Program PWSCF v.5.1.1 starts on 21Jul2015 at 6:46:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlI.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 36 31 9 1122 875 136 Max 37 32 10 1127 896 139 Sum 1763 1503 433 53971 42549 6639 bravais-lattice index = 14 lattice parameter (alat) = 12.9488 a.u. unit-cell volume = 1043.9423 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.948805 celldm(2)= 1.000000 celldm(3)= 0.764716 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.777597 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.777597 0.628763 0.000000 ) a(3) = ( 0.000000 0.000000 0.764716 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.236709 -0.000000 ) b(2) = ( 0.000000 1.590424 -0.000000 ) b(3) = ( 0.000000 0.000000 1.307674 ) PseudoPot. # 1 for Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0072123 0.0203900 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0144245 0.0407801 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0216368 0.0611702 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0288491 0.0815602 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0360614 0.1019503 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0432736 0.1223403 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0504859 0.1427304 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0576982 0.1631205 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0649104 0.1835105 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0721227 0.2039006 -0.0000000), wk = 0.0028736 k( 12) = ( 0.0793350 0.2242906 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0865473 0.2446807 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0937595 0.2650707 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1009718 0.2854608 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1081841 0.3058508 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1153963 0.3262409 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1226086 0.3466309 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1298209 0.3670210 -0.0000000), wk = 0.0028736 k( 20) = ( 0.1370332 0.3874111 -0.0000000), wk = 0.0028736 k( 21) = ( 0.1442454 0.4078011 -0.0000000), wk = 0.0028736 k( 22) = ( 0.1514577 0.4281912 -0.0000000), wk = 0.0028736 k( 23) = ( 0.1586700 0.4485812 -0.0000000), wk = 0.0028736 k( 24) = ( 0.1658823 0.4689713 -0.0000000), wk = 0.0028736 k( 25) = ( 0.1730945 0.4893613 -0.0000000), wk = 0.0028736 k( 26) = ( 0.1803068 0.5097514 -0.0000000), wk = 0.0028736 k( 27) = ( 0.1875191 0.5301414 -0.0000000), wk = 0.0028736 k( 28) = ( 0.1947313 0.5505315 -0.0000000), wk = 0.0028736 k( 29) = ( 0.2019436 0.5709215 -0.0000000), wk = 0.0028736 k( 30) = ( 0.2091559 0.5913116 -0.0000000), wk = 0.0028736 k( 31) = ( 0.2163682 0.6117017 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2235804 0.6320917 -0.0000000), wk = 0.0028736 k( 33) = ( 0.2307927 0.6524818 -0.0000000), wk = 0.0028736 k( 34) = ( 0.2380050 0.6728718 -0.0000000), wk = 0.0028736 