10.3675 10.3675 11.0748 11.0748 11.5286 11.5286 12.4552 12.4552 12.9894 12.9894 13.5018 13.5018 14.0211 14.0211 14.6766 14.6766 16.2044 16.2044 16.8298 16.8298 k = 0.3021-0.2523-0.1046 ( 2319 PWs) bands (ev): -9.1459 -9.1459 -7.2178 -7.2178 -6.0826 -6.0826 -4.4656 -4.4656 -2.3400 -2.3400 -0.9125 -0.9125 -0.5173 -0.5173 0.3954 0.3954 1.0270 1.0270 2.1321 2.1321 2.5880 2.5880 3.7260 3.7260 4.4484 4.4484 5.4642 5.4642 6.3474 6.3474 7.5911 7.5911 9.2774 9.2774 9.8972 9.8972 10.3877 10.3877 11.0351 11.0351 11.5653 11.5653 12.3595 12.3595 12.8806 12.8806 13.4428 13.4428 14.1281 14.1281 14.7157 14.7157 16.1858 16.1858 16.9351 16.9351 k = 0.2917-0.2436-0.1010 ( 2325 PWs) bands (ev): -9.1986 -9.1986 -7.1922 -7.1922 -6.0258 -6.0258 -4.3658 -4.3658 -2.3964 -2.3964 -0.9716 -0.9716 -0.5587 -0.5587 0.3404 0.3404 0.9879 0.9879 2.1464 2.1464 2.6523 2.6523 3.7842 3.7842 4.4225 4.4225 5.6156 5.6156 6.2621 6.2621 7.4826 7.4826 9.2443 9.2443 9.9852 9.9852 10.4073 10.4073 10.9913 10.9913 11.6078 11.6078 12.2640 12.2640 12.7748 12.7748 13.3642 13.3642 14.2544 14.2544 14.7657 14.7657 16.1616 16.1616 17.0435 17.0435 k = 0.2812-0.2349-0.0974 ( 2326 PWs) bands (ev): -9.2499 -9.2499 -7.1669 -7.1669 -5.9672 -5.9672 -4.2639 -4.2639 -2.4551 -2.4551 -1.0279 -1.0279 -0.6044 -0.6044 0.2735 0.2735 0.9709 0.9709 2.1633 2.1633 2.7167 2.7167 3.8366 3.8366 4.3911 4.3911 5.7625 5.7625 6.1763 6.1763 7.3831 7.3831 9.2119 9.2119 10.0700 10.0700 10.4256 10.4256 10.9464 10.9464 11.6512 11.6512 12.1720 12.1720 12.6735 12.6735 13.2810 13.2810 14.3847 14.3847 14.8250 14.8250 16.1353 16.1353 17.1492 17.1492 k = 0.2708-0.2262-0.0938 ( 2325 PWs) bands (ev): -9.2996 -9.2996 -7.1415 -7.1415 -5.9070 -5.9070 -4.1606 -4.1606 -2.5161 -2.5161 -1.0811 -1.0811 -0.6530 -0.6530 0.1952 0.1952 0.9744 0.9744 2.1829 2.1829 2.7813 2.7813 3.8791 3.8791 4.3582 4.3582 5.9019 5.9019 6.0900 6.0900 7.2951 7.2951 9.1802 9.1802 10.1505 10.1505 10.4415 10.4415 10.9033 10.9033 11.6877 11.6877 12.0909 12.0909 12.5772 12.5772 13.1999 13.1999 14.5111 14.5111 14.8930 14.8930 16.1090 16.1090 17.2448 17.2448 k = 0.2604-0.2175-0.0902 ( 2321 PWs) bands (ev): -9.3477 -9.3477 -7.1161 -7.1161 -5.8452 -5.8452 -4.0561 -4.0561 -2.5791 -2.5791 -1.1314 -1.1314 -0.7029 -0.7029 0.1080 0.1080 0.9948 0.9948 2.2052 2.2052 2.8459 2.8459 3.9053 3.9053 4.3304 4.3304 5.9999 5.9999 6.0324 6.0324 7.2225 7.2225 9.1494 9.1494 10.2251 10.2251 10.4536 10.4536 10.8643 10.8643 11.7030 11.7030 12.0357 12.0357 12.4866 12.4866 13.1243 13.1243 14.6282 14.6282 14.9699 14.9699 16.0844 16.0844 17.3186 17.3186 k = 0.2500-0.2088-0.0865 ( 2321 PWs) bands (ev): -9.3941 -9.3941 -7.0906 -7.0906 -5.7818 -5.7818 -3.9509 -3.9509 -2.6440 -2.6440 -1.1799 -1.1799 -0.7518 -0.7518 0.0149 0.0149 1.0283 1.0283 2.2299 2.2299 2.9104 2.9104 3.9071 3.9071 4.3160 4.3160 5.9140 5.9140 6.1398 6.1398 7.1711 7.1711 9.1195 9.1195 10.2912 10.2912 10.4606 10.4606 10.8326 10.8326 11.6805 11.6805 12.0237 12.0237 12.4021 12.4021 13.0562 13.0562 14.7318 14.7318 15.0561 15.0561 16.0625 16.0625 17.3580 17.3580 k = 0.2396-0.2001-0.0829 ( 2318 PWs) bands (ev): -9.4389 -9.4389 -7.0650 -7.0650 -5.7171 -5.7171 -3.8456 -3.8456 -2.7104 -2.7104 -1.2280 -1.2280 -0.7974 -0.7974 -0.0815 -0.0815 1.0717 1.0717 2.2571 2.2571 2.9746 2.9746 3.8792 3.8792 4.3203 4.3203 5.8255 5.8255 6.2232 6.2232 7.1483 7.1483 9.0907 9.0907 10.3443 10.3443 10.4617 10.4617 10.8117 10.8117 11.6253 11.6253 12.0499 12.0499 12.3260 12.3260 12.9970 12.9970 14.8194 14.8194 15.1512 15.1512 16.0443 16.0443 17.3610 17.3610 k = 0.2292-0.1914-0.0793 ( 2320 PWs) bands (ev): -9.4820 -9.4820 -7.0392 -7.0392 -5.6509 -5.6509 -3.7406 -3.7406 -2.7780 -2.7780 -1.2774 -1.2774 -0.8371 -0.8371 -0.1792 -0.1792 1.1224 1.1224 2.2868 2.2868 3.0382 3.0382 3.8240 3.8240 4.3411 4.3411 5.7363 5.7363 6.2739 6.2739 7.1605 7.1605 9.0630 9.0630 10.3755 10.3755 10.4597 10.4597 10.8057 10.8057 11.5574 11.5574 12.0889 12.0889 12.2658 12.2658 12.9472 12.9472 14.8908 14.8908 15.2526 15.2526 16.0302 16.0302 17.3388 17.3388 k = 0.2188-0.1827-0.0757 ( 2314 PWs) bands (ev): -9.5233 -9.5233 -7.0133 -7.0133 -5.5835 -5.5835 -3.6365 -3.6365 -2.8462 -2.8462 -1.3302 -1.3302 -0.8681 -0.8681 -0.2769 -0.2769 1.1787 1.1787 2.3188 2.3188 3.1009 3.1009 3.7485 3.7485 4.3719 4.3719 5.6467 5.6467 6.2906 6.2906 7.2084 7.2084 9.0366 9.0366 10.3741 10.3741 10.4609 10.4609 10.8171 10.8171 11.4911 11.4911 12.1003 12.1003 12.2506 12.2506 12.9074 12.9074 14.9478 14.9478 15.3566 15.3566 16.0200 16.0200 17.3023 17.3023 k = 0.2083-0.1740-0.0721 ( 2314 PWs) bands (ev): -9.5629 -9.5629 -6.9873 -6.9873 -5.5148 -5.5148 -3.5341 -3.5341 -2.9146 -2.9146 -1.3879 -1.3879 -0.8886 -0.8886 -0.3733 -0.3733 1.2391 1.2391 2.3531 2.3531 3.1620 3.1620 3.6589 3.6589 4.4068 4.4068 5.5571 5.5571 6.2798 6.2798 7.2848 7.2848 9.0116 9.0116 10.3448 10.3448 10.4593 10.4593 10.8447 10.8447 11.4338 11.4338 12.0644 12.0644 12.2943 12.2943 12.8782 12.8782 14.9924 14.9924 15.4597 15.4597 16.0133 16.0133 17.2580 17.2580 k = 0.1979-0.1653-0.0685 ( 2317 PWs) bands (ev): -9.6006 -9.6006 -6.9612 -6.9612 -5.4451 -5.4451 -3.4340 -3.4340 -2.9824 -2.9824 -1.4513 -1.4513 -0.8972 -0.8972 -0.4678 -0.4678 1.3025 1.3025 2.3895 2.3895 3.2194 3.2194 3.5608 3.5608 4.4418 4.4418 5.4681 5.4681 6.2508 6.2508 7.3798 7.3798 8.9879 8.9879 10.2985 10.2985 10.4470 10.4470 10.8847 10.8847 11.3895 11.3895 12.0151 12.0151 12.3599 12.3599 12.8607 12.8607 15.0265 15.0265 15.5588 15.5588 16.0091 16.0091 17.2094 17.2094 k = 0.1875-0.1566-0.0649 ( 2320 PWs) bands (ev): -9.6366 -9.6366 -6.9350 -6.9350 -5.3744 -5.3744 -3.3378 -3.3378 -3.0483 -3.0483 -1.5203 -1.5203 -0.8935 -0.8935 -0.5598 -0.5598 1.3680 1.3680 2.4280 2.4280 3.2657 3.2657 3.4642 3.4642 4.4741 4.4741 5.3805 5.3805 6.2117 6.2117 7.4845 7.4845 8.9658 8.9658 10.2401 10.2401 10.4238 10.4238 10.9322 10.9322 11.3596 11.3596 11.9677 11.9677 12.4284 12.4284 12.8568 12.8568 15.0517 15.0517 15.6516 15.6516 16.0060 16.0060 17.1585 17.1585 k = 0.1771-0.1479-0.0613 ( 2321 PWs) bands (ev): -9.6707 -9.6707 -6.9089 -6.9089 -5.3029 -5.3029 -3.2507 -3.2507 -3.1072 -3.1072 -1.5945 -1.5945 -0.8775 -0.8775 -0.6487 -0.6487 1.4350 1.4350 2.4683 2.4683 3.2594 3.2594 3.4120 3.4120 4.5015 4.5015 5.2955 5.2955 6.1683 6.1683 7.5929 7.5929 8.9452 8.9452 10.1718 10.1718 10.3928 10.3928 10.9835 10.9835 11.3439 11.3439 11.9262 11.9262 12.4912 12.4912 12.8700 12.8700 15.0696 15.0696 15.7355 15.7355 16.0032 16.0032 17.1071 17.1071 k = 0.1667-0.1392-0.0577 ( 2318 PWs) bands (ev): -9.7029 -9.7029 -6.8829 -6.8829 -5.2306 -5.2306 -3.2168 -3.2168 -3.1153 -3.1153 -1.6727 -1.6727 -0.8499 -0.8499 -0.7343 -0.7343 1.5027 1.5027 2.5099 2.5099 3.1676 3.1676 3.4385 3.4385 4.5216 4.5216 5.2145 5.2145 6.1239 6.1239 7.7006 7.7006 8.9264 8.9264 10.0953 10.0953 10.3570 10.3570 11.0365 11.0365 11.3412 11.3412 11.8921 11.8921 12.5418 12.5418 12.9045 12.9045 15.0819 15.0819 15.8068 15.8068 16.0011 16.0011 17.0565 17.0565 k = 0.1562-0.1305-0.0541 ( 2319 PWs) bands (ev): -9.7333 -9.7333 -6.8572 -6.8572 -5.1579 -5.1579 -3.2636 -3.2636 -3.0450 -3.0450 -1.7541 -1.7541 -0.8191 -0.8191 -0.8080 -0.8080 1.5706 1.5706 2.5520 2.5520 3.0488 3.0488 3.4868 3.4868 4.5319 4.5319 5.1397 5.1397 6.0809 6.0809 7.8048 7.8048 8.9092 8.9092 10.0123 10.0123 10.3190 10.3190 11.0896 11.0896 11.3495 11.3495 11.8656 11.8656 12.5768 12.5768 12.9614 12.9614 15.0896 15.0896 15.8584 15.8584 16.0038 16.0038 17.0077 17.0077 k = 0.1458-0.1218-0.0505 ( 2316 PWs) bands (ev): -9.7618 -9.7618 -6.8319 -6.8319 -5.0849 -5.0849 -3.3219 -3.3219 -2.9658 -2.9658 -1.8376 -1.8376 -0.8953 -0.8953 -0.7604 -0.7604 1.6381 1.6381 2.5913 2.5913 2.9253 2.9253 3.5381 3.5381 4.5295 4.5295 5.0739 5.0739 6.0406 6.0406 7.9037 7.9037 8.8939 8.8939 9.9249 9.9249 10.2802 10.2802 11.1423 11.1423 11.3672 11.3672 11.8467 11.8467 12.5982 12.5982 13.0376 13.0376 15.0940 15.0940 15.8798 15.8798 16.0198 16.0198 16.9620 16.9620 k = 0.1354-0.1131-0.0469 ( 2317 PWs) bands (ev): -9.7883 -9.7883 -6.8071 -6.8071 -5.0119 -5.0119 -3.3798 -3.3798 -2.8897 -2.8897 -1.9221 -1.9221 -0.9700 -0.9700 -0.7000 -0.7000 1.7046 1.7046 2.6141 2.6141 2.8149 2.8149 3.5884 3.5884 4.5119 4.5119 5.0195 5.0195 6.0041 6.0041 7.9960 7.9960 8.8803 8.8803 9.8348 9.8348 10.2418 10.2418 11.1943 11.1943 11.3929 11.3929 11.8348 11.8348 12.6099 12.6099 13.1273 13.1273 15.0958 15.0958 15.8717 15.8717 16.0467 16.0467 16.9205 16.9205 k = 0.1250-0.1044-0.0433 ( 2321 PWs) bands (ev): -9.8130 -9.8130 -6.7830 -6.7830 -4.9393 -4.9393 -3.4354 -3.4354 -2.8189 -2.8189 -2.0062 -2.0062 -1.0410 -1.0410 -0.6297 -0.6297 1.7695 1.7695 2.5684 2.5684 2.7715 2.7715 3.6365 3.6365 4.4778 4.4778 4.9779 4.9779 5.9719 5.9719 8.0810 8.0810 8.8685 8.8685 9.7438 9.7438 10.2043 10.2043 11.2456 11.2456 11.4256 11.4256 11.8292 11.8292 12.6152 12.6152 13.2261 13.2261 15.0953 15.0953 15.8457 15.8457 16.0724 16.0724 16.8840 16.8840 k = 0.1146-0.0957-0.0397 ( 2325 PWs) bands (ev): -9.8357 -9.8357 -6.7598 -6.7598 -4.8674 -4.8674 -3.4878 -3.4878 -2.7546 -2.7546 -2.0885 -2.0885 -1.1082 -1.1082 -0.5498 -0.5498 1.8321 1.8321 2.4516 2.4516 2.7986 2.7986 3.6816 3.6816 4.4286 4.4286 4.9481 4.9481 5.9443 5.9443 8.1582 8.1582 8.8583 8.8583 9.6533 9.6533 10.1682 10.1682 11.2958 11.2958 11.4644 11.4644 11.8289 11.8289 12.6158 12.6158 13.3307 13.3307 15.0924 15.0924 15.8096 15.8096 16.0896 16.0896 16.8531 16.8531 k = 0.1042-0.0870-0.0361 ( 2325 PWs) bands (ev): -9.8564 -9.8564 -6.7376 -6.7376 -4.7969 -4.7969 -3.5364 -3.5364 -2.6985 -2.6985 -2.1667 -2.1667 -1.1717 -1.1717 -0.4611 -0.4611 1.8912 1.8912 2.3150 2.3150 2.8460 2.8460 3.7230 3.7230 4.3678 4.3678 4.9274 4.9274 5.9213 5.9213 8.2279 8.2279 8.8496 8.8496 9.5648 9.5648 10.1338 10.1338 11.3445 11.3445 11.5089 11.5089 11.8329 11.8329 12.6125 12.6125 13.4393 13.4393 15.0865 15.0865 15.7678 15.7678 16.0959 16.0959 16.8281 16.8281 k = 0.0938-0.0783-0.0325 ( 2327 PWs) bands (ev): -9.8753 -9.8753 -6.7167 -6.7167 -4.7283 -4.7283 -3.5807 -3.5807 -2.6534 -2.6534 -2.2372 -2.2372 -1.2311 -1.2311 -0.3641 -0.3641 1.9431 1.9431 2.1760 2.1760 2.9002 2.9002 3.7599 3.7599 4.2993 4.2993 4.9125 4.9125 5.9028 5.9028 8.2904 8.2904 8.8419 8.8419 9.4792 9.4792 10.1015 10.1015 11.3906 11.3906 11.5589 11.5589 11.8404 11.8404 12.6052 12.6052 13.5505 13.5505 15.0762 15.0762 15.7238 15.7238 16.0913 16.0913 16.8082 16.8082 k = 0.0833-0.0696-0.0288 ( 2326 PWs) bands (ev): -9.8921 -9.8921 -6.6972 -6.6972 -4.6625 -4.6625 -3.6201 -3.6201 -2.6247 -2.6247 -2.2937 -2.2937 -1.2865 -1.2865 -0.2595 -0.2595 1.9584 1.9584 2.0668 2.0668 2.9581 2.9581 3.7914 3.7914 4.2270 4.2270 4.9012 4.9012 5.8883 5.8883 8.3465 8.3465 8.8349 8.8349 9.3978 9.3978 10.0715 10.0715 11.4331 11.4331 11.6136 11.6136 11.8510 11.8510 12.5937 12.5937 13.6633 13.6633 15.0596 15.0596 15.6809 15.6809 16.0773 16.0773 16.7922 16.7922 k = 0.0729-0.0609-0.0252 ( 2328 PWs) bands (ev): -9.9070 -9.9070 -6.6794 -6.6794 -4.6004 -4.6004 -3.6543 -3.6543 -2.6199 -2.6199 -2.3276 -2.3276 -1.3376 -1.3376 -0.1480 -0.1480 1.8502 1.8502 2.0753 2.0753 3.0185 3.0185 3.8160 3.8160 4.1546 4.1546 4.8919 4.8919 5.8775 5.8775 8.3969 8.3969 8.8280 8.8280 9.3215 9.3215 10.0443 10.0443 11.4713 11.4713 11.6711 11.6711 11.8650 11.8650 12.5779 12.5779 13.7769 13.7769 15.0344 15.0344 15.6426 15.6426 16.0559 16.0559 16.7777 16.7777 k = 0.0625-0.0522-0.0216 ( 2331 PWs) bands (ev): -9.9199 -9.9199 -6.6635 -6.6635 -4.5430 -4.5430 -3.6830 -3.6830 -2.6414 -2.6414 -2.3354 -2.3354 -1.3840 -1.3840 -0.0305 -0.0305 1.7061 1.7061 2.1142 2.1142 3.0809 3.0809 3.8304 3.8304 4.0868 4.0868 4.8839 4.8839 5.8698 5.8698 8.4428 8.4428 8.8204 8.8204 9.2515 9.2515 10.0200 10.0200 11.5047 11.5047 11.7271 11.7271 11.8843 11.8843 12.5573 12.5573 13.8906 13.8906 14.9981 14.9981 15.6116 15.6116 16.0297 16.0297 16.7607 16.7607 k = 0.0521-0.0435-0.0180 ( 2331 PWs) bands (ev): -9.9309 -9.9309 -6.6496 -6.6496 -4.4918 -4.4918 -3.7058 -3.7058 -2.6800 -2.6800 -2.3251 -2.3251 -1.4252 -1.4252 0.0923 0.0923 1.5579 1.5579 2.1517 2.1517 3.1450 3.1450 3.8283 3.8283 4.0313 4.0313 4.8769 4.8769 5.8646 5.8646 8.4851 8.4851 8.8112 8.8112 9.1891 9.1891 9.9990 9.9990 11.5334 11.5334 11.7750 11.7750 11.9132 11.9132 12.5319 12.5319 14.0038 14.0038 14.9496 14.9496 15.5897 15.5897 16.0013 16.0013 16.7335 16.7335 k = 0.0417-0.0348-0.0144 ( 2333 PWs) bands (ev): -9.9398 -9.9398 -6.6380 -6.6380 -4.4478 -4.4478 -3.7229 -3.7229 -2.7237 -2.7237 -2.3073 -2.3073 -1.4606 -1.4606 0.2191 0.2191 1.4098 1.4098 2.1841 2.1841 3.2100 3.2100 3.8014 3.8014 3.9975 3.9975 4.8709 4.8709 5.8612 5.8612 8.5244 8.5244 8.7993 8.7993 9.1359 9.1359 9.9814 9.9814 11.5571 11.5571 11.8082 11.8082 11.9554 11.9554 12.5023 12.5023 14.1157 14.1157 14.8889 14.8889 15.5768 15.5768 15.9733 15.9733 16.6940 16.6940 k = 0.0312-0.0261-0.0108 ( 2333 PWs) bands (ev): -9.9468 -9.9468 -6.6287 -6.6287 -4.4124 -4.4124 -3.7346 -3.7346 -2.7641 -2.7641 -2.2890 -2.2890 -1.4895 -1.4895 0.3485 0.3485 1.2638 1.2638 2.2103 2.2103 3.2749 3.2749 3.7524 3.7524 3.9843 3.9843 4.8661 4.8661 5.8592 5.8592 8.5610 8.5610 8.7841 8.7841 9.0932 9.0932 9.9676 9.9676 11.5758 11.5758 11.8278 11.8278 12.0063 12.0063 12.4696 12.4696 14.2255 14.2255 14.8172 14.8172 15.5710 15.5710 15.9480 15.9480 16.6533 16.6533 k = 0.0208-0.0174-0.0072 ( 2330 PWs) bands (ev): -9.9518 -9.9518 -6.6220 -6.6220 -4.3865 -4.3865 -3.7418 -3.7418 -2.7964 -2.7964 -2.2739 -2.2739 -1.5110 -1.5110 0.4772 0.4772 1.1233 1.1233 2.2295 2.2295 3.3373 3.3373 3.6946 3.6946 3.9814 3.9814 4.8625 4.8625 5.8581 5.8581 8.5941 8.5941 8.7659 8.7659 9.0625 9.0625 9.9576 9.9576 11.5893 11.5893 11.8387 11.8387 12.0564 12.0564 12.4369 12.4369 14.3320 14.3320 14.7369 14.7369 15.5698 15.5698 15.9277 15.9277 16.6206 16.6206 k = 0.0104-0.0087-0.0036 ( 2329 PWs) bands (ev): -9.9548 -9.9548 -6.6180 -6.6180 -4.3707 -4.3707 -3.7455 -3.7455 -2.8170 -2.8170 -2.2640 -2.2640 -1.5243 -1.5243 0.5950 0.5950 0.9984 0.9984 2.2411 2.2411 3.3901 3.3901 3.6424 3.6424 3.9816 3.9816 4.8603 4.8603 5.8575 5.8575 8.6205 8.6205 8.7481 8.7481 9.0442 9.0442 9.9515 9.9515 11.5975 11.5975 11.8442 11.8442 12.0948 12.0948 12.4104 12.4104 14.4319 14.4319 14.6523 14.6523 15.5705 15.5705 15.9144 15.9144 16.5999 16.5999 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k =-0.0104-0.0019 0.0093 ( 2330 PWs) bands (ev): -9.9549 -9.9549 -6.6167 -6.6167 -4.3698 -4.3698 -3.7481 -3.7481 -2.8191 -2.8191 -2.2706 -2.2706 -1.5167 -1.5167 0.6287 0.6287 0.9628 0.9628 2.2459 2.2459 3.4142 3.4142 3.6208 3.6208 3.9779 3.9779 4.8623 4.8623 5.8546 5.8546 8.6018 8.6018 8.7407 8.7407 9.0689 9.0689 9.9526 9.9526 11.5982 11.5982 11.8450 11.8450 12.1076 12.1076 12.4011 12.4011 14.4810 14.4810 14.5968 14.5968 15.5746 15.5746 15.9087 15.9087 16.5989 16.5989 k =-0.0208-0.0037 0.0186 ( 2333 PWs) bands (ev): -9.9523 -9.9523 -6.6170 -6.6170 -4.3828 -4.3828 -3.7524 -3.7524 -2.8048 -2.8048 -2.2985 -2.2985 -1.4824 -1.4824 0.5650 0.5650 1.0278 1.0278 2.2484 2.2484 3.4148 3.4148 3.6280 3.6280 3.9661 3.9661 4.8701 4.8701 5.8465 5.8465 8.5303 8.5303 8.7428 8.7428 9.1439 9.1439 9.9620 9.9620 11.5919 11.5919 11.8422 11.8422 12.1012 12.1012 12.4057 12.4057 14.4430 14.4430 14.6010 14.6010 15.5852 15.5852 15.9053 15.9053 16.6163 16.6163 k =-0.0312-0.0056 0.0280 ( 2336 PWs) bands (ev): -9.9480 -9.9480 -6.6175 -6.6175 -4.4041 -4.4041 -3.7588 -3.7588 -2.7829 -2.7829 -2.3386 -2.3386 -1.4304 -1.4304 0.4875 0.4875 1.1076 1.1076 2.2525 2.2525 3.4155 3.4155 3.6398 3.6398 3.9475 3.9475 4.8822 4.8822 5.8332 5.8332 8.4406 8.4406 8.7455 8.7455 9.2402 9.2402 9.9775 9.9775 11.5816 11.5816 11.8378 11.8378 12.0908 12.0908 12.4130 12.4130 14.3900 14.3900 14.5991 14.5991 15.6024 15.6024 15.8989 15.8989 16.6429 16.6429 k =-0.0417-0.0075 0.0373 ( 2335 PWs) bands (ev): -9.9420 -9.9420 -6.6182 -6.6182 -4.4333 -4.4333 -3.7667 -3.7667 -2.7571 -2.7571 -2.3839 -2.3839 -1.3654 -1.3654 0.4048 0.4048 1.1934 1.1934 2.2582 2.2582 3.4160 3.4160 3.6559 3.6559 3.9236 3.9236 4.8978 4.8978 5.8149 5.8149 8.3435 8.3435 8.7491 8.7491 9.3464 9.3464 9.9988 9.9988 11.5673 11.5673 11.8319 11.8319 12.0769 12.0769 12.4226 12.4226 14.3263 14.3263 14.5895 14.5895 15.6252 15.6252 15.8887 15.8887 16.6740 16.6740 k =-0.0521-0.0094 0.0466 ( 2332 PWs) bands (ev): -9.9342 -9.9342 -6.6191 -6.6191 -4.4699 -4.4699 -3.7753 -3.7753 -2.7344 -2.7344 -2.4248 -2.4248 -1.2912 -1.2912 0.3200 0.3200 1.2821 1.2821 2.2656 2.2656 3.4159 3.4159 3.6761 3.6761 3.8965 3.8965 4.9155 4.9155 5.7921 5.7921 8.2436 8.2436 8.7534 8.7534 9.4577 9.4577 10.0255 10.0255 11.5493 11.5493 11.8251 11.8251 12.0596 12.0596 12.4340 12.4340 14.2537 14.2537 14.5725 14.5725 15.6527 15.6527 15.8740 15.8740 16.7020 16.7020 k =-0.0625-0.0112 0.0559 ( 2332 PWs) bands (ev): -9.9247 -9.9247 -6.6202 -6.6202 -4.5132 -4.5132 -3.7840 -3.7840 -2.7269 -2.7269 -2.4478 -2.4478 -1.2105 -1.2105 0.2346 0.2346 1.3722 1.3722 2.2746 2.2746 3.4143 3.4143 3.6999 3.6999 3.8683 3.8683 4.9343 4.9343 5.7651 5.7651 8.1428 8.1428 8.7585 8.7585 9.5716 9.5716 10.0574 10.0574 11.5276 11.5276 11.8179 11.8179 12.0393 12.0393 12.4470 12.4470 14.1738 14.1738 14.5497 14.5497 15.6834 15.6834 15.8545 15.8545 16.7224 16.7224 k =-0.0729-0.0131 0.0653 ( 2330 PWs) bands (ev): -9.9136 -9.9136 -6.6214 -6.6214 -4.5623 -4.5623 -3.7926 -3.7926 -2.7463 -2.7463 -2.4407 -2.4407 -1.1250 -1.1250 0.1493 0.1493 1.4631 1.4631 2.2852 2.2852 3.4098 3.4098 3.7262 3.7262 3.8425 3.8425 4.9531 4.9531 5.7345 5.7345 8.0421 8.0421 8.7643 8.7643 9.6867 9.6867 10.0938 10.0938 11.5026 11.5026 11.8109 11.8109 12.0163 12.0163 12.4611 12.4611 14.0876 14.0876 14.5227 14.5227 15.7153 15.7153 15.8305 15.8305 16.7372 16.7372 k =-0.0833-0.0150 0.0746 ( 2330 PWs) bands (ev): -9.9007 -9.9007 -6.6228 -6.6228 -4.6165 -4.6165 -3.8008 -3.8008 -2.7905 -2.7905 -2.4054 -2.4054 -1.0360 -1.0360 0.0645 0.0645 1.5542 1.5542 2.2975 2.2975 3.4008 3.4008 3.7517 3.7517 3.8246 3.8246 4.9709 4.9709 5.7008 5.7008 7.9418 7.9418 8.7708 8.7708 9.8017 9.8017 10.1340 10.1340 11.4743 11.4743 11.8050 11.8050 11.9909 11.9909 12.4761 12.4761 13.9959 13.9959 14.4933 14.4933 15.7437 15.7437 15.8058 15.8058 16.7502 16.7502 k =-0.0938-0.0169 0.0839 ( 2325 PWs) bands (ev): -9.8861 -9.8861 -6.6244 -6.6244 -4.6750 -4.6750 -3.8084 -3.8084 -2.8489 -2.8489 -2.3522 -2.3522 -0.9444 -0.9444 -0.0196 -0.0196 1.6452 1.6452 2.3113 2.3113 3.3859 3.3859 3.7661 3.7661 3.8273 3.8273 4.9870 4.9870 5.6647 5.6647 7.8425 7.8425 8.7779 8.7779 9.9154 9.9154 10.1776 10.1776 11.4431 11.4431 11.8011 11.8011 11.9633 11.9633 12.4918 12.4918 13.8994 13.8994 14.4629 14.4629 15.7434 15.7434 15.8046 15.8046 16.7638 16.7638 k =-0.1042-0.0187 0.0932 ( 2327 PWs) bands (ev): -9.8699 -9.8699 -6.6262 -6.6262 -4.7371 -4.7371 -3.8157 -3.8157 -2.9142 -2.9142 -2.2888 -2.2888 -0.8508 -0.8508 -0.1028 -0.1028 1.7359 1.7359 2.3267 2.3267 3.3638 3.3638 3.7665 3.7665 3.8547 3.8547 5.0008 5.0008 5.6268 5.6268 7.7441 7.7441 8.7856 8.7856 10.0265 10.0265 10.2237 10.2237 11.4090 11.4090 11.7997 11.7997 11.9344 11.9344 12.5081 12.5081 13.7988 13.7988 14.4327 14.4327 15.7090 15.7090 15.8320 15.8320 16.7789 16.7789 k =-0.1146-0.0206 0.1025 ( 2325 PWs) bands (ev): -9.8519 -9.8519 -6.6282 -6.6282 -4.8022 -4.8022 -3.8226 -3.8226 -2.9827 -2.9827 -2.2189 -2.2189 -0.7555 -0.7555 -0.1848 -0.1848 1.8259 1.8259 2.3437 2.3437 3.3344 3.3344 3.7671 3.7671 3.8933 3.8933 5.0118 5.0118 5.5876 5.5876 7.6468 7.6468 8.7938 8.7938 10.1331 10.1331 10.2723 10.2723 11.3722 11.3722 11.8009 11.8009 11.9059 11.9059 12.5249 12.5249 13.6946 13.6946 14.4039 14.4039 15.6644 15.6644 15.8635 15.8635 16.7964 16.7964 k =-0.1250-0.0225 0.1119 ( 2323 PWs) bands (ev): -9.8324 -9.8324 -6.6303 -6.6303 -4.8698 -4.8698 -3.8293 -3.8293 -3.0523 -3.0523 -2.1446 -2.1446 -0.6591 -0.6591 -0.2654 -0.2654 1.9151 1.9151 2.3622 2.3622 3.2985 3.2985 3.7732 3.7732 3.9369 3.9369 5.0197 5.0197 5.5480 5.5480 7.5505 7.5505 8.8026 8.8026 10.2311 10.2311 10.3248 10.3248 11.3329 11.3329 11.8003 11.8003 11.8836 11.8836 12.5422 12.5422 13.5876 13.5876 14.3773 14.3773 15.6146 15.6146 15.8942 15.8942 16.8164 16.8164 k =-0.1354-0.0244 0.1212 ( 2324 PWs) bands (ev): -9.8112 -9.8112 -6.6326 -6.6326 -4.9394 -4.9394 -3.8360 -3.8360 -3.1219 -3.1219 -2.0674 -2.0674 -0.5619 -0.5619 -0.3444 -0.3444 2.0032 2.0032 2.3822 2.3822 3.2577 3.2577 3.7850 3.7850 3.9838 3.9838 5.0246 5.0246 5.5084 5.5084 7.4554 7.4554 8.8120 8.8120 10.3116 10.3116 10.3877 10.3877 11.2913 11.2913 11.7865 11.7865 11.8809 11.8809 12.5599 12.5599 13.4783 13.4783 14.3536 14.3536 15.5606 15.5606 15.9228 15.9228 16.8389 16.8389 k =-0.1458-0.0262 0.1305 ( 2324 PWs) bands (ev): -9.7884 -9.7884 -6.6351 -6.6351 -5.0105 -5.0105 -3.8429 -3.8429 -3.1907 -3.1907 -1.9879 -1.9879 -0.4662 -0.4662 -0.4195 -0.4195 2.0898 2.0898 2.4036 2.4036 3.2134 3.2134 3.8014 3.8014 4.0332 4.0332 5.0266 5.0266 5.4695 5.4695 7.3613 7.3613 8.8219 8.8219 10.3679 10.3679 10.4652 10.4652 11.2478 11.2478 11.7562 11.7562 11.9022 11.9022 12.5781 12.5781 13.3676 13.3676 14.3333 14.3333 15.5034 15.5034 15.9484 15.9484 16.8640 16.8640 k =-0.1562-0.0281 0.1398 ( 2323 PWs) bands (ev): -9.7640 -9.7640 -6.6377 -6.6377 -5.0830 -5.0830 -3.8502 -3.8502 -3.2580 -3.2580 -1.9068 -1.9068 -0.4991 -0.4991 -0.3634 -0.3634 2.1746 2.1746 2.4265 2.4265 3.1672 3.1672 3.8211 3.8211 4.0845 4.0845 5.0262 5.0262 5.4317 5.4317 7.2684 7.2684 8.8325 8.8325 10.4081 10.4081 10.5464 10.5464 11.2031 11.2031 11.7176 11.7176 11.9404 11.9404 12.5969 12.5969 13.2568 13.2568 14.3170 14.3170 15.4436 15.4436 15.9705 15.9705 16.8915 16.8915 k =-0.1667-0.0300 0.1492 ( 2318 PWs) bands (ev): -9.7379 -9.7379 -6.6405 -6.6405 -5.1564 -5.1564 -3.8584 -3.8584 -3.3233 -3.3233 -1.8249 -1.8249 -0.5719 -0.5719 -0.2649 -0.2649 2.2572 2.2572 2.4508 2.4508 3.1206 3.1206 3.8428 3.8428 4.1371 4.1371 5.0244 5.0244 5.3955 5.3955 7.1765 7.1765 8.8438 8.8438 10.4381 10.4381 10.6229 10.6229 11.1584 11.1584 11.6748 11.6748 11.9908 11.9908 12.6162 12.6162 13.1476 13.1476 14.3047 14.3047 15.3815 15.3815 15.9885 15.9885 16.9215 16.9215 k =-0.1771-0.0319 0.1585 ( 2315 PWs) bands (ev): -9.7104 -9.7104 -6.6436 -6.6436 -5.2306 -5.2306 -3.8679 -3.8679 -3.3859 -3.3859 -1.7428 -1.7428 -0.6424 -0.6424 -0.1659 -0.1659 2.3369 2.3369 2.4762 2.4762 3.0748 3.0748 3.8652 3.8652 4.1901 4.1901 5.0223 5.0223 5.3611 5.3611 7.0857 7.0857 8.8557 8.8557 10.4590 10.4590 10.6903 10.6903 11.1162 11.1162 11.6295 11.6295 12.0497 12.0497 12.6362 12.6362 13.0430 13.0430 14.2968 14.2968 15.3178 15.3178 16.0021 16.0021 16.9538 16.9538 k =-0.1875-0.0337 0.1678 ( 2315 PWs) bands (ev): -9.6813 -9.6813 -6.6470 -6.6470 -5.3052 -5.3052 -3.8793 -3.8793 -3.4451 -3.4451 -1.6615 -1.6615 -0.7094 -0.7094 -0.0668 -0.0668 2.4127 2.4127 2.5028 2.5028 3.0314 3.0314 3.8868 3.8868 4.2428 4.2428 5.0215 5.0215 5.3290 5.3290 6.9959 6.9959 8.8683 8.8683 10.4709 10.4709 10.7429 10.7429 11.0815 11.0815 11.5828 11.5828 12.1112 12.1112 12.6569 12.6569 12.9481 12.9481 14.2932 14.2932 15.2528 15.2528 16.0107 16.0107 16.9884 16.9884 k =-0.1979-0.0356 0.1771 ( 2315 PWs) bands (ev): -9.6507 -9.6507 -6.6506 -6.6506 -5.3800 -5.3800 -3.8934 -3.8934 -3.4998 -3.4998 -1.5822 -1.5822 -0.7718 -0.7718 0.0322 0.0322 2.4831 2.4831 2.5302 2.5302 2.9925 2.9925 3.9064 3.9064 4.2941 4.2941 5.0236 5.0236 5.2998 5.2998 6.9073 6.9073 8.8816 8.8816 10.4737 10.4737 10.7724 10.7724 11.0626 11.0626 11.5355 11.5355 12.1651 12.1651 12.6786 12.6786 12.8724 12.8724 14.2941 14.2941 15.1869 15.1869 16.0142 16.0142 17.0253 17.0253 k =-0.2083-0.0375 0.1865 ( 2316 PWs) bands (ev): -9.6186 -9.6186 -6.6546 -6.6546 -5.4548 -5.4548 -3.9112 -3.9112 -3.5492 -3.5492 -1.5071 -1.5071 -0.8275 -0.8275 0.1309 0.1309 2.5456 2.5456 2.5579 2.5579 2.9612 2.9612 3.9226 3.9226 4.3428 4.3428 5.0304 5.0304 5.2743 5.2743 6.8197 6.8197 8.8957 8.8957 10.4674 10.4674 10.7716 10.7716 11.0663 11.0663 11.4889 11.4889 12.1956 12.1956 12.7011 12.7011 12.8313 12.8313 14.2993 14.2993 15.1205 15.1205 16.0125 16.0125 17.0643 17.0643 k =-0.2188-0.0394 0.1958 ( 2314 PWs) bands (ev): -9.5851 -9.5851 -6.6589 -6.6589 -5.5294 -5.5294 -3.9335 -3.9335 -3.5921 -3.5921 -1.4399 -1.4399 -0.8729 -0.8729 0.2292 0.2292 2.5836 2.5836 2.5976 2.5976 2.9425 2.9425 3.9341 3.9341 4.3874 4.3874 5.0428 5.0428 5.2543 5.2543 6.7334 6.7334 8.9105 8.9105 10.4515 10.4515 10.7455 10.7455 11.0865 11.0865 11.4447 11.4447 12.1878 12.1878 12.7239 12.7239 12.8401 12.8401 14.3086 14.3086 15.0539 15.0539 16.0054 16.0054 17.1055 17.1055 k =-0.2292-0.0412 0.2051 ( 2318 PWs) bands (ev): -9.5501 -9.5501 -6.6638 -6.6638 -5.6036 -5.6036 -3.9611 -3.9611 -3.6279 -3.6279 -1.3867 -1.3867 -0.9020 -0.9020 0.3267 0.3267 2.6039 2.6039 2.6366 2.6366 2.9422 2.9422 3.9398 3.9398 4.4263 4.4263 5.0607 5.0607 5.2424 5.2424 6.6483 6.6483 8.9260 8.9260 10.4252 10.4252 10.7062 10.7062 11.1087 11.1087 11.4053 11.4053 12.1427 12.1427 12.7473 12.7473 12.8983 12.8983 14.3218 14.3218 14.9873 14.9873 15.9931 15.9931 17.1486 17.1486 k =-0.2396-0.0431 0.2144 ( 2322 PWs) bands (ev): -9.5139 -9.5139 -6.6694 -6.6694 -5.6771 -5.6771 -3.9940 -3.9940 -3.6563 -3.6563 -1.3556 -1.3556 -0.9068 -0.9068 0.4235 0.4235 2.6101 2.6101 2.6687 2.6687 2.9630 2.9630 3.9390 3.9390 4.4580 4.4580 5.0825 5.0825 5.2429 5.2429 6.5647 6.5647 8.9422 8.9422 10.3876 10.3876 10.6630 10.6630 11.1198 11.1198 11.3732 11.3732 12.0767 12.0767 12.7722 12.7722 12.9909 12.9909 14.3386 14.3386 14.9212 14.9212 15.9759 15.9759 17.1937 17.1937 k =-0.2500-0.0450 0.2237 ( 2322 PWs) bands (ev): -9.4763 -9.4763 -6.6757 -6.6757 -5.7496 -5.7496 -4.0316 -4.0316 -3.6779 -3.6779 -1.3514 -1.3514 -0.8825 -0.8825 0.5192 0.5192 2.6001 2.6001 2.7005 2.7005 3.0002 3.0002 3.9316 3.9316 4.4807 4.4807 5.1054 5.1054 5.2605 5.2605 6.4828 6.4828 8.9588 8.9588 10.3379 10.3379 10.6215 10.6215 11.1120 11.1120 11.3472 11.3472 12.0079 12.0079 12.7985 12.7985 13.1045 13.1045 14.3586 14.3586 14.8560 14.8560 15.9541 15.9541 17.2405 17.2405 k =-0.2604-0.0469 0.2331 ( 2323 PWs) bands (ev): -9.4374 -9.4374 -6.6831 -6.6831 -5.8209 -5.8209 -4.0728 -4.0728 -3.6938 -3.6938 -1.3704 -1.3704 -0.8329 -0.8329 0.6137 0.6137 2.5794 2.5794 2.7334 2.7334 3.0467 3.0467 3.9178 3.9178 4.4928 4.4928 5.1290 5.1290 5.2968 5.2968 6.4031 6.4031 8.9759 8.9759 10.2766 10.2766 10.5837 10.5837 11.0854 11.0854 11.3179 11.3179 11.9515 11.9515 12.8261 12.8261 13.2305 13.2305 14.3811 14.3811 14.7920 14.7920 15.9282 15.9282 17.2888 17.2888 k =-0.2708-0.0487 0.2424 ( 2322 PWs) bands (ev): -9.3974 -9.3974 -6.6917 -6.6917 -5.8905 -5.8905 -4.1163 -4.1163 -3.7052 -3.7052 -1.4043 -1.4043 -0.7663 -0.7663 0.7067 0.7067 2.5534 2.5534 2.7672 2.7672 3.0970 3.0970 3.8982 3.8982 4.4934 4.4934 5.1565 5.1565 5.3487 5.3487 6.3260 6.3260 8.9931 8.9931 10.2051 10.2051 10.5499 10.5499 11.0456 11.0456 