k( 35) = ( 0.2452172 0.6932619 -0.0000000), wk = 0.0028736 k( 36) = ( 0.2524295 0.7136519 -0.0000000), wk = 0.0028736 k( 37) = ( 0.2596418 0.7340420 -0.0000000), wk = 0.0028736 k( 38) = ( 0.2668541 0.7544320 -0.0000000), wk = 0.0028736 k( 39) = ( 0.2740663 0.7748221 -0.0000000), wk = 0.0028736 k( 40) = ( 0.2812786 0.7952122 -0.0000000), wk = 0.0028736 k( 41) = ( 0.2812786 0.7952122 -0.0000000), wk = 0.0028736 k( 42) = ( 0.2596418 0.7952122 -0.0000000), wk = 0.0028736 k( 43) = ( 0.2380050 0.7952122 -0.0000000), wk = 0.0028736 k( 44) = ( 0.2163682 0.7952122 -0.0000000), wk = 0.0028736 k( 45) = ( 0.1947313 0.7952122 -0.0000000), wk = 0.0028736 k( 46) = ( 0.1730945 0.7952122 -0.0000000), wk = 0.0028736 k( 47) = ( 0.1514577 0.7952122 -0.0000000), wk = 0.0028736 k( 48) = ( 0.1298209 0.7952121 -0.0000000), wk = 0.0028736 k( 49) = ( 0.1081841 0.7952122 -0.0000000), wk = 0.0028736 k( 50) = ( 0.0865473 0.7952122 -0.0000000), wk = 0.0028736 k( 51) = ( 0.0649104 0.7952122 -0.0000000), wk = 0.0028736 k( 52) = ( 0.0432736 0.7952122 -0.0000000), wk = 0.0028736 k( 53) = ( 0.0216368 0.7952122 -0.0000000), wk = 0.0028736 k( 54) = ( 0.0000000 0.7952122 -0.0000000), wk = 0.0028736 k( 55) = ( 0.0000000 0.7952122 -0.0000000), wk = 0.0028736 k( 56) = ( 0.0000000 0.7952122 0.0217946), wk = 0.0028736 k( 57) = ( 0.0000000 0.7952122 0.0435891), wk = 0.0028736 k( 58) = ( 0.0000000 0.7952122 0.0653837), wk = 0.0028736 k( 59) = ( 0.0000000 0.7952122 0.0871783), wk = 0.0028736 k( 60) = ( 0.0000000 0.7952122 0.1089729), wk = 0.0028736 k( 61) = ( 0.0000000 0.7952122 0.1307674), wk = 0.0028736 k( 62) = ( 0.0000000 0.7952122 0.1525620), wk = 0.0028736 k( 63) = ( 0.0000000 0.7952122 0.1743566), wk = 0.0028736 k( 64) = ( 0.0000000 0.7952122 0.1961511), wk = 0.0028736 k( 65) = ( 0.0000000 0.7952122 0.2179457), wk = 0.0028736 k( 66) = ( 0.0000000 0.7952122 0.2397403), wk = 0.0028736 k( 67) = ( 0.0000000 0.7952122 0.2615349), wk = 0.0028736 k( 68) = ( 0.0000000 0.7952122 0.2833294), wk = 0.0028736 k( 69) = ( 0.0000000 0.7952122 0.3051240), wk = 0.0028736 k( 70) = ( 0.0000000 0.7952122 0.3269186), wk = 0.0028736 k( 71) = ( 0.0000000 0.7952122 0.3487131), wk = 0.0028736 k( 72) = ( 0.0000000 0.7952122 0.3705077), wk = 0.0028736 k( 73) = ( 0.0000000 0.7952122 0.3923023), wk = 0.0028736 k( 74) = ( 0.0000000 0.7952122 0.4140969), wk = 0.0028736 k( 75) = ( 0.0000000 0.7952122 0.4358914), wk = 0.0028736 k( 76) = ( 0.0000000 0.7952122 0.4576860), wk = 0.0028736 k( 77) = ( 0.0000000 0.7952122 0.4794806), wk = 0.0028736 k( 78) = ( 0.0000000 0.7952122 0.5012751), wk = 0.0028736 k( 79) = ( 0.0000000 0.7952122 0.5230697), wk = 0.0028736 k( 80) = ( 0.0000000 0.7952122 0.5448643), wk = 0.0028736 k( 81) = ( 0.0000000 0.7952122 0.5666588), wk = 0.0028736 k( 82) = ( 0.0000000 0.7952122 0.5884534), wk = 0.0028736 k( 83) = ( 0.0000000 0.7952122 0.6102480), wk = 0.0028736 k( 84) = ( 0.0000000 0.7952122 0.6320426), wk = 0.0028736 k( 85) = ( 0.0000000 0.7952122 0.6538371), wk = 0.0028736 k( 86) = ( 0.0000000 0.7952122 0.6538371), wk = 0.0028736 k( 87) = ( 0.0216368 0.7952122 0.6538371), wk = 0.0028736 k( 88) = ( 0.0432736 0.7952122 0.6538371), wk = 0.0028736 k( 89) = ( 0.0649104 0.7952122 0.6538371), wk = 0.0028736 k( 90) = ( 0.0865473 0.7952122 0.6538371), wk = 0.0028736 k( 91) = ( 0.1081841 0.7952122 0.6538371), wk = 0.0028736 k( 92) = ( 0.1298209 0.7952121 0.6538371), wk = 0.0028736 k( 93) = ( 0.1514577 0.7952122 0.6538371), wk = 0.0028736 k( 94) = ( 0.1730945 0.7952122 0.6538371), wk = 0.0028736 k( 95) = ( 0.1947313 0.7952122 0.6538371), wk = 0.0028736 k( 96) = ( 0.2163682 0.7952122 0.6538371), wk = 0.0028736 k( 97) = ( 0.2380050 0.7952122 0.6538371), wk = 0.0028736 k( 98) = ( 0.2596418 0.7952122 0.6538371), wk = 0.0028736 k( 99) = ( 0.2812786 0.7952122 0.6538371), wk = 0.0028736 k( 100) = ( 0.2812786 0.7952122 0.6538371), wk = 0.0028736 k( 101) = ( 0.2740663 0.7748221 0.6538371), wk = 0.0028736 k( 102) = ( 0.2668541 0.7544320 0.6538371), wk = 0.0028736 k( 103) = ( 0.2596418 0.7340420 0.6538371), wk = 0.0028736 k( 104) = ( 0.2524295 0.7136519 0.6538371), wk = 0.0028736 k( 105) = ( 0.2452172 0.6932619 0.6538371), wk = 0.0028736 k( 106) = ( 0.2380050 0.6728718 0.6538371), wk = 0.0028736 k( 107) = ( 0.2307927 0.6524818 0.6538371), wk = 0.0028736 k( 108) = ( 0.2235804 0.6320917 0.6538371), wk = 0.0028736 k( 109) = ( 0.2163682 0.6117017 0.6538371), wk = 0.0028736 k( 110) = ( 0.2091559 0.5913116 0.6538371), wk = 0.0028736 k( 111) = ( 0.2019436 0.5709215 0.6538371), wk = 0.0028736 k( 112) = ( 0.1947313 0.5505315 0.6538371), wk = 0.0028736 k( 113) = ( 0.1875191 0.5301414 0.6538371), wk = 0.0028736 k( 114) = ( 0.1803068 0.5097514 0.6538371), wk = 0.0028736 k( 115) = ( 0.1730945 0.4893613 0.6538371), wk = 0.0028736 k( 116) = ( 0.1658823 0.4689713 0.6538371), wk = 0.0028736 k( 117) = ( 0.1586700 0.4485812 0.6538371), wk = 0.0028736 k( 118) = ( 0.1514577 0.4281912 0.6538371), wk = 0.0028736 k( 119) = ( 0.1442454 0.4078011 0.6538371), wk = 0.0028736 k( 120) = ( 0.1370332 0.3874111 0.6538371), wk = 0.0028736 k( 121) = ( 0.1298209 0.3670210 0.6538371), wk = 0.0028736 k( 122) = ( 0.1226086 0.3466309 0.6538371), wk = 0.0028736 k( 123) = ( 0.1153963 0.3262409 0.6538371), wk = 0.0028736 k( 124) = ( 0.1081841 0.3058508 0.6538371), wk = 0.0028736 k( 125) = ( 0.1009718 0.2854608 0.6538371), wk = 0.0028736 k( 126) = ( 0.0937595 0.2650707 0.6538371), wk = 0.0028736 k( 127) = ( 0.0865473 0.2446807 0.6538371), wk = 0.0028736 k( 128) = ( 0.0793350 0.2242906 0.6538371), wk = 0.0028736 k( 129) = ( 0.0721227 0.2039006 0.6538371), wk = 0.0028736 k( 130) = ( 0.0649104 0.1835105 0.6538371), wk = 0.0028736 k( 131) = ( 0.0576982 0.1631205 0.6538371), wk = 0.0028736 k( 132) = ( 0.0504859 0.1427304 0.6538371), wk = 0.0028736 k( 133) = ( 0.0432736 0.1223403 0.6538371), wk = 0.0028736 k( 134) = ( 0.0360614 0.1019503 0.6538371), wk = 0.0028736 k( 135) = ( 0.0288491 0.0815602 0.6538371), wk = 0.0028736 k( 136) = ( 0.0216368 0.0611702 