11.2722 11.2722 11.9187 11.9187 12.8550 12.8550 13.3638 13.3638 14.4052 14.4052 14.7302 14.7302 15.8991 15.8991 17.3383 17.3383 k =-0.2812-0.0506 0.2517 ( 2323 PWs) bands (ev): -9.3562 -9.3562 -6.7019 -6.7019 -5.9580 -5.9580 -4.1611 -4.1611 -3.7130 -3.7130 -1.4462 -1.4462 -0.6897 -0.6897 0.7981 0.7981 2.5256 2.5256 2.8015 2.8015 3.1480 3.1480 3.8736 3.8736 4.4827 4.4827 5.1911 5.1911 5.4116 5.4116 6.2528 6.2528 9.0102 9.0102 10.1257 10.1257 10.5193 10.5193 10.9969 10.9969 11.2040 11.2040 11.9130 11.9130 12.8851 12.8851 13.5013 13.5013 14.4293 14.4293 14.6718 14.6718 15.8675 15.8675 17.3886 17.3886 k =-0.2917-0.0525 0.2610 ( 2324 PWs) bands (ev): -9.3139 -9.3139 -6.7142 -6.7142 -6.0228 -6.0228 -4.2063 -4.2063 -3.7182 -3.7182 -1.4920 -1.4920 -0.6074 -0.6074 0.8876 0.8876 2.4978 2.4978 2.8359 2.8359 3.1978 3.1978 3.8451 3.8451 4.4617 4.4617 5.2339 5.2339 5.4810 5.4810 6.1851 6.1851 9.0266 9.0266 10.0403 10.0403 10.4912 10.4912 10.9410 10.9410 11.1175 11.1175 11.9301 11.9301 12.9163 12.9163 13.6404 13.6404 14.4496 14.4496 14.6206 14.6206 15.8345 15.8345 17.4393 17.4393 k =-0.3021-0.0544 0.2704 ( 2327 PWs) bands (ev): -9.2707 -9.2707 -6.7289 -6.7289 -6.0845 -6.0845 -4.2512 -4.2512 -3.7214 -3.7214 -1.5394 -1.5394 -0.5218 -0.5218 0.9747 0.9747 2.4713 2.4713 2.8699 2.8699 3.2454 3.2454 3.8138 3.8138 4.4321 4.4321 5.2840 5.2840 5.5524 5.5524 6.1263 6.1263 9.0417 9.0417 9.9509 9.9509 10.4647 10.4647 10.8751 10.8751 11.0234 11.0234 11.9629 11.9629 12.9486 12.9486 13.7790 13.7790 14.4567 14.4567 14.5860 14.5860 15.8011 15.8011 17.4895 17.4895 k =-0.3125-0.0562 0.2797 ( 2327 PWs) bands (ev): -9.2266 -9.2266 -6.7468 -6.7468 -6.1422 -6.1422 -4.2952 -4.2952 -3.7229 -3.7229 -1.5869 -1.5869 -0.4344 -0.4344 1.0594 1.0594 2.4468 2.4468 2.9031 2.9031 3.2898 3.2898 3.7807 3.7807 4.3962 4.3962 5.3388 5.3388 5.6197 5.6197 6.0827 6.0827 9.0544 9.0544 9.8592 9.8592 10.4392 10.4392 10.7925 10.7925 10.9354 10.9354 12.0055 12.0055 12.9818 12.9818 13.9142 13.9142 14.4393 14.4393 14.5803 14.5803 15.7688 15.7688 17.5381 17.5381 k =-0.3229-0.0581 0.2890 ( 2328 PWs) bands (ev): -9.1817 -9.1817 -6.7683 -6.7683 -6.1953 -6.1953 -4.3381 -4.3381 -3.7232 -3.7232 -1.6339 -1.6339 -0.3461 -0.3461 1.1410 1.1410 2.4249 2.4249 2.9348 2.9348 3.3307 3.3307 3.7467 3.7467 4.3557 4.3557 5.3938 5.3938 5.6748 5.6748 6.0648 6.0648 9.0631 9.0631 9.7673 9.7673 10.4139 10.4139 10.6900 10.6900 10.8620 10.8620 12.0539 12.0539 13.0158 13.0158 14.0405 14.0405 14.4088 14.4088 14.5954 14.5954 15.7391 15.7391 17.5833 17.5833 k =-0.3333-0.0600 0.2983 ( 2328 PWs) bands (ev): -9.1361 -9.1361 -6.7940 -6.7940 -6.2431 -6.2431 -4.3795 -4.3795 -3.7225 -3.7225 -1.6796 -1.6796 -0.2576 -0.2576 1.2193 1.2193 2.4061 2.4061 2.9645 2.9645 3.3674 3.3674 3.7131 3.7131 4.3124 4.3124 5.4408 5.4408 5.7132 5.7132 6.0840 6.0840 9.0654 9.0654 9.6778 9.6778 10.3869 10.3869 10.5759 10.5759 10.7999 10.7999 12.1057 12.1057 13.0503 13.0503 14.1422 14.1422 14.3928 14.3928 14.6174 14.6174 15.7135 15.7135 17.6218 17.6218 k =-0.3438-0.0619 0.3076 ( 2328 PWs) bands (ev): -9.0901 -9.0901 -6.8242 -6.8242 -6.2852 -6.2852 -4.4192 -4.4192 -3.7210 -3.7210 -1.7238 -1.7238 -0.1696 -0.1696 1.2938 1.2938 2.3907 2.3907 2.9911 2.9911 3.3995 3.3995 3.6810 3.6810 4.2681 4.2681 5.4663 5.4663 5.7470 5.7470 6.1399 6.1399 9.0576 9.0576 9.5941 9.5941 10.3503 10.3503 10.4659 10.4659 10.7440 10.7440 12.1592 12.1592 13.0851 13.0851 14.1843 14.1843 14.4293 14.4293 14.6410 14.6410 15.6941 15.6941 17.6484 17.6484 k =-0.3542-0.0637 0.3170 ( 2328 PWs) bands (ev): -9.0437 -9.0437 -6.8589 -6.8589 -6.3212 -6.3212 -4.4570 -4.4570 -3.7190 -3.7190 -1.7661 -1.7661 -0.0825 -0.0825 1.3639 1.3639 2.3793 2.3793 3.0137 3.0137 3.4263 3.4263 3.6520 3.6520 4.2241 4.2241 5.4608 5.4608 5.7962 5.7962 6.2213 6.2213 9.0350 9.0350 9.5202 9.5202 10.2763 10.2763 10.3929 10.3929 10.6915 10.6915 12.2134 12.2134 13.1199 13.1199 14.1688 14.1688 14.5131 14.5131 14.6676 14.6676 15.6826 15.6826 17.6569 17.6569 k =-0.3646-0.0656 0.3263 ( 2326 PWs) bands (ev): -8.9972 -8.9972 -6.8979 -6.8979 -6.3515 -6.3515 -4.4928 -4.4928 -3.7164 -3.7164 -1.8063 -1.8063 0.0031 0.0031 1.4292 1.4292 2.3721 2.3721 3.0309 3.0309 3.4470 3.4470 3.6277 3.6277 4.1819 4.1819 5.4297 5.4297 5.8645 5.8645 6.3178 6.3178 8.9931 8.9931 9.4590 9.4590 10.1671 10.1671 10.3589 10.3589 10.6413 10.6413 12.2676 12.2676 13.1543 13.1543 14.1325 14.1325 14.5897 14.5897 14.7129 14.7129 15.6807 15.6807 17.6435 17.6435 k =-0.3750-0.0675 0.3356 ( 2327 PWs) bands (ev): -8.9509 -8.9509 -6.9403 -6.9403 -6.3763 -6.3763 -4.5263 -4.5263 -3.7135 -3.7135 -1.8443 -1.8443 0.0868 0.0868 1.4890 1.4890 2.3697 2.3697 3.0415 3.0415 3.4609 3.4609 3.6098 3.6098 4.1428 4.1428 5.3842 5.3842 5.9460 5.9460 6.4234 6.4234 8.9306 8.9306 9.4091 9.4091 10.0541 10.0541 10.3365 10.3365 10.5928 10.5928 12.3213 12.3213 13.1878 13.1878 14.0911 14.0911 14.6227 14.6227 14.7960 14.7960 15.6894 15.6894 17.6103 17.6103 k =-0.3854-0.0693 0.3449 ( 2328 PWs) bands (ev): -8.9049 -8.9049 -6.9854 -6.9854 -6.3964 -6.3964 -4.5576 -4.5576 -3.7104 -3.7104 -1.8798 -1.8798 0.1680 0.1680 1.5429 1.5429 2.3721 2.3721 3.0443 3.0443 3.4683 3.4683 3.5988 3.5988 4.1082 4.1082 5.3320 5.3320 6.0355 6.0355 6.5351 6.5351 8.8508 8.8508 9.3630 9.3630 9.9508 9.9508 10.3181 10.3181 10.5460 10.5460 12.3739 12.3739 13.2199 13.2199 14.0495 14.0495 14.6277 14.6277 14.8961 14.8961 15.7095 15.7095 17.5631 17.5631 k =-0.3958-0.0712 0.3543 ( 2328 PWs) bands (ev): -8.8597 -8.8597 -7.0320 -7.0320 -6.4125 -6.4125 -4.5865 -4.5865 -3.7072 -3.7072 -1.9128 -1.9128 0.2462 0.2462 1.5906 1.5906 2.3795 2.3795 3.0386 3.0386 3.4710 3.4710 3.5933 3.5933 4.0792 4.0792 5.2772 5.2772 6.1300 6.1300 6.6512 6.6512 8.7585 8.7585 9.3097 9.3097 9.8658 9.8658 10.3018 10.3018 10.5009 10.5009 12.4252 12.4252 13.2501 13.2501 14.0099 14.0099 14.6195 14.6195 14.9961 14.9961 15.7407 15.7407 17.5066 17.5066 k =-0.4062-0.0731 0.3636 ( 2327 PWs) bands (ev): -8.8156 -8.8156 -7.0790 -7.0790 -6.4252 -6.4252 -4.6129 -4.6129 -3.7039 -3.7039 -1.9430 -1.9430 0.3206 0.3206 1.6319 1.6319 2.3918 2.3918 3.0245 3.0245 3.4715 3.4715 3.5905 3.5905 4.0567 4.0567 5.2222 5.2222 6.2276 6.2276 6.7703 6.7703 8.6585 8.6585 9.2399 9.2399 9.8056 9.8056 10.2870 10.2870 10.4577 10.4577 12.4748 12.4748 13.2775 13.2775 13.9735 13.9735 14.6031 14.6031 15.0907 15.0907 15.7818 15.7818 17.4441 17.4441 k =-0.4167-0.0750 0.3729 ( 2328 PWs) bands (ev): -8.7732 -8.7732 -7.1254 -7.1254 -6.4353 -6.4353 -4.6367 -4.6367 -3.7007 -3.7007 -1.9705 -1.9705 0.3906 0.3906 1.6667 1.6667 2.4088 2.4088 3.0029 3.0029 3.4718 3.4718 3.5878 3.5878 4.0412 4.0412 5.1686 5.1686 6.3267 6.3267 6.8917 6.8917 8.5543 8.5543 9.1504 9.1504 9.7707 9.7707 10.2731 10.2731 10.4168 10.4168 12.5222 12.5222 13.3015 13.3015 13.9414 13.9414 14.5811 14.5811 15.1779 15.1779 15.8314 15.8314 17.3779 17.3779 k =-0.4271-0.0768 0.3822 ( 2331 PWs) bands (ev): -8.7329 -8.7329 -7.1701 -7.1701 -6.4432 -6.4432 -4.6580 -4.6580 -3.6977 -3.6977 -1.9950 -1.9950 0.4553 0.4553 1.6955 1.6955 2.4296 2.4296 2.9755 2.9755 3.4727 3.4727 3.5839 3.5839 4.0327 4.0327 5.1175 5.1175 6.4261 6.4261 7.0143 7.0143 8.4489 8.4489 9.0448 9.0448 9.7565 9.7565 10.2598 10.2598 10.3788 10.3788 12.5670 12.5670 13.3212 13.3212 13.9143 13.9143 14.5555 14.5555 15.2565 15.2565 15.8871 15.8871 17.3098 17.3098 k =-0.4375-0.0787 0.3916 ( 2331 PWs) bands (ev): -8.6955 -8.6955 -7.2120 -7.2120 -6.4493 -6.4493 -4.6765 -4.6765 -3.6948 -3.6948 -2.0165 -2.0165 0.5141 0.5141 1.7188 1.7188 2.4534 2.4534 2.9440 2.9440 3.4740 3.4740 3.5784 3.5784 4.0301 4.0301 5.0701 5.0701 6.5243 6.5243 7.1374 7.1374 8.3445 8.3445 8.9292 8.9292 9.7561 9.7561 10.2461 10.2461 10.3448 10.3448 12.6086 12.6086 13.3362 13.3362 13.8930 13.8930 14.5283 14.5283 15.3260 15.3260 15.9468 15.9468 17.2417 17.2417 k =-0.4479-0.0806 0.4009 ( 2331 PWs) bands (ev): -8.6618 -8.6618 -7.2501 -7.2501 -6.4541 -6.4541 -4.6922 -4.6922 -3.6923 -3.6923 -2.0348 -2.0348 0.5658 0.5658 1.7371 1.7371 2.4792 2.4792 2.9105 2.9105 3.4753 3.4753 3.5718 3.5718 4.0324 4.0324 5.0273 5.0273 6.6192 6.6192 7.2595 7.2595 8.2438 8.2438 8.8089 8.8089 9.7643 9.7643 10.2312 10.2312 10.3164 10.3164 12.6463 12.6463 13.3462 13.3462 13.8776 13.8776 14.5013 14.5013 15.3858 15.3858 16.0074 16.0074 17.1753 17.1753 k =-0.4583-0.0825 0.4102 ( 2333 PWs) bands (ev): -8.6324 -8.6324 -7.2832 -7.2832 -6.4576 -6.4576 -4.7052 -4.7052 -3.6901 -3.6901 -2.0499 -2.0499 0.6098 0.6098 1.7511 1.7511 2.5057 2.5057 2.8768 2.8768 3.4765 3.4765 3.5649 3.5649 4.0377 4.0377 4.9902 4.9902 6.7082 6.7082 7.3785 7.3785 8.1497 8.1497 8.6889 8.6889 9.7768 9.7768 10.2144 10.2144 10.2947 10.2947 12.6792 12.6792 13.3517 13.3517 13.8676 13.8676 14.4760 14.4760 15.4357 15.4357 16.0659 16.0659 17.1130 17.1130 k =-0.4688-0.0843 0.4195 ( 2331 PWs) bands (ev): -8.6083 -8.6083 -7.3103 -7.3103 -6.4602 -6.4602 -4.7153 -4.7153 -3.6884 -3.6884 -2.0617 -2.0617 0.6450 0.6450 1.7614 1.7614 2.5312 2.5312 2.8451 2.8451 3.4774 3.4774 3.5586 3.5586 4.0443 4.0443 4.9598 4.9598 6.7874 6.7874 7.4908 7.4908 8.0666 8.0666 8.5745 8.5745 9.7906 9.7906 10.1967 10.1967 10.2801 10.2801 12.7064 12.7064 13.3536 13.3536 13.8621 13.8621 14.4543 14.4543 15.4752 15.4752 16.1188 16.1188 17.0577 17.0577 k =-0.4792-0.0862 0.4288 ( 2336 PWs) bands (ev): -8.5904 -8.5904 -7.3305 -7.3305 -6.4620 -6.4620 -4.7225 -4.7225 -3.6871 -3.6871 -2.0702 -2.0702 0.6709 0.6709 1.7684 1.7684 2.5536 2.5536 2.8180 2.8180 3.4779 3.4779 3.5536 3.5536 4.0505 4.0505 4.9372 4.9372 6.8516 6.8516 7.5893 7.5893 7.9998 7.9998 8.4734 8.4734 9.8030 9.8030 10.1808 10.1808 10.2710 10.2710 12.7268 12.7268 13.3534 13.3534 13.8598 13.8598 14.4374 14.4374 15.5038 15.5038 16.1618 16.1618 17.0133 17.0133 k =-0.4896-0.0881 0.4382 ( 2337 PWs) bands (ev): -8.5794 -8.5794 -7.3430 -7.3430 -6.4630 -6.4630 -4.7269 -4.7269 -3.6863 -3.6863 -2.0754 -2.0754 0.6866 0.6866 1.7725 1.7725 2.5698 2.5698 2.7990 2.7990 3.4782 3.4782 3.5504 3.5504 4.0548 4.0548 4.9232 4.9232 6.8943 6.8943 7.6614 7.6614 7.9561 7.9561 8.3991 8.3991 9.8116 9.8116 10.1698 10.1698 10.2661 10.2661 12.7395 12.7395 13.3525 13.3525 13.8591 13.8591 14.4267 14.4267 15.5212 15.5212 16.1903 16.1903 16.9840 16.9840 k =-0.5000-0.0900 0.4475 ( 2340 PWs) bands (ev): -8.5757 -8.5757 -7.3472 -7.3472 -6.4634 -6.4634 -4.7284 -4.7284 -3.6860 -3.6860 -2.0771 -2.0771 0.6919 0.6919 1.7738 1.7738 2.5758 2.5758 2.7920 2.7920 3.4783 3.4783 3.5492 3.5492 4.0563 4.0563 4.9185 4.9185 6.9094 6.9094 7.6887 7.6887 7.9409 7.9409 8.3707 8.3707 9.8147 9.8147 10.1658 10.1658 10.2646 10.2646 12.7438 12.7438 13.3521 13.3521 13.8590 13.8590 14.4230 14.4230 15.5270 15.5270 16.2003 16.2003 16.9736 16.9736 k =-0.5000-0.5975 0.1201 ( 2342 PWs) bands (ev): -8.8964 -8.8964 -7.3828 -7.3828 -5.5132 -5.5132 -4.4066 -4.4066 -3.5212 -3.5212 -1.6852 -1.6852 -1.5658 -1.5658 0.0573 0.0573 1.5666 1.5666 1.6957 1.6957 2.9245 2.9245 5.7413 5.7413 5.7851 5.7851 7.1579 7.1579 8.4272 8.4272 8.7069 8.7069 9.1063 9.1063 9.2975 9.2975 9.4439 9.4439 9.8049 9.8049 11.1850 11.1850 11.3401 11.3401 12.4226 12.4226 14.0463 14.0463 14.9127 14.9127 15.5011 15.5011 15.9109 15.9109 16.4689 16.4689 k =-0.4911-0.5869 0.1180 ( 2340 PWs) bands (ev): -8.8974 -8.8974 -7.3823 -7.3823 -5.5125 -5.5125 -4.4062 -4.4062 -3.5208 -3.5208 -1.6880 -1.6880 -1.5628 -1.5628 0.0595 0.0595 1.5654 1.5654 1.6954 1.6954 2.9241 2.9241 5.7402 5.7402 5.7841 5.7841 7.1544 7.1544 8.4263 8.4263 8.7024 8.7024 9.1102 9.1102 9.2971 9.2971 9.4435 9.4435 9.8051 9.8051 11.1844 11.1844 11.3443 11.3443 12.4226 12.4226 14.0372 14.0372 14.9217 14.9217 15.4984 15.4984 15.9081 15.9081 16.4690 16.4690 k =-0.4821-0.5762 0.1158 ( 2339 PWs) bands (ev): -8.9005 -8.9005 -7.3808 -7.3808 -5.5103 -5.5103 -4.4050 -4.4050 -3.5194 -3.5194 -1.6959 -1.6959 -1.5545 -1.5545 0.0660 0.0660 1.5618 1.5618 1.6945 1.6945 2.9228 2.9228 5.7371 5.7371 5.7812 5.7812 7.1438 7.1438 8.4235 8.4235 8.6894 8.6894 9.1209 9.1209 9.2964 9.2964 9.4422 9.4422 9.8057 9.8057 11.1829 11.1829 11.3562 11.3562 12.4224 12.4224 14.0110 14.0110 14.9475 14.9475 15.4898 15.4898 15.9002 15.9002 16.4693 16.4693 k =-0.4732-0.5655 0.1137 ( 2341 PWs) bands (ev): -8.9057 -8.9057 -7.3782 -7.3782 -5.5066 -5.5066 -4.4031 -4.4031 -3.5171 -3.5171 -1.7072 -1.7072 -1.5426 -1.5426 0.0769 0.0769 1.5559 1.5559 1.6930 1.6930 2.9207 2.9207 5.7317 5.7317 5.7764 5.7764 7.1263 7.1263 8.4191 8.4191 8.6692 8.6692 9.1352 9.1352 9.2969 9.2969 9.4399 9.4399 9.8071 9.8071 11.1817 11.1817 11.3750 11.3750 12.4220 12.4220 13.9709 13.9709 14.9866 14.9866 15.4742 15.4742 15.8890 15.8890 16.4696 16.4696 k =-0.4643-0.5549 0.1115 ( 2344 PWs) bands (ev): -8.9128 -8.9128 -7.3746 -7.3746 -5.5014 -5.5014 -4.4004 -4.4004 -3.5139 -3.5139 -1.7207 -1.7207 -1.5284 -1.5284 0.0923 0.0923 1.5478 1.5478 1.6908 1.6908 2.9178 2.9178 5.7241 5.7241 5.7699 5.7699 7.1019 7.1019 8.4132 8.4132 8.6430 8.6430 9.1485 9.1485 9.3014 9.3014 9.4366 9.4366 9.8101 9.8101 11.1817 11.1817 11.3995 11.3995 12.4215 12.4215 13.9204 13.9204 15.0353 15.0353 15.4501 15.4501 15.8769 15.8769 16.4700 16.4700 k =-0.4554-0.5442 0.1094 ( 2338 PWs) bands (ev): -8.9220 -8.9220 -7.3700 -7.3700 -5.4948 -5.4948 -4.3969 -4.3969 -3.5097 -3.5097 -1.7355 -1.7355 -1.5128 -1.5128 0.1121 0.1121 1.5377 1.5377 1.6877 1.6877 2.9141 2.9141 5.7140 5.7140 5.7617 5.7617 7.0710 7.0710 8.4058 