0.6538371), wk = 0.0028736 k( 137) = ( 0.0144245 0.0407801 0.6538371), wk = 0.0028736 k( 138) = ( 0.0072123 0.0203900 0.6538371), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.6538371), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.6538371), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.6320426), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.6102480), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.5884534), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.5666588), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.5448643), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.5230697), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.5012751), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.4794806), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.4576860), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.4358914), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.4140969), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3923023), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3705077), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.3487131), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3269186), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3051240), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.2833294), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.2615349), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.2397403), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.2179457), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.1961511), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.1743566), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.1525620), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.1307674), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.1089729), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.0871783), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.0653837), wk = 0.0028736 k( 168) = ( 0.0000000 0.0000000 0.0435891), wk = 0.0028736 k( 169) = ( 0.0000000 0.0000000 0.0217946), wk = 0.0028736 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 172) = ( -0.0200000 0.0070743 -0.0000000), wk = 0.0028736 k( 173) = ( -0.0400000 0.0141486 -0.0000000), wk = 0.0028736 k( 174) = ( -0.0600000 0.0212229 -0.0000000), wk = 0.0028736 k( 175) = ( -0.0800000 0.0282972 -0.0000000), wk = 0.0028736 k( 176) = ( -0.1000000 0.0353715 -0.0000000), wk = 0.0028736 k( 177) = ( -0.1200000 0.0424458 -0.0000000), wk = 0.0028736 k( 178) = ( -0.1400000 0.0495201 -0.0000000), wk = 0.0028736 k( 179) = ( -0.1600000 0.0565944 -0.0000000), wk = 0.0028736 k( 180) = ( -0.1800000 0.0636687 -0.0000000), wk = 0.0028736 k( 181) = ( -0.2000000 0.0707430 -0.0000000), wk = 0.0028736 k( 182) = ( -0.2200000 0.0778173 -0.0000000), wk = 0.0028736 k( 183) = ( -0.2400000 0.0848916 -0.0000000), wk = 0.0028736 k( 184) = ( -0.2600000 0.0919659 -0.0000000), wk = 0.0028736 k( 185) = ( -0.2800000 0.0990402 -0.0000000), wk = 0.0028736 k( 186) = ( -0.3000000 0.1061146 -0.0000000), wk = 0.0028736 k( 187) = ( -0.3200000 0.1131889 -0.0000000), wk = 0.0028736 k( 188) = ( -0.3400000 0.1202632 -0.0000000), wk = 0.0028736 k( 189) = ( -0.3600000 0.1273375 -0.0000000), wk = 0.0028736 k( 190) = ( -0.3800000 0.1344118 -0.0000000), wk = 0.0028736 k( 191) = ( -0.4000000 0.1414861 -0.0000000), wk = 0.0028736 k( 192) = ( -0.4200000 0.1485604 -0.0000000), wk = 0.0028736 k( 193) = ( -0.4400000 0.1556347 -0.0000000), wk = 0.0028736 k( 194) = ( -0.4600000 0.1627090 -0.0000000), wk = 0.0028736 k( 195) = ( -0.4800000 0.1697833 -0.0000000), wk = 0.0028736 k( 196) = ( -0.5000000 0.1768576 -0.0000000), wk = 0.0028736 k( 197) = ( -0.5000000 0.1768576 -0.0000000), wk = 0.0028736 k( 198) = ( -0.4929445 0.1968045 -0.0000000), wk = 0.0028736 k( 199) = ( -0.4858889 0.2167514 -0.0000000), wk = 0.0028736 k( 200) = ( -0.4788334 0.2366984 -0.0000000), wk = 0.0028736 k( 201) = ( -0.4717779 0.2566453 -0.0000000), wk = 0.0028736 k( 202) = ( -0.4647224 0.2765922 -0.0000000), wk = 0.0028736 k( 203) = ( -0.4576668 0.2965391 -0.0000000), wk = 0.0028736 k( 204) = ( -0.4506113 0.3164860 -0.0000000), wk = 0.0028736 k( 205) = ( -0.4435558 0.3364330 -0.0000000), wk = 0.0028736 k( 206) = ( -0.4365002 0.3563799 -0.0000000), wk = 0.0028736 k( 207) = ( -0.4294447 0.3763268 -0.0000000), wk = 0.0028736 k( 208) = ( -0.4223892 0.3962737 -0.0000000), wk = 0.0028736 k( 209) = ( -0.4153336 0.4162207 -0.0000000), wk = 0.0028736 k( 210) = ( -0.4082781 0.4361676 -0.0000000), wk = 0.0028736 k( 211) = ( -0.4012226 0.4561145 -0.0000000), wk = 0.0028736 k( 212) = ( -0.3941671 0.4760614 -0.0000000), wk = 0.0028736 k( 213) = ( -0.3871115 0.4960083 -0.0000000), wk = 0.0028736 k( 214) = ( -0.3800560 0.5159553 -0.0000000), wk = 0.0028736 k( 215) = ( -0.3730005 0.5359022 -0.0000000), wk = 0.0028736 k( 216) = ( -0.3659449 0.5558491 -0.0000000), wk = 0.0028736 k( 217) = ( -0.3588894 0.5757960 -0.0000000), wk = 0.0028736 k( 218) = ( -0.3518339 0.5957430 -0.0000000), wk = 0.0028736 k( 219) = ( -0.3447784 0.6156899 -0.0000000), wk = 0.0028736 k( 220) = ( -0.3377228 0.6356368 -0.0000000), wk = 0.0028736 k( 221) = ( -0.3306673 0.6555837 -0.0000000), wk = 0.0028736 k( 222) = ( -0.3236118 0.6755306 -0.0000000), wk = 0.0028736 k( 223) = ( -0.3165562 0.6954776 -0.0000000), wk = 0.0028736 k( 224) = ( -0.3095007 0.7154245 -0.0000000), wk = 0.0028736 k( 225) = ( -0.3024452 0.7353714 -0.0000000), wk = 0.0028736 k( 226) = ( -0.2953897 0.7553183 -0.0000000), wk = 0.0028736 k( 227) = ( -0.2883341 0.7752653 -0.0000000), wk = 0.0028736 k( 228) = ( -0.2812786 0.7952121 -0.0000000), wk = 0.0028736 k( 229) = ( -0.2812786 0.7952121 -0.0000000), wk = 0.0028736 k( 230) = ( -0.2812786 0.7952121 0.0217946), wk = 0.0028736 k( 231) = ( -0.2812786 0.7952121 0.0435891), wk = 0.0028736 k( 232) = ( -0.2812786 0.7952121 0.0653837), wk = 0.0028736 k( 233) = ( -0.2812786 0.7952121 0.0871783), wk = 0.0028736 k( 234) = ( -0.2812786 