8.4058 8.6119 8.6119 9.1562 9.1562 9.3128 9.3128 9.4321 9.4321 9.8158 9.8158 11.1838 11.1838 11.4290 11.4290 12.4208 12.4208 13.8628 13.8628 15.0895 15.0895 15.4157 15.4157 15.8671 15.8671 16.4703 16.4703 k =-0.4464-0.5335 0.1072 ( 2337 PWs) bands (ev): -8.9331 -8.9331 -7.3644 -7.3644 -5.4868 -5.4868 -4.3926 -4.3926 -3.5046 -3.5046 -1.7511 -1.7511 -1.4966 -1.4966 0.1364 0.1364 1.5258 1.5258 1.6838 1.6838 2.9096 2.9096 5.7013 5.7013 5.7520 5.7520 7.0338 7.0338 8.3972 8.3972 8.5763 8.5763 9.1557 9.1557 9.3320 9.3320 9.4263 9.4263 9.8252 9.8252 11.1887 11.1887 11.4629 11.4629 12.4197 12.4197 13.8009 13.8009 15.1459 15.1459 15.3699 15.3699 15.8624 15.8624 16.4704 16.4704 k =-0.4375-0.5228 0.1051 ( 2336 PWs) bands (ev): -8.9460 -8.9460 -7.3578 -7.3578 -5.4773 -5.4773 -4.3875 -4.3875 -3.4986 -3.4986 -1.7672 -1.7672 -1.4802 -1.4802 0.1652 0.1652 1.5121 1.5121 1.6790 1.6790 2.9044 2.9044 5.6857 5.6857 5.7409 5.7409 6.9905 6.9905 8.3871 8.3871 8.5367 8.5367 9.1484 9.1484 9.3567 9.3567 9.4191 9.4191 9.8397 9.8397 11.1968 11.1968 11.5006 11.5006 12.4183 12.4183 13.7366 13.7366 15.2007 15.2007 15.3134 15.3134 15.8649 15.8649 16.4704 16.4704 k =-0.4286-0.5122 0.1029 ( 2335 PWs) bands (ev): -8.9608 -8.9608 -7.3502 -7.3502 -5.4664 -5.4664 -4.3817 -4.3817 -3.4917 -3.4917 -1.7836 -1.7836 -1.4639 -1.4639 0.1986 0.1986 1.4969 1.4969 1.6732 1.6732 2.8985 2.8985 5.6672 5.6672 5.7285 5.7285 6.9416 6.9416 8.3746 8.3746 8.4941 8.4941 9.1370 9.1370 9.3834 9.3834 9.4106 9.4106 9.8606 9.8606 11.2083 11.2083 11.5418 11.5418 12.4163 12.4163 13.6713 13.6713 15.2275 15.2275 15.2711 15.2711 15.8756 15.8756 16.4703 16.4703 k =-0.4196-0.5015 0.1008 ( 2330 PWs) bands (ev): -8.9772 -8.9772 -7.3416 -7.3416 -5.4541 -5.4541 -4.3750 -4.3750 -3.4838 -3.4838 -1.8002 -1.8002 -1.4480 -1.4480 0.2366 0.2366 1.4804 1.4804 1.6665 1.6665 2.8920 2.8920 5.6455 5.6455 5.7149 5.7149 6.8874 6.8874 8.3562 8.3562 8.4517 8.4517 9.1237 9.1237 9.3990 9.3990 9.4108 9.4108 9.8890 9.8890 11.2235 11.2235 11.5864 11.5864 12.4137 12.4137 13.6063 13.6063 15.1585 15.1585 15.3107 15.3107 15.8946 15.8946 16.4702 16.4702 k =-0.4107-0.4908 0.0987 ( 2332 PWs) bands (ev): -8.9953 -8.9953 -7.3321 -7.3321 -5.4404 -5.4404 -4.3677 -4.3677 -3.4750 -3.4750 -1.8169 -1.8169 -1.4327 -1.4327 0.2791 0.2791 1.4626 1.4626 1.6588 1.6588 2.8848 2.8848 5.6205 5.6205 5.7002 5.7002 6.8284 6.8284 8.3236 8.3236 8.4179 8.4179 9.1106 9.1106 9.3878 9.3878 9.4335 9.4335 9.9255 9.9255 11.2425 11.2425 11.6341 11.6341 12.4103 12.4103 13.5423 13.5423 15.0726 15.0726 15.3538 15.3538 15.9212 15.9212 16.4701 16.4701 k =-0.4018-0.4802 0.0965 ( 2334 PWs) bands (ev): -9.0149 -9.0149 -7.3216 -7.3216 -5.4253 -5.4253 -4.3595 -4.3595 -3.4652 -3.4652 -1.8337 -1.8337 -1.4182 -1.4182 0.3261 0.3261 1.4437 1.4437 1.6502 1.6502 2.8771 2.8771 5.5922 5.5922 5.6843 5.6843 6.7652 6.7652 8.2712 8.2712 8.3983 8.3983 9.0987 9.0987 9.3745 9.3745 9.4531 9.4531 9.9701 9.9701 11.2653 11.2653 11.6846 11.6846 12.4060 12.4060 13.4801 13.4801 14.9797 14.9797 15.3917 15.3917 15.9541 15.9541 16.4703 16.4703 k =-0.3929-0.4695 0.0944 ( 2335 PWs) bands (ev): -9.0360 -9.0360 -7.3103 -7.3103 -5.4090 -5.4090 -4.3506 -4.3506 -3.4546 -3.4546 -1.8505 -1.8505 -1.4048 -1.4048 0.3775 0.3775 1.4239 1.4239 1.6409 1.6409 2.8690 2.8690 5.5604 5.5604 5.6673 5.6673 6.6981 6.6981 8.2036 8.2036 8.3884 8.3884 9.0891 9.0891 9.3598 9.3598 9.4689 9.4689 10.0222 10.0222 11.2921 11.2921 11.7377 11.7377 12.4007 12.4007 13.4200 13.4200 14.8820 14.8820 15.4242 15.4242 15.9914 15.9914 16.4709 16.4709 k =-0.3839-0.4588 0.0922 ( 2333 PWs) bands (ev): -9.0584 -9.0584 -7.2980 -7.2980 -5.3913 -5.3913 -4.3410 -4.3410 -3.4431 -3.4431 -1.8673 -1.8673 -1.3925 -1.3925 0.4330 0.4330 1.4032 1.4032 1.6309 1.6309 2.8605 2.8605 5.5253 5.5253 5.6490 5.6490 6.6278 6.6278 8.1257 8.1257 8.3836 8.3836 9.0822 9.0822 9.3439 9.3439 9.4812 9.4812 10.0810 10.0810 11.3227 11.3227 11.7932 11.7932 12.3941 12.3941 13.3626 13.3626 14.7810 14.7810 15.4518 15.4518 16.0310 16.0310 16.4723 16.4723 k =-0.3750-0.4482 0.0901 ( 2335 PWs) bands (ev): -9.0821 -9.0821 -7.2849 -7.2849 -5.3723 -5.3723 -4.3306 -4.3306 -3.4307 -3.4307 -1.8840 -1.8840 -1.3815 -1.3815 0.4926 0.4926 1.3818 1.3818 1.6205 1.6205 2.8517 2.8517 5.4866 5.4866 5.6296 5.6296 6.5549 6.5549 8.0399 8.0399 8.3821 8.3821 9.0782 9.0782 9.3270 9.3270 9.4903 9.4903 10.1454 10.1454 11.3572 11.3572 11.8508 11.8508 12.3861 12.3861 13.3082 13.3082 14.6780 14.6780 15.4752 15.4752 16.0705 16.0705 16.4749 16.4749 k =-0.3661-0.4375 0.0879 ( 2337 PWs) bands (ev): -9.1068 -9.1068 -7.2710 -7.2710 -5.3521 -5.3521 -4.3195 -4.3195 -3.4174 -3.4174 -1.9007 -1.9007 -1.3718 -1.3718 0.5557 0.5557 1.3599 1.3599 1.6098 1.6098 2.8427 2.8427 5.4445 5.4445 5.6088 5.6088 6.4798 6.4798 7.9474 7.9474 8.3831 8.3831 9.0772 9.0772 9.3095 9.3095 9.4968 9.4968 10.2145 10.2145 11.3955 11.3955 11.9101 11.9101 12.3766 12.3766 13.2568 13.2568 14.5740 14.5740 15.4955 15.4955 16.1076 16.1076 16.4793 16.4793 k =-0.3571-0.4268 0.0858 ( 2337 PWs) bands (ev): -9.1326 -9.1326 -7.2562 -7.2562 -5.3308 -5.3308 -4.3076 -4.3076 -3.4034 -3.4034 -1.9172 -1.9172 -1.3635 -1.3635 0.6220 0.6220 1.3376 1.3376 1.5992 1.5992 2.8336 2.8336 5.3988 5.3988 5.5868 5.5868 6.4033 6.4033 7.8493 7.8493 8.3864 8.3864 9.0788 9.0788 9.2919 9.2919 9.5011 9.5011 10.2872 10.2872 11.4376 11.4376 11.9706 11.9706 12.3657 12.3657 13.2088 13.2088 14.4702 14.4702 15.5133 15.5133 16.1403 16.1403 16.4857 16.4857 k =-0.3482-0.4161 0.0836 ( 2337 PWs) bands (ev): -9.1592 -9.1592 -7.2407 -7.2407 -5.3082 -5.3082 -4.2951 -4.2951 -3.3886 -3.3886 -1.9336 -1.9336 -1.3566 -1.3566 0.6907 0.6907 1.3150 1.3150 1.5892 1.5892 2.8245 2.8245 5.3497 5.3497 5.5634 5.5634 6.3259 6.3259 7.7463 7.7463 8.3916 8.3916 9.0826 9.0826 9.2750 9.2750 9.5034 9.5034 10.3629 10.3629 11.4833 11.4833 12.0318 12.0318 12.3535 12.3535 13.1641 13.1641 14.3673 14.3673 15.5293 15.5293 16.1672 16.1672 16.4946 16.4946 k =-0.3393-0.4055 0.0815 ( 2332 PWs) bands (ev): -9.1866 -9.1866 -7.2244 -7.2244 -5.2846 -5.2846 -4.2818 -4.2818 -3.3730 -3.3730 -1.9498 -1.9498 -1.3511 -1.3511 0.7610 0.7610 1.2925 1.2925 1.5803 1.5803 2.8156 2.8156 5.2971 5.2971 5.5385 5.5385 6.2481 6.2481 7.6392 7.6392 8.3985 8.3985 9.0874 9.0874 9.2598 9.2598 9.5041 9.5041 10.4407 10.4407 11.5325 11.5325 12.0924 12.0924 12.3406 12.3406 13.1228 13.1228 14.2665 14.2665 15.5440 15.5440 16.1876 16.1876 16.5060 16.5060 k =-0.3304-0.3948 0.0794 ( 2331 PWs) bands (ev): -9.2147 -9.2147 -7.2075 -7.2075 -5.2598 -5.2598 -4.2679 -4.2679 -3.3568 -3.3568 -1.9658 -1.9658 -1.3471 -1.3471 0.8316 0.8316 1.2702 1.2702 1.5733 1.5733 2.8071 2.8071 5.2411 5.2411 5.5122 5.5122 6.1705 6.1705 7.5288 7.5288 8.4068 8.4068 9.0915 9.0915 9.2483 9.2483 9.5035 9.5035 10.5202 10.5202 11.5850 11.5850 12.1501 12.1501 12.3287 12.3287 13.0848 13.0848 14.1685 14.1685 15.5578 15.5578 16.2016 16.2016 16.5193 16.5193 k =-0.3214-0.3841 0.0772 ( 2330 PWs) bands (ev): -9.2434 -9.2434 -7.1899 -7.1899 -5.2341 -5.2341 -4.2534 -4.2534 -3.3399 -3.3399 -1.9815 -1.9815 -1.3445 -1.3445 0.9005 0.9005 1.2488 1.2488 1.5696 1.5696 2.7992 2.7992 5.1818 5.1818 5.4843 5.4843 6.0935 6.0935 7.4157 7.4157 8.4164 8.4164 9.0923 9.0923 9.2430 9.2430 9.5016 9.5016 10.6006 10.6006 11.6407 11.6407 12.1985 12.1985 12.3238 12.3238 13.0500 13.0500 14.0742 14.0742 15.5710 15.5710 16.2096 16.2096 16.5340 16.5340 k =-0.3125-0.3735 0.0751 ( 2329 PWs) bands (ev): -9.2725 -9.2725 -7.1716 -7.1716 -5.2074 -5.2074 -4.2382 -4.2382 -3.3224 -3.3224 -1.9969 -1.9969 -1.3432 -1.3432 0.9648 0.9648 1.2290 1.2290 1.5710 1.5710 2.7921 2.7921 5.1193 5.1193 5.4548 5.4548 6.0176 6.0176 7.3007 7.3007 8.4269 8.4269 9.0876 9.0876 9.2463 9.2463 9.4987 9.4987 10.6815 10.6815 11.6994 11.6994 12.2224 12.2224 12.3401 12.3401 13.0183 13.0183 13.9847 13.9847 15.5837 15.5837 16.2127 16.2127 16.5492 16.5492 k =-0.3036-0.3628 0.0729 ( 2328 PWs) bands (ev): -9.3019 -9.3019 -7.1528 -7.1528 -5.1799 -5.1799 -4.2224 -4.2224 -3.3044 -3.3044 -2.0120 -2.0120 -1.3433 -1.3433 1.0199 1.0199 1.2126 1.2126 1.5798 1.5798 2.7861 2.7861 5.0538 5.0538 5.4237 5.4237 5.9432 5.9432 7.1844 7.1844 8.4381 8.4381 9.0768 9.0768 9.2586 9.2586 9.4952 9.4952 10.7625 10.7625 11.7607 11.7607 12.2178 12.2178 12.3809 12.3809 12.9896 12.9896 13.9011 13.9011 15.5962 15.5962 16.2118 16.2118 16.5643 16.5643 k =-0.2946-0.3521 0.0708 ( 2327 PWs) bands (ev): -9.3316 -9.3316 -7.1335 -7.1335 -5.1515 -5.1515 -4.2061 -4.2061 -3.2860 -3.2860 -2.0267 -2.0267 -1.3445 -1.3445 1.0591 1.0591 1.2031 1.2031 1.5991 1.5991 2.7816 2.7816 4.9856 4.9856 5.3910 5.3910 5.8704 5.8704 7.0674 7.0674 8.4497 8.4497 9.0611 9.0611 9.2785 9.2785 9.4915 9.4915 10.8430 10.8430 11.8243 11.8243 12.1995 12.1995 12.4304 12.4304 12.9637 12.9637 13.8246 13.8246 15.6085 15.6085 16.2077 16.2077 16.5789 16.5789 k =-0.2857-0.3415 0.0686 ( 2328 PWs) bands (ev): -9.3614 -9.3614 -7.1137 -7.1137 -5.1224 -5.1224 -4.1893 -4.1893 -3.2671 -3.2671 -2.0410 -2.0410 -1.3468 -1.3468 1.0760 1.0760 1.2036 1.2036 1.6312 1.6312 2.7790 2.7790 4.9149 4.9149 5.3566 5.3566 5.7996 5.7996 6.9503 6.9503 8.4614 8.4614 9.0422 9.0422 9.3035 9.3035 9.4884 9.4884 10.9226 10.9226 11.8894 11.8894 12.1758 12.1758 12.4794 12.4794 12.9404 12.9404 13.7568 13.7568 15.6207 15.6207 16.2012 16.2012 16.5926 16.5926 k =-0.2768-0.3308 0.0665 ( 2326 PWs) bands (ev): -9.3912 -9.3912 -7.0934 -7.0934 -5.0925 -5.0925 -4.1720 -4.1720 -3.2480 -3.2480 -2.0549 -2.0549 -1.3502 -1.3502 1.0734 1.0734 1.2103 1.2103 1.6768 1.6768 2.7790 2.7790 4.8421 4.8421 5.3207 5.3207 5.7307 5.7307 6.8339 6.8339 8.4730 8.4730 9.0215 9.0215 9.3307 9.3307 9.4878 9.4878 11.0009 11.0009 11.9545 11.9545 12.1503 12.1503 12.5240 12.5240 12.9195 12.9195 13.6996 13.6996 15.6327 15.6327 16.1929 16.1929 16.6054 16.6054 k =-0.2679-0.3201 0.0643 ( 2323 PWs) bands (ev): -9.4210 -9.4210 -7.0728 -7.0728 -5.0621 -5.0621 -4.1543 -4.1543 -3.2285 -3.2285 -2.0684 -2.0684 -1.3545 -1.3545 1.0602 1.0602 1.2155 1.2155 1.7339 1.7339 2.7823 2.7823 4.7676 4.7676 5.2833 5.2833 5.6636 5.6636 6.7187 6.7187 8.4843 8.4843 8.9999 8.9999 9.3558 9.3558 9.4931 9.4931 11.0774 11.0774 12.0142 12.0142 12.1287 12.1287 12.5620 12.5620 12.9003 12.9003 13.6551 13.6551 15.6447 15.6447 16.1831 16.1831 16.6171 16.6171 k =-0.2589-0.3094 0.0622 ( 2323 PWs) bands (ev): -9.4507 -9.4507 -7.0519 -7.0519 -5.0311 -5.0311 -4.1362 -4.1362 -3.2089 -3.2089 -2.0814 -2.0814 -1.3597 -1.3597 1.0422 1.0422 1.2157 1.2157 1.7987 1.7987 2.7898 2.7898 4.6918 4.6918 5.2445 5.2445 5.5983 5.5983 6.6054 6.6054 8.4950 8.4950 8.9780 8.9780 9.3732 9.3732 9.5093 9.5093 11.1516 11.1516 12.0428 12.0428 12.1366 12.1366 12.5922 12.5922 12.8820 12.8820 13.6252 13.6252 15.6564 15.6564 16.1722 16.1722 16.6279 16.6279 k =-0.2500-0.2988 0.0601 ( 2322 PWs) bands (ev): -9.4800 -9.4800 -7.0307 -7.0307 -4.9996 -4.9996 -4.1178 -4.1178 -3.1891 -3.1891 -2.0940 -2.0940 -1.3656 -1.3656 1.0221 1.0221 1.2111 1.2111 1.8672 1.8672 2.8026 2.8026 4.6151 4.6151 5.2044 5.2044 5.5347 5.5347 6.4945 6.4945 8.5049 8.5049 8.9562 8.9562 9.3796 9.3796 9.5393 9.5393 11.2230 11.2230 12.0247 12.0247 12.1885 12.1885 12.6148 12.6148 12.8633 12.8633 13.6116 13.6116 15.6679 15.6679 16.1605 16.1605 16.6377 16.6377 k =-0.2411-0.2881 0.0579 ( 2319 PWs) bands (ev): -9.5091 -9.5091 -7.0094 -7.0094 -4.9679 -4.9679 -4.0991 -4.0991 -3.1693 -3.1693 -2.1060 -2.1060 -1.3722 -1.3722 1.0012 1.0012 1.2029 1.2029 1.9354 1.9354 2.8219 2.8219 4.5380 4.5380 5.1630 5.1630 5.4726 5.4726 6.3868 6.3868 8.5138 8.5138 8.9350 8.9350 9.3772 9.3772 9.5808 9.5808 11.2912 11.2912 11.9919 11.9919 12.2512 12.2512 12.6312 12.6312 12.8435 12.8435 13.6147 13.6147 15.6791 15.6791 16.1481 16.1481 16.6466 16.6466 k =-0.2321-0.2774 0.0558 ( 2321 PWs) bands (ev): -9.5377 -9.5377 -6.9879 -6.9879 -4.9358 -4.9358 -4.0802 -4.0802 -3.1495 -3.1495 -2.1176 -2.1176 -1.3793 -1.3793 0.9800 0.9800 1.1919 1.1919 2.0001 2.0001 2.8492 2.8492 4.4610 4.4610 5.1203 5.1203 5.4121 5.4121 6.2829 6.2829 8.5216 8.5216 8.9147 8.9147 9.3694 9.3694 9.6299 9.6299 11.3557 11.3557 11.9546 11.9546 12.3120 12.3120 12.6432 12.6432 12.8238 12.8238 13.6337 13.6337 15.6898 15.6898 16.1353 16.1353 16.6548 16.6548 k =-0.2232-0.2668 0.0536 ( 2318 PWs) bands (ev): -9.5659 -9.5659 -6.9663 -6.9663 -4.9036 -4.9036 -4.0611 -4.0611 -3.1297 -3.1297 -2.1287 -2.1287 -1.3869 -1.3869 0.9588 0.9588 1.1793 1.1793 2.0587 2.0587 2.8855 2.8855 4.3845 4.3845 5.0760 5.0760 5.3533 5.3533 6.1834 6.1834 8.5281 8.5281 8.8954 8.8954 9.3585 9.3585 9.6840 9.6840 11.4156 11.4156 11.9150 11.9150 12.3653 12.3653 12.6515 12.6515 12.8089 12.8089 13.6665 13.6665 15.6999 15.6999 16.1220 16.1220 16.6622 16.6622 k =-0.2143-0.2561 0.0515 ( 2316 PWs) bands (ev): -9.5935 -9.5935 -6.9448 -6.9448 -4.8713 -4.8713 -4.0419 -4.0419 -3.1101 -3.1101 -2.1392 -2.1392 -1.3949 -1.3949 0.9379 0.9379 1.1654 1.1654 2.1093 2.1093 2.9314 2.9314 4.3089 4.3089 5.0295 5.0295 5.2969 5.2969 6.0888 6.0888 8.5331 8.5331 8.8775 8.8775 9.3456 9.3456 9.7418 9.7418 11.4702 11.4702 11.8744 11.8744 12.4064 12.4064 12.6525 12.6525 12.8090 12.8090 13.7104 13.7104 15.7094 15.7094 16.1085 16.1085 16.6691 16.6691 k =-0.2054-0.2454 0.0493 ( 2318 PWs) bands (ev): -9.6204 -9.6204 -6.9233 -6.9233 -4.8390 -4.8390 -4.0228 -4.0228 -3.0907 -3.0907 -2.1493 -2.1493 -1.4031 -1.4031 0.9173 0.9173 1.1508 1.1508 2.1511 2.1511 2.9867 2.9867 4.2348 4.2348 4.9801 4.9801 5.2439 5.2439 5.9998 5.9998 8.5367 8.5367 8.8611 8.8611 9.3314 9.3314 9.8020 9.8020 11.5181 11.5181 11.8343 11.8343 12.4319 12.4319 12.6414 12.6414 12.8338 12.8338 13.7629 13.7629 15.7180 15.7180 16.0948 16.0948 16.6754 16.6754 k =-0.1964-0.2347 0.0472 ( 2317 PWs) bands (ev): -9.6467 -9.6467 -6.9020 -6.9020 -4.8069 -4.8069 -4.0037 -4.0037 -3.0715 -3.0715 -2.1589 -2.1589 -1.4115 -1.4115 0.8971 0.8971 1.1359 1.1359 2.1842 2.1842 3.0501 3.0501 4.1626 4.1626 4.9267 4.9267 5.1956 5.1956 5.9166 5.9166 8.5388 8.5388 8.8464 8.8464 9.3164 9.3164 9.8639 9.8639 11.5564 11.5564 11.7975 11.7975 12.4415 12.4415 12.6217 12.6217 12.8821 12.8821 13.8216 13.8216 15.7256 15.7256 16.0810 16.0810 16.6813 16.6813 k =-0.1875-0.2241 0.0450 ( 2319 PWs) bands (ev): -9.6722 -9.6722 -6.8809 -6.8809 -4.7750 -4.7750 -3.9848 -3.9848 -3.0527 -3.0527 -2.1680 -2.1680 -1.4200 -1.4200 0.8775 0.8775 1.1208 1.1208 2.2094 2.2094 3.1198 3.1198 4.0928 4.0928 4.8684 4.8684 5.1534 5.1534 5.8396 5.8396 8.5394 8.5394 8.8334 8.8334 9.3008 9.3008 9.9265 9.9265 11.5796 11.5796 11.7697 11.7697 12.4366 12.4366 12.6012 12.6012 12.9460 12.9460 13.8847 13.8847 15.7319 15.7319 16.0671 16.0671 16.6868 16.6868 k =-0.1786-0.2134 0.0429 ( 2320 PWs) bands (ev): -9.6969 -9.6969 -6.8601 -6.8601 -4.7435 -4.7435 -3.9660 -3.9660 -3.0343 -3.0343 -2.1767 -2.1767 -1.4285 -1.4285 0.8585 0.8585 1.1057 1.1057 2.2279 2.2279 3.1934 3.1934 4.0259 4.0259 4.8048 4.8048 5.1182 5.1182 5.7691 5.7691 8.5386 8.5386 8.8220 8.8220 9.2849 9.2849 9.9891 9.9891 11.5800 11.5800 11.7591 11.7591 12.4191 12.4191 12.5848 12.5848 13.0195 13.0195 13.9506 13.9506 15.7368 15.7368 16.0531 16.0531 16.6921 16.6921 k =-0.1696-0.2027 0.0407 ( 2324 PWs) bands (ev): -9.7207 -9.7207 -6.8397 -6.8397 -4.7124 -4.7124 -3.9476 -3.9476 -3.0163 -3.0163 -2.1849 -2.1849 -1.4370 -1.4370 0.8401 0.8401 1.0909 1.0909 2.2410 2.2410 3.2684 3.2684 3.9624 3.9624 4.7364 4.7364 5.0904 5.0904 5.7053 5.7053 8.5368 8.5368 8.8124 8.8124 9.2689 9.2689 10.0506 10.0506 11.5573 11.5573 11.7665 11.7665 12.3921 12.3921 12.5740 12.5740 13.0987 13.0987 14.0181 14.0181 15.7402 15.7402 16.0392 16.0392 16.6972 16.6972 k =-0.1607-0.1921 0.0386 ( 2327 PWs) bands (ev): -9.7436 -9.7436 -6.8197 -6.8197 -4.6819 -4.6819 -3.9295 -3.9295 -2.9988 -2.9988 -2.1926 -2.1926 -1.4454 -1.4454 0.8224 0.8224 1.0764 1.0764 2.2500 2.2500 3.3419 3.3419 3.9033 3.9033 4.6640 4.6640 5.0697 5.0697 5.6484 5.6484 8.5343 8.5343 8.8041 8.8041 9.2529 9.2529 10.1098 10.1098 11.5213 11.5213 11.7830 11.7830 12.3594 12.3594 12.5676 12.5676 13.1815 13.1815 14.0862 14.0862 15.7417 15.7417 16.0254 16.0254 16.7020 16.7020 k =-0.1518-0.1814 0.0365 ( 2327 PWs) bands (ev): -9.7655 -9.7655 -6.8003 -6.8003 -4.6522 -4.6522 -3.9119 -3.9119 -2.9818 -2.9818 -2.1999 -2.1999 -1.4535 -1.4535 0.8054 0.8054 1.0623 1.0623 2.2558 2.2558 3.4112 3.4112 3.8497 3.8497 4.5886 4.5886 5.0554 5.0554 5.5990 5.5990 8.5312 8.5312 8.7972 8.7972 9.2371 9.2371 10.1651 10.1651 11.4805 11.4805 11.8016 11.8016 12.3242 12.3242 12.5639 12.5639 13.2665 13.2665 14.1539 14.1539 15.7412 15.7412 16.0120 16.0120 16.7068 16.7068 k =-0.1429-0.1707 0.0343 ( 2331 PWs) bands (ev): -9.7864 -9.7864 -6.7814 -6.7814 -4.6233 -4.6233 -3.8949 -3.8949 -2.9655 -2.9655 -2.2068 -2.2068 -1.4614 -1.4614 0.7892 0.7892 1.0487 1.0487 2.2592 2.2592 3.4724 3.4724 3.8040 3.8040 4.5114 4.5114 5.0462 5.0462 5.5578 5.5578 8.5282 8.5282 8.7912 8.7912 9.2216 9.2216 10.2149 10.2149 11.4397 11.4397 11.8191 11.8191 12.2886 12.2886 12.5615 12.5615 13.3527 13.3527 14.2206 14.2206 15.7384 15.7384 15.9989 15.9989 16.7113 16.7113 k =-0.1339-0.1601 0.0322 ( 2332 PWs) bands (ev): -9.8062 -9.8062 -6.7633 -6.7633 -4.5953 -4.5953 -3.8784 -3.8784 -2.9498 -2.9498 -2.2132 -2.2132 -1.4691 -1.4691 0.7738 0.7738 1.0357 1.0357 2.2608 2.2608 3.5199 3.5199 3.7706 3.7706 4.4335 4.4335 5.0406 5.0406 5.5260 5.5260 8.5255 8.5255 8.7861 8.7861 9.2064 9.2064 10.2569 10.2569 11.4024 11.4024 11.8343 11.8343 12.2542 12.2542 12.5595 12.5595 13.4395 13.4395 14.2855 14.2855 15.7333 15.7333 15.9865 15.9865 16.7156 16.7156 k =-0.1250-0.1494 0.0300 ( 2334 PWs) bands (ev): -9.8249 -9.8249 -6.7459 -6.7459 -4.5684 -4.5684 -3.8626 -3.8626 -2.9348 -2.9348 -2.2192 -2.2192 -1.4763 -1.4763 0.7592 0.7592 1.0233 1.0233 2.2612 2.2612 3.5455 3.5455 3.7571 3.7571 4.3558 4.3558 5.0364 5.0364 5.5050 5.5050 8.5236 8.5236 8.7817 8.7817 9.1916 9.1916 10.2889 10.2889 11.3716 11.3716 11.8468 11.8468 12.2220 12.2220 12.5572 12.5572 13.5263 13.5263 14.3478 14.3478 15.7257 15.7257 15.9749 15.9749 16.7195 16.7195 k =-0.1161-0.1387 0.0279 ( 2336 PWs) bands (ev): -9.8425 -9.8425 -6.7293 -6.7293 -4.5427 -4.5427 -3.8476 -3.8476 -2.9205 -2.9205 -2.2248 -2.2248 -1.4833 -1.4833 0.7455 0.7455 1.0116 1.0116 2.2608 2.2608 3.5455 3.5455 3.7666 3.7666 4.2792 4.2792 5.0313 5.0313 5.4964 5.4964 8.5228 8.5228 8.7776 8.7776 9.1772 9.1772 10.3087 10.3087 11.3499 11.3499 11.8564 11.8564 12.1927 12.1927 12.5538 12.5538 13.6127 13.6127 14.4069 14.4069 15.7155 15.7155 15.9643 15.9643 16.7227 16.7227 k =-0.1071-0.1280 0.0257 ( 2336 PWs) bands (ev): -9.8589 -9.8589 -6.7136 -6.7136 -4.5182 -4.5182 -3.8335 -3.8335 -2.9071 -2.9071 -2.2301 -2.2301 -1.4898 -1.4898 0.7327 0.7327 1.0007 1.0007 2.2597 2.2597 3.5287 3.5287 3.7902 3.7902 4.2046 4.2046 5.0233 5.0233 5.5009 5.5009 8.5234 8.5234 8.7740 8.7740 9.1633 9.1633 10.3144 10.3144 11.3394 11.3394 11.8633 11.8633 12.1669 12.1669 12.5490 12.5490 13.6983 13.6983 14.4621 14.4621 15.7031 15.7031 15.9548 15.9548 16.7246 16.7246 k =-0.0982-0.1174 0.0236 ( 2337 PWs) bands (ev): -9.8741 -9.8741 -6.6988 -6.6988 -4.4953 -4.4953 -3.8202 -3.8202 -2.8945 -2.8945 -2.2349 -2.2349 -1.4958 -1.4958 0.7208 0.7208 0.9904 0.9904 2.2582 2.2582 3.5055 3.5055 3.8174 3.8174 4.1329 4.1329 5.0116 5.0116 5.5180 5.5180 8.5258 8.5258 8.7705 8.7705 9.1497 9.1497 10.3058 10.3058 11.3409 11.3409 11.8677 11.8677 12.1448 12.1448 12.5423 12.5423 13.7827 13.7827 14.5125 14.5125 15.6886 15.6886 15.9465 15.9465 16.7239 16.7239 k =-0.0893-0.1067 0.0214 ( 2336 PWs) bands (ev): -9.8881 -9.8881 -6.6852 -6.6852 -4.4738 -4.4738 -3.8079 -3.8079 -2.8828 -2.8828 -2.2393 -2.2393 -1.5014 -1.5014 0.7098 0.7098 0.9810 0.9810 2.2565 2.2565 3.4819 3.4819 3.8420 3.8420 4.0656 4.0656 4.9962 4.9962 5.5461 5.5461 8.5302 8.5302 8.7671 8.7671 9.1365 9.1365 10.2838 10.2838 11.3538 11.3538 11.8697 11.8697 12.1267 12.1267 12.5335 12.5335 13.8658 13.8658 14.5573 14.5573 15.6727 15.6727 15.9393 15.9393 16.7185 16.7185 k =-0.0804-0.0960 0.0193 ( 2337 PWs) bands (ev): -9.9008 -9.9008 -6.6726 -6.6726 -4.4541 -4.4541 -3.7965 -3.7965 -2.8720 -2.8720 -2.2433 -2.2433 -1.5065 -1.5065 0.6998 0.6998 0.9724 0.9724 2.2547 2.2547 3.4604 3.4604 3.8596 3.8596 4.0056 4.0056 4.9782 4.9782 5.5823 5.5823 8.5367 8.5367 8.7639 8.7639 9.1236 9.1236 10.2508 10.2508 11.3761 11.3761 11.8696 11.8696 12.1127 12.1127 12.5225 12.5225 13.9471 13.9471 14.5957 14.5957 15.6561 15.6561 15.9332 15.9332 16.7070 16.7070 k =-0.0714-0.0854 0.0172 ( 2338 PWs) bands (ev): -9.9122 -9.9122 -6.6612 -6.6612 -4.4361 -4.4361 -3.7863 -3.7863 -2.8622 -2.8622 -2.2469 -2.2469 -1.5111 -1.5111 0.6908 0.6908 0.9646 0.9646 2.2529 2.2529 3.4422 3.4422 3.8610 3.8610 3.9622 3.9622 4.9588 4.9588 5.6237 5.6237 8.5453 8.5453 8.7607 8.7607 9.1109 9.1109 10.2099 10.2099 11.4055 11.4055 11.8679 11.8679 12.1027 12.1027 12.5093 12.5093 14.0263 14.0263 14.6268 14.6268 15.6394 15.6394 15.9280 15.9280 16.6905 16.6905 k =-0.0625-0.0747 0.0150 ( 2336 PWs) bands (ev): -9.9224 -9.9224 -6.6509 -6.6509 -4.4199 -4.4199 -3.7771 -3.7771 -2.8535 -2.8535 -2.2501 -2.2501 -1.5152 -1.5152 0.6828 0.6828 0.9577 0.9577 2.2512 2.2512 3.4278 3.4278 3.8340 3.8340 3.9479 3.9479 4.9392 4.9392 5.6674 5.6674 8.5559 8.5559 8.7576 8.7576 9.0984 9.0984 10.1644 10.1644 11.4389 11.4389 11.8650 11.8650 12.0965 12.0965 12.4941 12.4941 14.1030 14.1030 14.6498 14.6498 15.6236 15.6236 15.9236 15.9236 16.6719 16.6719 k =-0.0536-0.0640 0.0129 ( 2336 PWs) bands (ev): -9.9312 -9.9312 -6.6420 -6.6420 -4.4057 -4.4057 -3.7692 -3.7692 -2.8458 -2.8458 -2.2529 -2.2529 -1.5188 -1.5188 0.6759 0.6759 0.9516 0.9516 2.2497 2.2497 3.4175 3.4175 3.7907 3.7907 3.9517 3.9517 4.9203 4.9203 5.7107 5.7107 8.5683 8.5683 8.7544 8.7544 9.0861 9.0861 10.1175 10.1175 11.4739 11.4739 11.8613 11.8613 12.0937 12.0937 12.4773 12.4773 14.1769 14.1769 14.6640 14.6640 15.6092 15.6092 15.9199 15.9199 16.6535 16.6535 k =-0.0446-0.0534 0.0107 ( 2338 PWs) bands (ev): -9.9387 -9.9387 -6.6343 -6.6343 -4.3936 -4.3936 -3.7623 -3.7623 -2.8393 -2.8393 -2.2552 -2.2552 -1.5218 -1.5218 0.6699 0.6699 0.9465 0.9465 2.2483 2.2483 3.4112 3.4112 3.7458 3.7458 3.9596 3.9596 4.9031 4.9031 5.7513 5.7513 8.5819 8.5819 8.7513 8.7513 9.0742 9.0742 10.0723 10.0723 11.5078 11.5078 11.8574 11.8574 12.0940 12.0940 12.4596 12.4596 14.2474 14.2474 14.6690 14.6690 15.5970 15.5970 15.9168 15.9168 16.6364 16.6364 k =-0.0357-0.0427 0.0086 ( 2332 PWs) bands (ev): -9.9448 -9.9448 -6.6280 -6.6280 -4.3835 -4.3835 -3.7567 -3.7567 -2.8338 -2.8338 -2.2572 -2.2572 -1.5243 -1.5243 0.6651 0.6651 0.9423 0.9423 2.2472 2.2472 3.4085 3.4085 3.7046 3.7046 3.9672 3.9672 4.8881 4.8881 5.7873 5.7873 8.5961 8.5961 8.7482 8.7482 9.0630 9.0630 10.0314 10.0314 11.5387 11.5387 11.8537 11.8537 12.0965 12.0965 12.4419 12.4419 14.3139 14.3139 14.6646 14.6646 15.5872 15.5872 15.9143 15.9143 16.6215 16.6215 k =-0.0268-0.0320 0.0064 ( 2332 PWs) bands (ev): -9.9496 -9.9496 -6.6230 -6.6230 -4.3757 -4.3757 -3.7523 -3.7523 -2.8296 -2.8296 -2.2587 -2.2587 -1.5263 -1.5263 0.6613 0.6613 0.9389 0.9389 2.2463 2.2463 3.4087 3.4087 3.6695 3.6695 3.9735 3.9735 4.8759 4.8759 5.8170 5.8170 8.6096 8.6096 8.7451 8.7451 9.0531 9.0531 9.9970 9.9970 11.5645 11.5645 11.8505 11.8505 12.1006 12.1006 12.4254 12.4254 14.3755 14.3755 14.6515 14.6515 15.5798 15.5798 15.9123 15.9123 16.6092 16.6092 k =-0.0179-0.0213 0.0043 ( 2325 PWs) bands (ev): -9.9530 -9.9530 -6.6195 -6.6195 -4.3700 -4.3700 -3.7492 -3.7492 -2.8266 -2.8266 -2.2598 -2.2598 -1.5276 -1.5276 0.6586 0.6586 0.9366 0.9366 2.2456 2.2456 3.4108 3.4108 3.6421 3.6421 3.9782 3.9782 4.8670 4.8670 5.8391 5.8391 8.6211 8.6211 8.7424 8.7424 9.0451 9.0451 9.9711 9.9711 11.5841 11.5841 11.8480 11.8480 12.1050 12.1050 12.4119 12.4119 14.4308 14.4308 14.6309 14.6309 15.5748 15.5748 15.9109 15.9109 16.6003 16.6003 k =-0.0089-0.0107 0.0021 ( 2326 PWs) bands (ev): -9.9551 -9.9551 -6.6173 -6.6173 -4.3666 -4.3666 -3.7473 -3.7473 -2.8247 -2.8247 -2.2604 -2.2604 -1.5285 -1.5285 0.6569 0.6569 0.9352 0.9352 2.2452 2.2452 3.4131 3.4131 3.6245 3.6245 3.9810 3.9810 4.8615 4.8615 5.8527 5.8527 8.6289 8.6289 8.7404 8.7404 9.0399 9.0399 9.9550 9.9550 11.5962 11.5962 11.8465 11.8465 12.1085 12.1085 12.4028 12.4028 14.4755 14.4755 14.6069 14.6069 15.5720 15.5720 15.9101 15.9101 16.5947 16.5947 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 k = 0.0000 0.0000 0.0140 ( 2331 PWs) bands (ev): -9.9547 -9.9547 -6.6177 -6.6177 -4.3667 -4.3667 -3.7520 -3.7520 -2.8163 -2.8163 -2.2811 -2.2811 -1.5051 -1.5051 0.6519 0.6519 0.9412 0.9412 2.2423 2.2423 3.3906 3.3906 3.6430 3.6430 3.9800 3.9800 4.8606 4.8606 5.8588 5.8588 8.5471 8.5471 8.7652 8.7652 9.0945 9.0945 9.9536 9.9536 11.5828 11.5828 11.8400 11.8400 12.1225 12.1225 12.4085 12.4085 14.4885 14.4885 14.5932 14.5932 15.5753 15.5753 15.9006 15.9006 16.5989 16.5989 k = 0.0000 0.0000 0.0280 ( 2329 PWs) bands (ev): -9.9517 -9.9517 -6.6211 -6.6211 -4.3708 -4.3708 -3.7669 -3.7669 -2.7950 -2.7950 -2.3344 -2.3344 -1.4412 -1.4412 0.6396 0.6396 0.9597 0.9597 2.2340 2.2340 3.3387 3.3387 3.6976 3.6976 3.9747 3.9747 4.8637 4.8637 5.8632 5.8632 8.3966 8.3966 8.7816 8.7816 9.2207 9.2207 9.9660 9.9660 11.5359 11.5359 11.8221 11.8221 12.1570 12.1570 12.4337 12.4337 14.4672 14.4672 14.5926 14.5926 15.5879 15.5879 15.8728 15.8728 16.6167 16.6167 k = 0.0000 0.0000 0.0420 ( 2331 PWs) bands (ev): -9.9466 -9.9466 -6.6266 -6.6266 -4.3791 -4.3791 -3.7877 -3.7877 -2.7668 -2.7668 -2.4026 -2.4026 -1.3504 -1.3504 0.6220 0.6220 0.9875 0.9875 2.2204 2.2204 3.2776 3.2776 3.7611 3.7611 3.9681 3.9681 4.8688 4.8688 5.8703 5.8703 8.2291 8.2291 8.7876 8.7876 9.3681 9.3681 9.9869 9.9869 11.4698 11.4698 11.7954 11.7954 12.2040 12.2040 12.4712 12.4712 14.4342 14.4342 14.5923 14.5923 15.6080 15.6080 15.8266 15.8266 16.6435 16.6435 k = 0.0000 0.0000 0.0560 ( 2334 PWs) bands (ev): -9.9394 -9.9394 -6.6342 -6.6342 -4.3934 -4.3934 -3.8098 -3.8098 -2.7483 -2.7483 -2.4615 -2.4615 -1.2436 -1.2436 0.6013 0.6013 1.0224 1.0224 2.2016 2.2016 3.2138 3.2138 3.8197 3.8197 3.9674 3.9674 4.8760 4.8760 5.8797 5.8797 8.0552 8.0552 8.7903 8.7903 9.5178 9.5178 10.0164 10.0164 11.3921 11.3921 11.7650 11.7650 12.2535 12.2535 12.5184 12.5184 14.3915 14.3915 14.5940 14.5940 15.6341 15.6341 15.7633 15.7633 16.6733 16.6733 k = 0.0000 0.0000 0.0700 ( 2332 PWs) bands (ev): -9.9302 -9.9302 -6.6437 -6.6437 -4.4159 -4.4159 -3.8283 -3.8283 -2.7690 -2.7690 -2.4778 -2.4778 -1.1273 -1.1273 0.5795 0.5795 1.0625 1.0625 2.1780 2.1780 3.1499 3.1499 3.8510 3.8510 3.9925 3.9925 4.8854 4.8854 5.8909 5.8909 7.8788 7.8788 8.7920 8.7920 9.6615 9.6615 10.0553 10.0553 11.3077 11.3077 11.7365 11.7365 12.2965 12.2965 12.5749 12.5749 14.3409 14.3409 14.6002 14.6002 15.6547 15.6547 15.6944 15.6944 16.6972 16.6972 k = 0.0000 0.0000 0.0840 ( 2331 PWs) bands (ev): -9.9190 -9.9190 -6.6552 -6.6552 -4.4486 -4.4486 -3.8393 -3.8393 -2.8365 -2.8365 -2.4423 -2.4423 -1.0052 -1.0052 0.5575 0.5575 1.1067 1.1067 2.1499 2.1499 3.0866 3.0866 3.8457 3.8457 4.0523 4.0523 4.8967 4.8967 5.9037 5.9037 7.7016 7.7016 8.7937 8.7937 9.7935 9.7935 10.1038 10.1038 11.2201 11.2201 11.7140 11.7140 12.3268 12.3268 12.6415 12.6415 14.2838 14.2838 14.6135 14.6135 15.5804 15.5804 15.7104 15.7104 16.7098 16.7098 k = 0.0000 0.0000 0.0980 ( 2325 PWs) bands (ev): -9.9057 -9.9057 -6.6683 -6.6683 -4.4923 -4.4923 -3.8401 -3.8401 -2.9280 -2.9280 -2.3776 -2.3776 -0.8799 -0.8799 0.5361 0.5361 1.1542 1.1542 2.1177 2.1177 3.0243 3.0243 3.8212 3.8212 4.1287 4.1287 4.9097 4.9097 5.9175 5.9175 7.5247 7.5247 8.7959 8.7959 9.9094 9.9094 10.1617 10.1617 11.1321 11.1321 11.7016 11.7016 12.3414 12.3414 12.7177 12.7177 14.2214 14.2214 14.6357 14.6357 15.4738 15.4738 15.7497 15.7497 16.7127 16.7127 k = 0.0000 0.0000 0.1120 ( 2328 PWs) bands (ev): -9.8904 -9.8904 -6.6831 -6.6831 -4.5468 -4.5468 -3.8302 -3.8302 -3.0284 -3.0284 -2.2986 -2.2986 -0.7526 -0.7526 0.5157 0.5157 1.2044 1.2044 2.0819 2.0819 2.9635 2.9635 3.7877 3.7877 4.2119 4.2119 4.9239 4.9239 5.9319 5.9319 7.3489 7.3489 8.7989 8.7989 10.0077 10.0077 10.2243 10.2243 11.0470 11.0470 11.7025 11.7025 12.3409 12.3409 12.8017 12.8017 14.1545 14.1545 14.6675 14.6675 15.3559 15.3559 15.7928 15.7928 16.7084 16.7084 k = 0.0000 0.0000 0.1260 ( 2328 PWs) bands (ev): -9.8730 -9.8730 -6.6992 -6.6992 -4.6108 -4.6108 -3.8099 -3.8099 -3.1315 -3.1315 -2.2115 -2.2115 -0.6245 -0.6245 0.4966 0.4966 1.2567 1.2567 2.0430 2.0430 2.9040 2.9040 3.7485 3.7485 4.2985 4.2985 4.9389 4.9389 5.9467 5.9467 7.1749 7.1749 8.8028 8.8028 10.0916 10.0916 10.2814 10.2814 10.9691 10.9691 11.7197 11.7197 12.3277 12.3277 12.8916 12.8916 14.0840 14.0840 14.7078 14.7078 15.2305 15.2305 15.8380 15.8380 16.6989 16.6989 k = 0.0000 0.0000 0.1399 ( 2324 PWs) bands (ev): -9.8537 -9.8537 -6.7166 -6.7166 -4.6826 -4.6826 -3.7806 -3.7806 -3.2345 -3.2345 -2.1191 -2.1191 -0.4964 -0.4964 0.4790 0.4790 1.3105 1.3105 2.0018 2.0018 2.8461 2.8461 3.7051 3.7051 4.3871 4.3871 4.9540 4.9540 5.9617 5.9617 7.0034 7.0034 8.8080 8.8080 10.1663 10.1663 10.3197 10.3197 10.9037 10.9037 11.7553 11.7553 12.3053 12.3053 12.9856 12.9856 14.0108 14.0108 14.7521 14.7521 15.1031 15.1031 15.8848 15.8848 16.6851 16.6851 k = 0.0000 0.0000 0.1539 ( 2317 PWs) bands (ev): -9.8323 -9.8323 -6.7350 -6.7350 -4.7607 -4.7607 -3.7434 -3.7434 -3.3360 -3.3360 -2.0229 -2.0229 -0.3687 -0.3687 0.4631 0.4631 1.3650 1.3650 1.9591 1.9591 2.7897 2.7897 3.6585 3.6585 4.4768 4.4768 4.9685 4.9685 5.9769 5.9769 6.8351 6.8351 8.8144 8.8144 10.2347 10.2347 10.3292 10.3292 10.8562 10.8562 11.8095 11.8095 12.2778 12.2778 13.0820 13.0820 13.9355 13.9355 14.7807 14.7807 14.9937 14.9937 15.9326 15.9326 16.6679 16.6679 k = 0.0000 0.0000 0.1679 ( 2315 PWs) bands (ev): -9.8089 -9.8089 -6.7544 -6.7544 -4.8438 -4.8438 -3.6998 -3.6998 -3.4350 -3.4350 -1.9238 -1.9238 -0.2422 -0.2422 0.4489 0.4489 1.4189 1.4189 1.9164 1.9164 2.7350 2.7350 3.6093 3.6093 4.5664 4.5664 4.9820 4.9820 5.9921 5.9921 6.6709 6.6709 8.8221 8.8221 10.2801 10.2801 10.3252 10.3252 10.8277 10.8277 11.8794 11.8794 12.2507 12.2507 13.1794 13.1794 13.8594 13.8594 14.7267 14.7267 14.9683 14.9683 15.9812 15.9812 16.6477 16.6477 k = 0.0000 0.0000 0.1819 ( 2316 PWs) bands (ev): -9.7835 -9.7835 -6.7746 -6.7746 -4.9309 -4.9309 -3.6525 -3.6525 -3.5291 -3.5291 -1.8224 -1.8224 -0.1171 -0.1171 0.4365 0.4365 1.4698 1.4698 1.8760 1.8760 2.6818 2.6818 3.5583 3.5583 4.6542 4.6542 4.9946 4.9946 6.0071 6.0071 6.5123 6.5123 8.8310 8.8310 10.2401 10.2401 10.3758 10.3758 10.8138 10.8138 11.9567 11.9567 12.2329 12.2329 13.2755 13.2755 13.7841 13.7841 14.5980 14.5980 15.0185 15.0185 16.0305 16.0305 16.6248 16.6248 k = 0.0000 0.0000 0.1959 ( 2312 PWs) bands (ev): -9.7561 -9.7561 -6.7955 -6.7955 -5.0212 -5.0212 -3.6416 -3.6416 -3.5784 -3.5784 -1.7193 -1.7193 0.0060 0.0060 0.4261 0.4261 1.5129 1.5129 1.8428 1.8428 2.6305 2.6305 3.5061 3.5061 4.7366 4.7366 5.0080 5.0080 6.0204 6.0204 6.3622 6.3622 8.8410 8.8410 10.1705 10.1705 10.4321 10.4321 10.8104 10.8104 12.0220 12.0220 12.2431 12.2431 13.3654 13.3654 13.7148 13.7148 14.4488 14.4488 15.0893 15.0893 16.0801 16.0801 16.6001 16.6001 k = 0.0000 0.0000 0.2099 ( 2311 PWs) bands (ev): -9.7267 -9.7267 -6.8169 -6.8169 -5.1140 -5.1140 -3.7229 -3.7229 -3.5277 -3.5277 -1.6147 -1.6147 0.1269 0.1269 0.4176 0.4176 1.5395 1.5395 1.8252 1.8252 2.5809 2.5809 3.4532 3.4532 4.8055 4.8055 5.0281 5.0281 6.0245 6.0245 6.2301 6.2301 8.8518 8.8518 10.0899 10.0899 10.4778 10.4778 10.8177 10.8177 12.0516 12.0516 12.3034 12.3034 13.4317 13.4317 13.6684 13.6684 14.2928 14.2928 15.1659 15.1659 16.1294 16.1294 16.5745 16.5745 k = 0.0000 0.0000 0.2239 ( 2316 PWs) bands (ev): -9.6953 -9.6953 -6.8388 -6.8388 -5.2088 -5.2088 -3.8088 -3.8088 -3.4647 -3.4647 -1.5090 -1.5090 0.2451 0.2451 0.4111 0.4111 1.5401 1.5401 1.8322 1.8322 2.5335 2.5335 3.4002 3.4002 4.8474 4.8474 5.0658 5.0658 5.9860 5.9860 6.1516 6.1516 8.8629 8.8629 10.0046 10.0046 10.5041 10.5041 10.8409 10.8409 12.0554 12.0554 12.4020 12.4020 13.4342 13.4342 13.6849 13.6849 14.1344 14.1344 15.2435 15.2435 16.1772 16.1772 16.5498 16.5498 k = 0.0000 0.0000 0.2379 ( 2315 PWs) bands (ev): -9.6620 -9.6620 -6.8610 -6.8610 -5.3050 -5.3050 -3.8921 -3.8921 -3.3970 -3.3970 -1.4025 -1.4025 0.3602 0.3602 0.4067 0.4067 1.5154 1.5154 1.8629 1.8629 2.4887 2.4887 3.3475 3.3475 4.8553 4.8553 5.1248 5.1248 5.8881 5.8881 6.1468 6.1468 8.8735 8.8735 9.9185 9.9185 10.5063 10.5063 10.8837 10.8837 12.0541 12.0541 12.5154 12.5154 13.3789 13.3789 13.7582 13.7582 13.9767 13.9767 15.3196 15.3196 16.2201 16.2201 16.5300 16.5300 k = 0.0000 0.0000 0.2519 ( 2318 PWs) bands (ev): -9.6267 -9.6267 -6.8836 -6.8836 -5.4024 -5.4024 -3.9720 -3.9720 -3.3256 -3.3256 -1.2955 -1.2955 0.4044 0.4044 0.4719 0.4719 1.4744 1.4744 1.9069 1.9069 2.4474 2.4474 3.2957 3.2957 4.8361 4.8361 5.1931 5.1931 5.7810 5.7810 6.1707 6.1707 8.8827 8.8827 9.8345 9.8345 10.4869 10.4869 10.9433 10.9433 12.0568 12.0568 12.6308 12.6308 13.3032 13.3032 13.8165 13.8165 13.8572 13.8572 15.3921 15.3921 16.2512 16.2512 16.5225 16.5225 k = 0.0000 0.0000 0.2659 ( 2318 PWs) bands (ev): -9.5895 -9.5895 -6.9065 -6.9065 -5.5005 -5.5005 -4.0485 -4.0485 -3.2508 -3.2508 -1.1884 -1.1884 0.4043 0.4043 0.5793 0.5793 1.4252 1.4252 1.9547 1.9547 2.4115 2.4115 3.2453 3.2453 4.7971 4.7971 5.2537 5.2537 5.6917 5.6917 6.2061 6.2061 8.8890 8.8890 9.7551 9.7551 10.4520 10.4520 11.0140 11.0140 12.0662 12.0662 12.7390 12.7390 13.2201 13.2201 13.6769 13.6769 13.9516 13.9516 15.4594 15.4594 16.2617 16.2617 16.5364 16.5364 k = 0.0000 0.0000 0.2799 ( 2321 PWs) bands (ev): -9.5504 -9.5504 -6.9297 -6.9297 -5.5990 -5.5990 -4.1213 -4.1213 -3.1731 -3.1731 -1.0813 -1.0813 0.4066 0.4066 0.6816 0.6816 1.3725 1.3725 1.9983 1.9983 2.3843 2.3843 3.1966 3.1966 4.7420 4.7420 5.2838 5.2838 5.6430 5.6430 6.2498 6.2498 8.8902 8.8902 9.6833 9.6833 10.4069 10.4069 11.0910 11.0910 12.0827 12.0827 12.8278 12.8278 13.1326 13.1326 13.5549 13.5549 14.0517 14.0517 15.5206 15.5206 16.2492 16.2492 16.5745 16.5745 k = 0.0000 0.0000 0.2939 ( 2320 PWs) bands (ev): -9.5094 -9.5094 -6.9532 -6.9532 -5.6974 -5.6974 -4.1906 -4.1906 -3.0926 -3.0926 -0.9748 -0.9748 0.4112 0.4112 0.7766 0.7766 1.3205 1.3205 2.0301 2.0301 2.3710 2.3710 3.1503 3.1503 4.6729 4.6729 5.2641 5.2641 5.6525 5.6525 6.3011 6.3011 8.8840 8.8840 9.6220 9.6220 10.3556 10.3556 11.1709 11.1709 12.1052 12.1052 12.8769 12.8769 13.0405 13.0405 13.4768 13.4768 14.1522 14.1522 15.5748 15.5748 16.2205 16.2205 16.6295 16.6295 k = 0.0000 0.0000 0.3079 ( 2321 PWs) bands (ev): -9.4665 -9.4665 -6.9771 -6.9771 -5.7954 -5.7954 -4.2564 -4.2564 -3.0095 -3.0095 -0.8691 -0.8691 0.4184 0.4184 0.8595 0.8595 1.2747 1.2747 2.0428 2.0428 2.3772 2.3772 3.1067 3.1067 4.5920 4.5920 5.2079 5.2079 5.7051 5.7051 6.3602 6.3602 8.8676 8.8676 9.5742 9.5742 10.3008 10.3008 11.2512 11.2512 12.1309 12.1309 12.8614 12.8614 12.9490 12.9490 13.4650 13.4650 14.2519 14.2519 15.6220 15.6220 16.1831 16.1831 16.6930 16.6930 k = 0.0000 0.0000 0.3219 ( 2319 PWs) bands (ev): -9.4217 -9.4217 -7.0014 -7.0014 -5.8925 -5.8925 -4.3186 -4.3186 -2.9241 -2.9241 -0.7647 -0.7647 0.4282 0.4282 0.9197 0.9197 1.2465 1.2465 2.0348 2.0348 2.4032 2.4032 3.0662 3.0662 4.5019 4.5019 5.1375 5.1375 5.7761 5.7761 6.4274 6.4274 8.8389 8.8389 9.5422 9.5422 10.2447 10.2447 11.3297 11.3297 12.1543 12.1543 12.7787 12.7787 12.8738 12.8738 13.5118 13.5118 14.3501 14.3501 15.6619 15.6619 16.1421 16.1421 16.7576 16.7576 k = 0.0000 0.0000 0.3359 ( 2323 PWs) bands (ev): -9.3752 -9.3752 -7.0264 -7.0264 -5.9884 -5.9884 -4.3775 -4.3775 -2.8365 -2.8365 -0.6621 -0.6621 0.4408 0.4408 0.9400 0.9400 1.2534 1.2534 2.0112 2.0112 2.4431 2.4431 3.0292 3.0292 4.4051 4.4051 5.0630 5.0630 5.8528 5.8528 6.5028 6.5028 8.7974 8.7974 9.5268 9.5268 10.1892 10.1892 11.4040 11.4040 12.1637 12.1637 12.6771 12.6771 12.8059 12.8059 13.5895 13.5895 14.4463 14.4463 15.6945 15.6945 16.1011 16.1011 16.8154 16.8154 k = 0.0000 0.0000 0.3499 ( 2324 PWs) bands (ev): -9.3268 -9.3268 -7.0522 -7.0522 -6.0826 -6.0826 -4.4329 -4.4329 -2.7470 -2.7470 -0.5620 -0.5620 0.4564 0.4564 0.9175 0.9175 1.2983 1.2983 1.9779 1.9779 2.4901 2.4901 2.9963 2.9963 4.3043 4.3043 4.9874 4.9874 5.9302 5.9302 6.5865 6.5865 8.7444 8.7444 9.5266 9.5266 10.1356 10.1356 11.4714 11.4714 12.1377 12.1377 12.6015 12.6015 12.7416 12.7416 13.6790 13.6790 14.5400 14.5400 15.7197 15.7197 16.0632 16.0632 16.8550 16.8550 k = 0.0000 0.0000 0.3639 ( 2321 PWs) bands (ev): -9.2767 -9.2767 -7.0792 -7.0792 -6.1744 -6.1744 -4.4851 -4.4851 -2.6556 -2.6556 -0.4652 -0.4652 0.4753 0.4753 0.8694 0.8694 1.3644 1.3644 1.9394 1.9394 2.5392 2.5392 2.9679 2.9679 4.2014 4.2014 4.9115 4.9115 6.0059 6.0059 6.6781 6.6781 8.6823 8.6823 9.5395 9.5395 10.0852 10.0852 11.5290 11.5290 12.0587 12.0587 12.5726 12.5726 12.6884 12.6884 13.7707 13.7707 14.6307 14.6307 15.7371 15.7371 16.0314 16.0314 16.8633 16.8633 k = 0.0000 0.0000 0.3779 ( 2320 PWs) bands (ev): -9.2249 -9.2249 -7.1078 -7.1078 -6.2633 -6.2633 -4.5339 -4.5339 -2.5627 -2.5627 -0.3724 -0.3724 0.4976 0.4976 0.8091 0.8091 1.4377 1.4377 1.8987 1.8987 2.5870 2.5870 2.9446 2.9446 4.0982 4.0982 4.8354 4.8354 6.0792 6.0792 6.7773 6.7773 8.6136 8.6136 9.5626 9.5626 10.0389 10.0389 11.5730 11.5730 11.9371 11.9371 12.5639 12.5639 12.6687 12.6687 13.8604 13.8604 14.7178 14.7178 15.7465 15.7465 16.0085 16.0085 16.8353 16.8353 k = 0.0000 0.0000 0.3919 ( 2321 PWs) bands (ev): -9.1715 -9.1715 -7.1384 -7.1384 -6.3486 -6.3486 -4.5796 -4.5796 -2.4683 -2.4683 -0.2849 -0.2849 0.5236 0.5236 0.7431 0.7431 1.5115 1.5115 1.8582 1.8582 2.6309 2.6309 2.9273 2.9273 3.9960 3.9960 4.7590 4.7590 6.1499 6.1499 6.8831 6.8831 8.5409 8.5409 9.5937 9.5937 9.9975 9.9975 11.5988 11.5988 11.7945 11.7945 12.5373 12.5373 12.7044 12.7044 13.9456 13.9456 14.8008 14.8008 15.7481 15.7481 15.9960 15.9960 16.7794 16.7794 k = 0.0000 0.0000 0.4058 ( 2323 PWs) bands (ev): -9.1165 -9.1165 -7.1715 -7.1715 -6.4295 -6.4295 -4.6221 -4.6221 -2.3727 -2.3727 -0.2038 -0.2038 0.5533 0.5533 0.6746 0.6746 1.5804 1.5804 1.8217 1.8217 2.6687 2.6687 2.9174 2.9174 3.8957 3.8957 4.6823 4.6823 6.2183 6.2183 6.9945 6.9945 8.4660 8.4660 9.6307 9.6307 9.9614 9.9614 11.5868 11.5868 11.6608 11.6608 12.5060 12.5060 12.7720 12.7720 14.0251 14.0251 14.8789 14.8789 15.7438 15.7438 15.9934 15.9934 16.7079 16.7079 k = 0.0000 0.0000 0.4198 ( 2320 PWs) bands (ev): -9.0600 -9.0600 -7.2079 -7.2079 -6.5051 -6.5051 -4.6615 -4.6615 -2.2761 -2.2761 -0.1310 -0.1310 0.5852 0.5852 0.6072 0.6072 1.6347 1.6347 1.7988 1.7988 2.6981 2.6981 2.9162 2.9162 3.7980 3.7980 4.6054 4.6054 6.2848 6.2848 7.1103 7.1103 8.3907 8.3907 9.6718 9.6718 9.9310 9.9310 11.4615 11.4615 11.6171 11.6171 12.4803 12.4803 12.8556 12.8556 14.0986 14.0986 14.9513 14.9513 15.7364 15.7364 15.9982 15.9982 16.6305 16.6305 k = 0.0000 0.0000 0.4338 ( 2321 PWs) bands (ev): -9.0021 -9.0021 -7.2481 -7.2481 -6.5745 -6.5745 -4.6978 -4.6978 -2.1787 -2.1787 -0.0685 -0.0685 0.5375 0.5375 0.6247 0.6247 1.6541 1.6541 1.8099 1.8099 2.7178 2.7178 2.9248 2.9248 3.7036 3.7036 4.5284 4.5284 6.3498 6.3498 7.2290 7.2290 8.3169 8.3169 9.7155 9.7155 9.9062 9.9062 11.3044 11.3044 11.5866 11.5866 12.4609 12.4609 12.9498 12.9498 14.1660 14.1660 15.0166 15.0166 15.7288 15.7288 16.0066 16.0066 16.5549 16.5549 k = 0.0000 0.0000 0.4478 ( 2321 PWs) bands (ev): -8.9430 -8.9430 -7.2926 -7.2926 -6.6371 -6.6371 -4.7311 -4.7311 -2.0810 -2.0810 -0.0198 -0.0198 0.4760 0.4760 0.6640 0.6640 1.6390 1.6390 1.8550 1.8550 2.7287 2.7287 2.9422 2.9422 3.6127 3.6127 4.4518 4.4518 6.4136 6.4136 7.3483 7.3483 8.2467 8.2467 9.7598 9.7598 9.8871 9.8871 11.1465 11.1465 11.5438 11.5438 12.4458 12.4458 13.0521 13.0521 14.2277 14.2277 15.0730 15.0730 15.7229 15.7229 16.0132 16.0132 16.4895 16.4895 k = 0.0000 0.0000 0.4618 ( 2318 PWs) bands (ev): -8.8828 -8.8828 -7.3416 -7.3416 -6.6924 -6.6924 -4.7613 -4.7613 -1.9832 -1.9832 0.0100 0.0100 0.4252 0.4252 0.7047 0.7047 1.6129 1.6129 1.9113 1.9113 2.7331 2.7331 2.9661 2.9661 3.5258 3.5258 4.3757 4.3757 6.4767 6.4767 7.4644 7.4644 8.1839 8.1839 9.8011 9.8011 9.8745 9.8745 10.9928 10.9928 11.4899 11.4899 12.4323 12.4323 13.1608 13.1608 14.2842 14.2842 15.1180 15.1180 15.7199 15.7199 16.0115 16.0115 16.4441 16.4441 k = 0.0000 0.0000 0.4758 ( 2322 PWs) bands (ev): -8.8218 -8.8218 -7.3951 -7.3951 -6.7402 -6.7402 -4.7887 -4.7887 -1.8858 -1.8858 0.0146 0.0146 0.3923 0.3923 0.7448 0.7448 1.5871 1.5871 1.9682 1.9682 2.7339 2.7339 2.9940 2.9940 3.4430 3.4430 4.3007 4.3007 6.5392 6.5392 7.5699 7.5699 8.1361 8.1361 9.8278 9.8278 9.8759 9.8759 10.8475 10.8475 11.4278 11.4278 12.4182 12.4182 13.2746 13.2746 14.3357 14.3357 15.1477 15.1477 15.7205 15.7205 15.9967 15.9967 16.4271 16.4271 k = 0.0000 0.0000 0.4898 ( 2321 PWs) bands (ev): -8.7603 -8.7603 -7.4523 -7.4523 -6.7806 -6.7806 -4.8130 -4.8130 -1.7894 -1.7894 -0.0088 -0.0088 0.3812 0.3812 0.7818 0.7818 1.5661 1.5661 2.0218 2.0218 2.7331 2.7331 3.0242 3.0242 3.3649 3.3649 4.2274 4.2274 6.6013 6.6013 7.6495 7.6495 8.1184 8.1184 9.8251 9.8251 9.8999 9.8999 10.7163 10.7163 11.3599 11.3599 12.4024 12.4024 13.3925 13.3925 14.3826 14.3826 15.1583 15.1583 15.7247 15.7247 15.9718 15.9718 16.4400 16.4400 k = 0.0000 0.0000 0.5038 ( 2323 PWs) bands (ev): -8.6987 -8.6987 -7.5123 -7.5123 -6.8142 -6.8142 -4.8345 -4.8345 -1.6948 -1.6948 -0.0551 -0.0551 0.3880 0.3880 0.8135 0.8135 1.5520 1.5520 2.0706 2.0706 2.7322 2.7322 3.0554 3.0554 3.2919 3.2919 4.1563 4.1563 6.6627 6.6627 7.6840 7.6840 8.1504 8.1504 9.8042 9.8042 9.9255 9.9255 10.6079 10.6079 11.2885 11.2885 12.3845 12.3845 13.5135 13.5135 14.4248 14.4248 15.1464 15.1464 15.7308 15.7308 15.9472 15.9472 16.4770 16.4770 k = 0.0000 0.0000 0.5178 ( 2323 PWs) bands (ev): -8.6377 -8.6377 -7.5737 -7.5737 -6.8416 -6.8416 -4.8531 -4.8531 -1.6029 -1.6029 -0.1150 -0.1150 0.4048 0.4048 0.8380 0.8380 1.5459 1.5459 2.1131 2.1131 2.7328 2.7328 3.0855 3.0855 3.2258 3.2258 4.0884 4.0884 6.7231 6.7231 7.6725 7.6725 8.2331 8.2331 9.7636 9.7636 9.9432 9.9432 10.5324 10.5324 11.2155 11.2155 12.3650 12.3650 13.6365 13.6365 14.4616 14.4616 15.1112 15.1112 15.7351 15.7351 15.9341 15.9341 16.5308 16.5308 k = 0.0000 0.0000 0.5318 ( 2323 PWs) bands (ev): -8.5783 -8.5783 -7.6348 -7.6348 -6.8636 -6.8636 -4.8688 -4.8688 -1.5153 -1.5153 -0.1807 -0.1807 0.4255 0.4255 0.8546 0.8546 1.5474 1.5474 2.1487 2.1487 2.7359 2.7359 3.1050 3.1050 3.1755 3.1755 4.0247 4.0247 6.7819 6.7819 7.6345 7.6345 8.3475 8.3475 9.6954 9.6954 9.9533 9.9533 10.4956 10.4956 11.1424 11.1424 12.3451 12.3451 13.7603 13.7603 14.4918 14.4918 15.0559 15.0559 15.7342 15.7342 15.9381 15.9381 16.5957 16.5957 k = 0.0000 0.0000 0.5458 ( 2323 PWs) bands (ev): -8.5219 -8.5219 -7.6935 -7.6935 -6.8806 -6.8806 -4.8816 -4.8816 -1.4342 -1.4342 -0.2466 -0.2466 0.4466 0.4466 0.8638 0.8638 1.5548 1.5548 2.1768 2.1768 2.7425 2.7425 3.0805 3.0805 3.1741 3.1741 3.9669 3.9669 6.8379 6.8379 7.5863 7.5863 8.4784 8.4784 9.5984 9.5984 9.9598 9.9598 10.4931 10.4931 11.0712 11.0712 12.3261 12.3261 13.8835 13.8835 14.5129 14.5129 14.9870 14.9870 15.7289 15.7289 15.9562 15.9562 16.6672 16.6672 k = 0.0000 0.0000 0.5598 ( 2325 PWs) bands (ev): -8.4709 -8.4709 -7.7470 -7.7470 -6.8934 -6.8934 -4.8915 -4.8915 -1.3628 -1.3628 -0.3074 -0.3074 0.4654 0.4654 0.8672 0.8672 1.5655 1.5655 2.1973 2.1973 2.7529 2.7529 3.0349 3.0349 3.1979 3.1979 3.9170 3.9170 6.8890 6.8890 7.5376 7.5376 8.6177 8.6177 9.4791 9.4791 9.9652 9.9652 10.5133 10.5133 11.0043 11.0043 12.3094 12.3094 14.0039 14.0039 14.5209 14.5209 14.9137 14.9137 15.7221 15.7221 15.9808 15.9808 16.7410 16.7410 k = 0.0000 0.0000 0.5738 ( 2325 PWs) bands (ev): -8.4286 -8.4286 -7.7912 -7.7912 -6.9022 -6.9022 -4.8986 -4.8986 -1.3053 -1.3053 -0.3579 -0.3579 0.4804 0.4804 0.8672 0.8672 1.5761 1.5761 2.2108 2.2108 2.7661 2.7661 2.9935 2.9935 3.2209 3.2209 3.8778 3.8778 6.9318 6.9318 7.4950 7.4950 8.7615 8.7615 9.3459 9.3459 9.9697 9.9697 10.5436 10.5436 10.9455 10.9455 12.2964 12.2964 14.1176 14.1176 14.5099 14.5099 14.8488 14.8488 15.7162 15.7162 16.0045 16.0045 16.8110 16.8110 k = 0.0000 0.0000 0.5878 ( 2321 PWs) bands (ev): -8.4000 -8.4000 -7.8212 -7.8212 -6.9074 -6.9074 -4.9029 -4.9029 -1.2673 -1.2673 -0.3918 -0.3918 0.4900 0.4900 0.8660 0.8660 1.5839 1.5839 2.2184 2.2184 2.7786 2.7786 2.9635 2.9635 3.2371 3.2371 3.8524 3.8524 6.9613 6.9613 7.4651 7.4651 8.9068 8.9068 9.2056 9.2056 9.9727 9.9727 10.5717 10.5717 10.9022 10.9022 12.2881 12.2881 14.2145 14.2145 14.4780 14.4780 14.8058 14.8058 15.7124 15.7124 16.0212 16.0212 16.8662 16.8662 k = 0.0000 0.0000 0.6018 ( 2322 PWs) bands (ev): -8.3897 -8.3897 -7.8319 -7.8319 -6.9091 -6.9091 -4.9043 -4.9043 -1.2539 -1.2539 -0.4039 -0.4039 0.4934 0.4934 0.8655 0.8655 1.5868 1.5868 2.2208 2.2208 2.7841 2.7841 2.9521 2.9521 3.2428 3.2428 3.8436 3.8436 6.9720 6.9720 7.4542 7.4542 9.0277 9.0277 9.0862 9.0862 9.9738 9.9738 10.5836 10.5836 10.8854 10.8854 12.2853 12.2853 14.2610 14.2610 14.4533 14.4533 14.7913 14.7913 15.7111 15.7111 16.0273 16.0273 16.8883 16.8883 k = 0.0000-0.5076 0.2744 ( 2330 PWs) bands (ev): -8.9317 -8.9317 -8.1867 -8.1867 -4.2346 -4.2346 -4.1283 -4.1283 -2.5341 -2.5341 -1.9271 -1.9271 -1.2636 -1.2636 -1.2141 -1.2141 2.1388 2.1388 2.4249 2.4249 2.9663 2.9663 3.4096 3.4096 4.7781 4.7781 4.7903 4.7903 8.7526 8.7526 8.7666 8.7666 8.8352 8.8352 9.1560 9.1560 9.9045 9.9045 10.6657 10.6657 12.5337 12.5337 12.5835 12.5835 14.1232 14.1232 14.4805 14.4805 14.5925 14.5925 14.8664 14.8664 15.2482 15.2482 16.2715 16.2715 k = 0.0000-0.4952 0.2677 ( 2328 PWs) bands (ev): -8.9361 -8.9361 -8.1817 -8.1817 -4.2353 -4.2353 -4.1269 -4.1269 -2.5344 -2.5344 -1.9300 -1.9300 -1.3023 -1.3023 -1.1697 -1.1697 2.1278 2.1278 2.4253 2.4253 2.9731 2.9731 3.4150 3.4150 4.6906 4.6906 4.8748 4.8748 8.6989 8.6989 8.7400 8.7400 8.9007 8.9007 9.1692 9.1692 9.8980 9.8980 10.6695 10.6695 12.5087 12.5087 12.6106 12.6106 14.0962 14.0962 14.4613 14.4613 14.6166 14.6166 14.8794 14.8794 15.2540 15.2540 16.2128 16.2128 k = 0.0000-0.4828 0.2610 ( 2329 PWs) bands (ev): -8.9486 -8.9486 -8.1671 -8.1671 -4.2372 -4.2372 -4.1226 -4.1226 -2.5353 -2.5353 -1.9390 -1.9390 -1.3519 -1.3519 -1.1029 -1.1029 2.0969 2.0969 2.4253 2.4253 2.9929 2.9929 3.4309 3.4309 4.5948 4.5948 4.9616 4.9616 8.6096 8.6096 8.6999 8.6999 8.9898 8.9898 9.2035 9.2035 9.8808 9.8808 10.6799 10.6799 12.4707 12.4707 12.6547 12.6547 14.0280 14.0280 14.4106 14.4106 14.6763 14.6763 14.9099 14.9099 15.2725 15.2725 16.1485 16.1485 k = 0.0000-0.4704 0.2543 ( 2326 PWs) bands (ev): -8.9685 -8.9685 -8.1437 -8.1437 -4.2401 -4.2401 -4.1159 -4.1159 -2.5368 -2.5368 -1.9542 -1.9542 -1.3955 -1.3955 -1.0304 -1.0304 2.0507 2.0507 2.4225 2.4225 3.0243 3.0243 3.4563 3.4563 4.4972 4.4972 5.0444 5.0444 8.5202 8.5202 8.6447 8.6447 9.0732 9.0732 9.2510 9.2510 9.8590 9.8590 10.6942 10.6942 12.4332 12.4332 12.7022 12.7022 13.9385 13.9385 14.3411 14.3411 14.7512 14.7512 14.9426 14.9426 15.3065 15.3065 16.0867 16.0867 k = 0.0000-0.4581 0.2476 ( 2326 PWs) bands (ev): -8.9945 -8.9945 -8.1130 -8.1130 -4.2437 -4.2437 -4.1071 -4.1071 -2.5388 -2.5388 -1.9758 -1.9758 -1.4312 -1.4312 -0.9541 -0.9541 1.9936 1.9936 2.4156 2.4156 3.0652 3.0652 3.4898 3.4898 4.3984 4.3984 5.1225 5.1225 8.4327 8.4327 8.5814 8.5814 9.1370 9.1370 9.3109 9.3109 9.8416 9.8416 10.7095 10.7095 12.3980 12.3980 12.7513 12.7513 13.8392 13.8392 14.2613 14.2613 14.8286 14.8286 14.9678 14.9678 15.3574 15.3574 16.0294 16.0294 k = 0.0000-0.4457 0.2409 ( 2326 PWs) bands (ev): -9.0252 -9.0252 -8.0761 -8.0761 -4.2475 -4.2475 -4.0966 -4.0966 -2.5414 -2.5414 -2.0036 -2.0036 -1.4585 -1.4585 -0.8746 -0.8746 1.9290 1.9290 2.4049 2.4049 3.1132 3.1132 3.5298 3.5298 4.2993 4.2993 5.1954 5.1954 8.3478 8.3478 8.5136 8.5136 9.1665 9.1665 9.3878 9.3878 9.8376 9.8376 10.7232 10.7232 12.3655 12.3655 12.8013 12.8013 13.7358 13.7358 14.1756 14.1756 14.9010 14.9010 14.9837 14.9837 15.4226 15.4226 15.9787 15.9787 k = 0.0000-0.4333 0.2342 ( 2324 PWs) bands (ev): -9.0595 -9.0595 -8.0344 -8.0344 -4.2515 -4.2515 -4.0846 -4.0846 -2.5444 -2.5444 -2.0370 -2.0370 -1.4776 -1.4776 -0.7925 -0.7925 1.8592 1.8592 2.3910 2.3910 3.1664 3.1664 3.5738 3.5738 4.2014 4.2014 5.2624 5.2624 8.2656 8.2656 8.4431 8.4431 9.1602 9.1602 9.4782 9.4782 9.8520 9.8520 10.7337 10.7337 12.3360 12.3360 12.8515 12.8515 13.6310 13.6310 14.0866 14.0866 14.9571 14.9571 14.9997 14.9997 15.4960 15.4960 15.9370 15.9370 k = 0.0000-0.4209 0.2275 ( 2323 PWs) bands (ev): -9.0963 -9.0963 -7.9888 -7.9888 -4.2552 -4.2552 -4.0715 -4.0715 -2.5478 -2.5478 -2.0750 -2.0750 -1.4894 -1.4894 -0.7080 -0.7080 1.7860 1.7860 2.3753 2.3753 3.2229 3.2229 3.6182 3.6182 4.1074 4.1074 5.3230 5.3230 8.1862 8.1862 8.3706 8.3706 9.1272 9.1272 9.5748 9.5748 9.8837 9.8837 10.7406 10.7406 12.3094 12.3094 12.9016 12.9016 13.5261 13.5261 13.9958 13.9958 14.9722 14.9722 15.0413 15.0413 15.5692 15.5692 15.9087 15.9087 k = 0.0000-0.4085 0.2209 ( 2325 PWs) bands (ev): -9.1349 -9.1349 -7.9402 -7.9402 -4.2588 -4.2588 -4.0575 -4.0575 -2.5516 -2.5516 -2.1164 -2.1164 -1.4947 -1.4947 -0.6216 -0.6216 1.7106 1.7106 2.3587 2.3587 3.2814 3.2814 3.6558 3.6558 4.0238 4.0238 5.3766 5.3766 8.1093 8.1093 8.2960 8.2960 9.0786 9.0786 9.6718 9.6718 9.9280 9.9280 10.7448 10.7448 12.2860 12.2860 12.9509 12.9509 13.4218 13.4218 13.9042 13.9042 14.9683 14.9683 15.0871 15.0871 15.6317 15.6317 15.9010 15.9010 k = 0.0000-0.3962 0.2142 ( 2328 PWs) bands (ev): -9.1747 -9.1747 -7.8893 -7.8893 -4.2621 -4.2621 -4.0426 -4.0426 -2.5556 -2.5556 -2.1600 -2.1600 -1.4947 -1.4947 -0.5335 -0.5335 1.6340 1.6340 2.3422 2.3422 3.3405 3.3405 3.6705 3.6705 3.9665 3.9665 5.4228 5.4228 8.0343 8.0343 8.2190 8.2190 9.0237 9.0237 9.7637 9.7637 9.9807 9.9807 10.7483 10.7483 12.2657 12.2657 12.9987 12.9987 13.3184 13.3184 13.8125 13.8125 14.9593 14.9593 15.1240 15.1240 15.6738 15.6738 15.9209 15.9209 k = 0.0000-0.3838 0.2075 ( 2327 PWs) bands (ev): -9.2150 -9.2150 -7.8367 -7.8367 -4.2651 -4.2651 -4.0271 -4.0271 -2.5598 -2.5598 -2.2048 -2.2048 -1.4903 -1.4903 -0.4441 -0.4441 1.5569 1.5569 2.3265 2.3265 3.3989 3.3989 3.6412 3.6412 3.9565 3.9565 5.4611 5.4611 7.9596 7.9596 8.1404 8.1404 8.9699 8.9699 9.8430 9.8430 10.0414 10.0414 10.7543 10.7543 12.2485 12.2485 13.0441 13.0441 13.2162 13.2162 13.7216 13.7216 14.9480 14.9480 15.1496 15.1496 15.6972 15.6972 15.9648 15.9648 k = 0.0000-0.3714 0.2008 ( 2326 PWs) bands (ev): -9.2555 -9.2555 -7.7827 -7.7827 -4.2678 -4.2678 -4.0111 -4.0111 -2.5642 -2.5642 -2.2499 -2.2499 -1.4825 -1.4825 -0.3535 -0.3535 1.4800 1.4800 2.3123 2.3123 3.4524 3.4524 3.5760 3.5760 3.9887 3.9887 5.4913 5.4913 7.8823 7.8823 8.0621 8.0621 8.9221 8.9221 9.8994 9.8994 10.1133 10.1133 10.7664 10.7664 12.2344 12.2344 13.0841 13.0841 13.1171 13.1171 13.6321 13.6321 14.9355 14.9355 15.1642 15.1642 15.7133 15.7133 16.0192 16.0192 k = 0.0000-0.3590 0.1941 ( 2324 PWs) bands (ev): -9.2960 -9.2960 -7.7277 -7.7277 -4.2701 -4.2701 -3.9947 -3.9947 -2.5686 -2.5686 -2.2945 -2.2945 -1.4718 -1.4718 -0.2622 -0.2622 1.4042 1.4042 2.2999 2.2999 3.4554 3.4554 3.5408 3.5408 4.0419 4.0419 5.5132 5.5132 7.7980 7.7980 7.9884 7.9884 8.8835 8.8835 9.9274 9.9274 10.1968 10.1968 10.7880 10.7880 12.2231 12.2231 13.0145 13.0145 13.1234 13.1234 13.5459 13.5459 14.9224 14.9224 15.1692 15.1692 15.7304 15.7304 16.0738 16.0738 k = 0.0000-0.3466 0.1874 ( 2323 PWs) bands (ev): -9.3361 -9.3361 -7.6721 -7.6721 -4.2722 -4.2722 -3.9781 -3.9781 -2.5729 -2.5729 -2.3380 -2.3380 -1.4590 -1.4590 -0.1705 -0.1705 1.3299 1.3299 2.2899 2.2899 3.3693 3.3693 3.5848 3.5848 4.1044 4.1044 5.5269 5.5269 7.7025 7.7025 7.9239 7.9239 8.8556 8.8556 9.9286 9.9286 10.2873 10.2873 10.8209 10.8209 12.2145 12.2145 12.9175 12.9175 13.1490 13.1490 13.4667 13.4667 14.9093 14.9093 15.1673 15.1673 15.7511 15.7511 16.1238 16.1238 k = 0.0000-0.3343 0.1807 ( 2321 PWs) bands (ev): -9.3757 -9.3757 -7.6161 -7.6161 -4.2741 -4.2741 -3.9613 -3.9613 -2.5771 -2.5771 -2.3801 -2.3801 -1.4445 -1.4445 -0.0790 -0.0790 1.2581 1.2581 2.2825 2.2825 3.2694 3.2694 3.6371 3.6371 4.1715 4.1715 5.5325 5.5325 7.5948 7.5948 7.8707 7.8707 8.8385 8.8385 9.9077 9.9077 10.3799 10.3799 10.8648 10.8648 12.2078 12.2078 12.8238 12.8238 13.1551 13.1551 13.4033 13.4033 14.8964 14.8964 15.1616 15.1616 15.7751 15.7751 16.1676 16.1676 k = 0.0000-0.3219 0.1740 ( 2319 PWs) bands (ev): -9.4145 -9.4145 -7.5600 -7.5600 -4.2758 -4.2758 -3.9447 -3.9447 -2.5812 -2.5812 -2.4201 -2.4201 -1.4288 -1.4288 0.0116 0.0116 1.1897 1.1897 2.2779 2.2779 3.1662 3.1662 3.6884 3.6884 4.2409 4.2409 5.5303 5.5303 7.4768 7.4768 7.8284 7.8284 8.8313 8.8313 9.8697 9.8697 10.4708 10.4708 10.9178 10.9178 12.2016 12.2016 12.7356 12.7356 13.1273 13.1273 13.3691 13.3691 14.8838 14.8838 15.1552 15.1552 15.8012 15.8012 16.2053 16.2053 k = 0.0000-0.3095 0.1673 ( 2320 PWs) bands (ev): -9.4525 -9.4525 -7.5040 -7.5040 -4.2775 -4.2775 -3.9282 -3.9282 -2.5852 -2.5852 -2.4577 -2.4577 -1.4123 -1.4123 0.1004 0.1004 1.1260 1.1260 2.2764 2.2764 3.0619 3.0619 3.7375 3.7375 4.3112 4.3112 5.5208 5.5208 7.3512 7.3512 7.7957 7.7957 8.8327 8.8327 9.8191 9.8191 10.5579 10.5579 10.9775 10.9775 12.1934 12.1934 12.6564 12.6564 13.0660 13.0660 13.3631 13.3631 14.8716 14.8716 15.1506 15.1506 15.8280 15.8280 16.2376 16.2376 k = 0.0000-0.2971 0.1606 ( 2324 PWs) bands (ev): -9.4896 -9.4896 -7.4482 -7.4482 -4.2791 -4.2791 -3.9120 -3.9120 -2.5892 -2.5892 -2.4924 -2.4924 -1.3955 -1.3955 0.1857 0.1857 1.0687 1.0687 2.2782 2.2782 2.9573 2.9573 3.7837 3.7837 4.3814 4.3814 5.5046 5.5046 7.2206 7.2206 7.7718 7.7718 8.8406 8.8406 9.7603 9.7603 10.6391 10.6391 11.0411 11.0411 12.1787 12.1787 12.5918 12.5918 12.9861 12.9861 13.3699 13.3699 14.8600 14.8600 15.1500 15.1500 15.8541 15.8541 16.2653 16.2653 k = 0.0000-0.2847 0.1539 ( 2326 PWs) bands (ev): -9.5257 -9.5257 -7.3929 -7.3929 -4.2807 -4.2807 -3.8963 -3.8963 -2.5940 -2.5940 -2.5231 -2.5231 -1.3788 -1.3788 0.2652 0.2652 1.0208 1.0208 2.2832 2.2832 2.8529 2.8529 3.8267 3.8267 4.4507 4.4507 5.4823 5.4823 7.0871 7.0871 7.7560 7.7560 8.8529 8.8529 9.6972 9.6972 10.7130 10.7130 11.1064 11.1064 12.1520 12.1520 12.5487 12.5487 12.8980 12.8980 13.3790 13.3790 14.8490 14.8490 15.1548 15.1548 15.8784 15.8784 16.2896 16.2896 k = 0.0000-0.2724 0.1472 ( 2324 PWs) bands (ev): -9.5605 -9.5605 -7.3382 -7.3382 -4.2824 -4.2824 -3.8812 -3.8812 -2.6014 -2.6014 -2.5476 -2.5476 -1.3625 -1.3625 0.3351 0.3351 0.9860 0.9860 2.2915 2.2915 2.7492 2.7492 3.8663 3.8663 4.5181 4.5181 5.4546 5.4546 6.9525 6.9525 7.7480 7.7480 8.8667 8.8667 9.6336 9.6336 10.7778 10.7778 11.1712 11.1712 12.1102 12.1102 12.5314 12.5314 12.8067 12.8067 13.3857 13.3857 14.8392 14.8392 15.1659 15.1659 15.8997 15.8997 16.3113 16.3113 k = 0.0000-0.2600 0.1405 ( 2323 PWs) bands (ev): -9.5942 -9.5942 -7.2843 -7.2843 -4.2843 -4.2843 -3.8668 -3.8668 -2.6146 -2.6146 -2.5626 -2.5626 -1.3471 -1.3471 0.3904 0.3904 0.9697 0.9697 2.3030 2.3030 2.6466 2.6466 3.9024 3.9024 4.5825 4.5825 5.4221 5.4221 6.8186 6.8186 7.7473 7.7473 8.8790 8.8790 9.5732 9.5732 10.8320 10.8320 11.2339 11.2339 12.0562 12.0562 12.5376 12.5376 12.7154 12.7154 13.3881 13.3881 14.8308 14.8308 15.1835 15.1835 15.9171 15.9171 16.3316 16.3316 k = 0.0000-0.2476 0.1338 ( 2322 PWs) bands (ev): -9.6266 -9.6266 -7.2313 -7.2313 -4.2865 -4.2865 -3.8533 -3.8533 -2.6333 -2.6333 -2.5682 -2.5682 -1.3330 -1.3330 0.4262 0.4262 0.9773 0.9773 2.3170 2.3170 2.5462 2.5462 3.9348 3.9348 4.6429 4.6429 5.3857 5.3857 6.6869 6.6869 7.7537 7.7537 8.8862 8.8862 9.5200 9.5200 10.8739 10.8739 11.2930 11.2930 11.9967 11.9967 12.5548 12.5548 12.6330 12.6330 13.3858 13.3858 14.8244 14.8244 15.2076 15.2076 15.9297 15.9297 16.3514 16.3514 k = 0.0000-0.2352 0.1272 ( 2323 PWs) bands (ev): -9.6577 -9.6577 -7.1795 -7.1795 -4.2889 -4.2889 -3.8407 -3.8407 -2.6538 -2.6538 -2.5679 -2.5679 -1.3207 -1.3207 0.4411 0.4411 1.0103 1.0103 2.3296 2.3296 2.4520 2.4520 3.9634 3.9634 4.6977 4.6977 5.3460 5.3460 6.5593 6.5593 7.7669 7.7669 8.8849 8.8849 9.4775 9.4775 10.9017 10.9017 11.3475 11.3475 11.9380 11.9380 12.5138 12.5138 12.6248 12.6248 13.3791 13.3791 14.8203 14.8203 15.2378 15.2378 15.9367 15.9367 16.3716 16.3716 k = 0.0000-0.2228 0.1205 ( 2319 PWs) bands (ev): -9.6874 -9.6874 -7.1290 -7.1290 -4.2918 -4.2918 -3.8290 -3.8290 -2.6737 -2.6737 -2.5641 -2.5641 -1.3107 -1.3107 0.4393 0.4393 1.0650 1.0650 2.3089 2.3089 2.3960 2.3960 3.9884 3.9884 4.7450 4.7450 5.3037 5.3037 6.4375 6.4375 7.7866 7.7866 8.8727 8.8727 9.4482 9.4482 10.9137 10.9137 11.3964 11.3964 11.8851 11.8851 12.4306 12.4306 12.6717 12.6717 13.3689 13.3689 14.8188 14.8188 15.2733 15.2733 15.9379 15.9379 16.3927 16.3927 k = 0.0000-0.2105 0.1138 ( 2321 PWs) bands (ev): -9.7157 -9.7157 -7.0800 -7.0800 -4.2950 -4.2950 -3.8183 -3.8183 -2.6922 -2.6922 -2.5574 -2.5574 -1.3033 -1.3033 0.4272 0.4272 1.1349 1.1349 2.2268 2.2268 2.4066 2.4066 4.0097 4.0097 4.7825 4.7825 5.2597 5.2597 6.3239 6.3239 7.8124 7.8124 8.8493 8.8493 9.4322 9.4322 10.9086 10.9086 11.4395 11.4395 11.8414 11.8414 12.3473 12.3473 12.7287 12.7287 13.3572 13.3572 14.8201 14.8201 15.3134 15.3134 15.9330 15.9330 16.4151 16.4151 k = 0.0000-0.1981 0.1071 ( 2322 PWs) bands (ev): -9.7425 -9.7425 -7.0325 -7.0325 -4.2987 -4.2987 -3.8086 -3.8086 -2.7091 -2.7091 -2.5482 -2.5482 -1.2990 -1.2990 0.4110 0.4110 1.2145 1.2145 2.1326 2.1326 2.4348 2.4348 4.0273 4.0273 4.8074 4.8074 5.2151 5.2151 6.2207 6.2207 7.8440 7.8440 8.8170 8.8170 9.4273 9.4273 10.8863 10.8863 11.4764 11.4764 11.8085 11.8085 12.2688 12.2688 12.7878 12.7878 13.3473 13.3473 14.8239 14.8239 15.3571 15.3571 15.9223 15.9223 16.4389 16.4389 k = 0.0000-0.1857 0.1004 ( 2323 PWs) bands (ev): -9.7679 -9.7679 -6.9868 -6.9868 -4.3028 -4.3028 -3.7999 -3.7999 -2.7245 -2.7245 -2.5365 -2.5365 -1.2982 -1.2982 0.3947 0.3947 1.2996 1.2996 2.0375 2.0375 2.4693 2.4693 4.0414 4.0414 4.8164 4.8164 5.1711 5.1711 6.1302 6.1302 7.8808 7.8808 8.7793 8.7793 9.4293 9.4293 10.8480 10.8480 11.5069 11.5069 11.7865 11.7865 12.1971 12.1971 12.8417 12.8417 13.3447 13.3447 14.8302 14.8302 15.4032 15.4032 15.9063 15.9063 16.4641 16.4641 k = 0.0000-0.1733 0.0937 ( 2322 PWs) bands (ev): -9.7917 -9.7917 -6.9430 -6.9430 -4.3073 -4.3073 -3.7921 -3.7921 -2.7383 -2.7383 -2.5223 -2.5223 -1.3010 -1.3010 0.3811 0.3811 1.3875 1.3875 1.9434 1.9434 2.5086 2.5086 4.0519 4.0519 4.8061 4.8061 5.1294 5.1294 6.0544 6.0544 7.9226 7.9226 8.7403 8.7403 9.4342 9.4342 10.7958 10.7958 11.5311 11.5311 11.7740 11.7740 12.1340 12.1340 12.8822 12.8822 13.3566 13.3566 14.8386 14.8386 15.4507 15.4507 15.8857 15.8857 16.4904 16.4904 k = 0.0000-0.1609 0.0870 ( 2324 PWs) bands (ev): -9.8140 -9.8140 -6.9013 -6.9013 -4.3122 -4.3122 -3.7851 -3.7851 -2.7508 -2.7508 -2.5058 -2.5058 -1.3077 -1.3077 0.3717 0.3717 1.4761 1.4761 1.8512 1.8512 2.5523 2.5523 4.0589 4.0589 4.7747 4.7747 5.0915 5.0915 5.9944 5.9944 7.9689 7.9689 8.7031 8.7031 9.4384 9.4384 10.7327 10.7327 11.5488 11.5488 11.7694 11.7694 12.0810 12.0810 12.9018 12.9018 13.3897 13.3897 14.8483 14.8483 15.4984 15.4984 15.8615 15.8615 16.5176 16.5176 k = 0.0000-0.1486 0.0803 ( 2323 PWs) bands (ev): -9.8348 -9.8348 -6.8619 -6.8619 -4.3174 -4.3174 -3.7790 -3.7790 -2.7621 -2.7621 -2.4871 -2.4871 -1.3183 -1.3183 0.3677 0.3677 1.5626 1.5626 1.7623 1.7623 2.6003 2.6003 4.0626 4.0626 4.7226 4.7226 5.0575 5.0575 5.9497 5.9497 8.0191 8.0191 8.6703 8.6703 9.4389 9.4389 10.6616 10.6616 11.5603 11.5603 11.7709 11.7709 12.0388 12.0388 12.8985 12.8985 13.4454 13.4454 14.8586 14.8586 15.5446 15.5446 15.8354 15.8354 16.5453 16.5453 k = 0.0000-0.1362 0.0736 ( 2323 PWs) bands (ev): -9.8539 -9.8539 -6.8248 -6.8248 -4.3229 -4.3229 -3.7735 -3.7735 -2.7722 -2.7722 -2.4664 -2.4664 -1.3324 -1.3324 0.3696 0.3696 1.6276 1.6276 1.6955 1.6955 2.6524 2.6524 4.0630 4.0630 4.6530 4.6530 5.0267 5.0267 5.9184 5.9184 8.0729 8.0729 8.6435 8.6435 9.4338 9.4338 10.5853 10.5853 11.5662 11.5662 11.7775 11.7775 12.0075 12.0075 12.8763 12.8763 13.5191 13.5191 14.8684 14.8684 15.5871 15.5871 15.8095 15.8095 16.5729 16.5729 k = 0.0000-0.1238 0.0669 ( 2322 PWs) bands (ev): -9.8715 -9.8715 -6.7904 -6.7904 -4.3285 -4.3285 -3.7686 -3.7686 -2.7813 -2.7813 -2.4440 -2.4440 -1.3498 -1.3498 0.3776 0.3776 1.5722 1.5722 1.7488 1.7488 2.7088 2.7088 4.0603 4.0603 4.5696 4.5696 4.9982 4.9982 5.8978 5.8978 8.1297 8.1297 8.6241 8.6241 9.4214 9.4214 10.5058 10.5058 11.5682 11.5682 11.7878 11.7878 11.9863 11.9863 12.8409 12.8409 13.6050 13.6050 14.8764 14.8764 15.6220 15.6220 15.7882 15.7882 16.6001 16.6001 k = 0.0000-0.1114 0.0602 ( 2328 PWs) bands (ev): -9.8874 -9.8874 -6.7586 -6.7586 -4.3341 -4.3341 -3.7644 -3.7644 -2.7895 -2.7895 -2.4204 -2.4204 -1.3701 -1.3701 0.3917 0.3917 1.4897 1.4897 1.8280 1.8280 2.7693 2.7693 4.0548 4.0548 4.4764 4.4764 4.9719 4.9719 5.8848 5.8848 8.1890 8.1890 8.6126 8.6126 9.4011 9.4011 10.4253 10.4253 11.5682 11.5682 11.8006 11.8006 11.9740 11.9740 12.7969 12.7969 13.6983 13.6983 14.8809 14.8809 15.6422 15.6422 15.7790 15.7790 16.6261 16.6261 k = 0.0000-0.0990 0.0535 ( 2327 PWs) bands (ev): -9.9017 -9.9017 -6.7297 -6.7297 -4.3397 -4.3397 -3.7606 -3.7606 -2.7968 -2.7968 -2.3959 -2.3959 -1.3924 -1.3924 0.4117 0.4117 1.4075 1.4075 1.9050 1.9050 2.8339 2.8339 4.0469 4.0469 4.3766 4.3766 4.9480 4.9480 5.8768 5.8768 8.2502 8.2502 8.6091 8.6091 9.3727 9.3727 10.3454 10.3454 11.5681 11.5681 11.8143 11.8143 11.9697 11.9697 12.7473 12.7473 13.7957 13.7957 14.8803 14.8803 15.6425 15.6425 15.7878 15.7878 16.6494 16.6494 k = 0.0000-0.0867 0.0468 ( 2326 PWs) bands (ev): -9.9143 -9.9143 -6.7039 -6.7039 -4.3450 -4.3450 -3.7573 -3.7573 -2.8031 -2.8031 -2.3712 -2.3712 -1.4159 -1.4159 0.4372 0.4372 1.3275 1.3275 1.9772 1.9772 2.9027 2.9027 4.0368 4.0368 4.2726 4.2726 4.9267 4.9267 5.8717 5.8717 8.3127 8.3127 8.6131 8.6131 9.3364 9.3364 10.2680 10.2680 11.5695 11.5695 11.8268 11.8268 11.9732 11.9732 12.6943 12.6943 13.8949 13.8949 14.8727 14.8727 15.6296 15.6296 15.8088 15.8088 16.6660 16.6660 k = 0.0000-0.0743 0.0402 ( 2328 PWs) bands (ev): -9.9253 -9.9253 -6.6811 -6.6811 -4.3499 -4.3499 -3.7545 -3.7545 -2.8087 -2.8087 -2.3470 -2.3470 -1.4399 -1.4399 0.4676 0.4676 1.2502 1.2502 2.0432 2.0432 2.9755 2.9755 4.0249 4.0249 4.1669 4.1669 4.9084 4.9084 5.8681 5.8681 8.3756 8.3756 8.6238 8.6238 9.2933 9.2933 10.1946 10.1946 11.5728 11.5728 11.8366 11.8366 11.9844 11.9844 12.6397 12.6397 13.9944 13.9944 14.8565 14.8565 15.6131 15.6131 15.8330 15.8330 16.6654 16.6654 k = 0.0000-0.0619 0.0335 ( 2329 PWs) bands (ev): -9.9346 -9.9346 -6.6617 -6.6617 -4.3544 -4.3544 -3.7521 -3.7521 -2.8134 -2.8134 -2.3240 -2.3240 -1.4631 -1.4631 0.5021 0.5021 1.1765 1.1765 2.1017 2.1017 3.0522 3.0522 4.0089 4.0089 4.0642 4.0642 4.8930 4.8930 5.8652 5.8652 8.4379 8.4379 8.6399 8.6399 9.2446 9.2446 10.1271 10.1271 11.5778 11.5778 11.8428 11.8428 12.0029 12.0029 12.5851 12.5851 14.0928 14.0928 14.8305 14.8305 15.5981 15.5981 15.8558 15.8558 16.6494 16.6494 k = 0.0000-0.0495 0.0268 ( 2327 PWs) bands (ev): -9.9422 -9.9422 -6.6456 -6.6456 -4.3582 -4.3582 -3.7502 -3.7502 -2.8172 -2.8172 -2.3032 -2.3032 -1.4844 -1.4844 0.5397 0.5397 1.1071 1.1071 2.1515 2.1515 3.1324 3.1324 3.9449 3.9449 4.0105 4.0105 4.8807 4.8807 5.8627 5.8627 8.4978 8.4978 8.6600 8.6600 9.1923 9.1923 10.0676 10.0676 11.5838 11.5838 11.8459 11.8459 12.0271 12.0271 12.5320 12.5320 14.1892 14.1892 14.7940 14.7940 15.5866 15.5866 15.8752 15.8752 16.6309 16.6309 k = 0.0000-0.0371 0.0201 ( 2328 PWs) bands (ev): -9.9481 -9.9481 -6.6330 -6.6330 -4.3613 -4.3613 -3.7486 -3.7486 -2.8202 -2.8202 -2.2856 -2.2856 -1.5027 -1.5027 0.5786 0.5786 1.0436 1.0436 2.1916 2.1916 3.2153 3.2153 3.8442 3.8442 3.9974 3.9974 4.8713 4.8713 5.8606 5.8606 8.5519 8.5519 8.6829 8.6829 9.1394 9.1394 10.0181 10.0181 11.5900 11.5900 11.8468 11.8468 12.0544 12.0544 12.4827 12.4827 14.2823 14.2823 14.7476 14.7476 15.5788 15.5788 15.8904 15.8904 16.6149 16.6149 k = 0.0000-0.0248 0.0134 ( 2329 PWs) bands (ev): -9.9524 -9.9524 -6.6239 -6.6239 -4.3636 -4.3636 -3.7475 -3.7475 -2.8224 -2.8224 -2.2721 -2.2721 -1.5168 -1.5168 0.6156 0.6156 0.9892 0.9892 2.2210 2.2210 3.2986 3.2986 3.7462 3.7462 3.9889 3.9889 4.8648 4.8648 5.8588 5.8588 8.5953 8.5953 8.7075 8.7075 9.0903 9.0903 9.9807 9.9807 11.5954 11.5954 11.8466 11.8466 12.0810 12.0810 12.4406 12.4406 14.3705 14.3705 14.6925 14.6925 15.5741 15.5741 15.9012 15.9012 16.6028 16.6028 k = 0.0000-0.0124 0.0067 ( 2329 PWs) bands (ev): -9.9549 -9.9549 -6.6184 -6.6184 -4.3650 -4.3650 -3.7469 -3.7469 -2.8237 -2.8237 -2.2635 -2.2635 -1.5257 -1.5257 0.6447 0.6447 0.9498 0.9498 2.2390 2.2390 3.3750 3.3750 3.6606 3.6606 3.9837 3.9837 4.8609 4.8609 5.8577 5.8577 8.6226 8.6226 8.7298 8.7298 9.0528 9.0528 9.9574 9.9574 11.5990 11.5990 11.8462 11.8462 12.1017 12.1017 12.4107 12.4107 14.4500 14.4500 14.6327 14.6327 15.5718 15.5718 15.9077 15.9077 16.5954 16.5954 k = 0.0000 0.0000 0.0000 ( 2327 PWs) bands (ev): -9.9558 -9.9558 -6.6166 -6.6166 -4.3654 -4.3654 -3.7467 -3.7467 -2.8241 -2.8241 -2.2606 -2.2606 -1.5288 -1.5288 0.6564 0.6564 0.9347 0.9347 2.2451 2.2451 3.4140 3.4140 3.6184 3.6184 3.9819 3.9819 4.8596 4.8596 5.8574 5.8574 8.6317 8.6317 8.7397 8.7397 9.0381 9.0381 9.9495 9.9495 11.6003 11.6003 11.8460 11.8460 12.1098 12.1098 12.3996 12.3996 14.4959 14.4959 14.5934 14.5934 15.5711 15.5711 15.9098 15.9098 16.5929 16.5929 Writing output data file BC5.save init_run : 1.62s CPU 11.32s WALL ( 1 calls) electrons : 465.22s CPU 471.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.39s CPU 1.58s WALL ( 1 calls) Called by electrons: c_bands : 465.16s CPU 470.94s WALL ( 1 calls) v_of_rho : 0.22s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.08s WALL ( 1 calls) v_xc : 0.21s CPU 0.62s WALL ( 1 calls) newd : 0.31s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 324 calls) cegterg : 431.30s CPU 434.55s WALL ( 636 calls) Called by sum_band: Called by *egterg: h_psi : 171.86s CPU 178.13s WALL ( 9604 calls) s_psi : 17.54s CPU 17.94s WALL ( 9604 calls) g_psi : 0.36s CPU 0.36s WALL ( 8644 calls) cdiaghg : 190.00s CPU 188.11s WALL ( 8968 calls) cegterg:over : 40.08s CPU 38.18s WALL ( 8644 calls) cegterg:upda : 5.15s CPU 7.37s WALL ( 8644 calls) cegterg:last : 4.99s CPU 5.55s WALL ( 1608 calls) Called by h_psi: h_psi:vloc : 122.74s CPU 127.57s WALL ( 9604 calls) h_psi:vnl : 48.97s CPU 50.08s WALL ( 9604 calls) add_vuspsi : 12.25s CPU 15.21s WALL ( 9604 calls) General routines calbec : 36.67s CPU 34.77s WALL ( 9604 calls) fft : 0.17s CPU 0.85s WALL ( 19 calls) ffts : 0.03s CPU 0.10s WALL ( 4 calls) fftw : 114.17s CPU 118.71s WALL ( 1136336 calls) interpolate : 0.04s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 0.92s WALL ( 648 calls) Parallel routines fft_scatter : 81.50s CPU 82.44s WALL ( 1136359 calls) PWSCF : 8m26.50s CPU 9m39.02s WALL This run was terminated on: 23: 6: 6 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=