0.7952121 0.1089729), wk = 0.0028736 k( 235) = ( -0.2812786 0.7952121 0.1307674), wk = 0.0028736 k( 236) = ( -0.2812786 0.7952121 0.1525620), wk = 0.0028736 k( 237) = ( -0.2812786 0.7952121 0.1743566), wk = 0.0028736 k( 238) = ( -0.2812786 0.7952121 0.1961511), wk = 0.0028736 k( 239) = ( -0.2812786 0.7952121 0.2179457), wk = 0.0028736 k( 240) = ( -0.2812786 0.7952121 0.2397403), wk = 0.0028736 k( 241) = ( -0.2812786 0.7952121 0.2615349), wk = 0.0028736 k( 242) = ( -0.2812786 0.7952121 0.2833294), wk = 0.0028736 k( 243) = ( -0.2812786 0.7952121 0.3051240), wk = 0.0028736 k( 244) = ( -0.2812786 0.7952121 0.3269186), wk = 0.0028736 k( 245) = ( -0.2812786 0.7952121 0.3487131), wk = 0.0028736 k( 246) = ( -0.2812786 0.7952121 0.3705077), wk = 0.0028736 k( 247) = ( -0.2812786 0.7952121 0.3923023), wk = 0.0028736 k( 248) = ( -0.2812786 0.7952121 0.4140969), wk = 0.0028736 k( 249) = ( -0.2812786 0.7952121 0.4358914), wk = 0.0028736 k( 250) = ( -0.2812786 0.7952121 0.4576860), wk = 0.0028736 k( 251) = ( -0.2812786 0.7952121 0.4794806), wk = 0.0028736 k( 252) = ( -0.2812786 0.7952121 0.5012751), wk = 0.0028736 k( 253) = ( -0.2812786 0.7952121 0.5230697), wk = 0.0028736 k( 254) = ( -0.2812786 0.7952121 0.5448643), wk = 0.0028736 k( 255) = ( -0.2812786 0.7952121 0.5666588), wk = 0.0028736 k( 256) = ( -0.2812786 0.7952121 0.5884534), wk = 0.0028736 k( 257) = ( -0.2812786 0.7952121 0.6102480), wk = 0.0028736 k( 258) = ( -0.2812786 0.7952121 0.6320426), wk = 0.0028736 k( 259) = ( -0.2812786 0.7952121 0.6538371), wk = 0.0028736 k( 260) = ( -0.2812786 0.7952121 0.6538371), wk = 0.0028736 k( 261) = ( -0.2883341 0.7752653 0.6538371), wk = 0.0028736 k( 262) = ( -0.2953897 0.7553183 0.6538371), wk = 0.0028736 k( 263) = ( -0.3024452 0.7353714 0.6538371), wk = 0.0028736 k( 264) = ( -0.3095007 0.7154245 0.6538371), wk = 0.0028736 k( 265) = ( -0.3165562 0.6954776 0.6538371), wk = 0.0028736 k( 266) = ( -0.3236118 0.6755306 0.6538371), wk = 0.0028736 k( 267) = ( -0.3306673 0.6555837 0.6538371), wk = 0.0028736 k( 268) = ( -0.3377228 0.6356368 0.6538371), wk = 0.0028736 k( 269) = ( -0.3447784 0.6156899 0.6538371), wk = 0.0028736 k( 270) = ( -0.3518339 0.5957430 0.6538371), wk = 0.0028736 k( 271) = ( -0.3588894 0.5757960 0.6538371), wk = 0.0028736 k( 272) = ( -0.3659449 0.5558491 0.6538371), wk = 0.0028736 k( 273) = ( -0.3730005 0.5359022 0.6538371), wk = 0.0028736 k( 274) = ( -0.3800560 0.5159553 0.6538371), wk = 0.0028736 k( 275) = ( -0.3871115 0.4960083 0.6538371), wk = 0.0028736 k( 276) = ( -0.3941671 0.4760614 0.6538371), wk = 0.0028736 k( 277) = ( -0.4012226 0.4561145 0.6538371), wk = 0.0028736 k( 278) = ( -0.4082781 0.4361676 0.6538371), wk = 0.0028736 k( 279) = ( -0.4153336 0.4162207 0.6538371), wk = 0.0028736 k( 280) = ( -0.4223892 0.3962737 0.6538371), wk = 0.0028736 k( 281) = ( -0.4294447 0.3763268 0.6538371), wk = 0.0028736 k( 282) = ( -0.4365002 0.3563799 0.6538371), wk = 0.0028736 k( 283) = ( -0.4435558 0.3364330 0.6538371), wk = 0.0028736 k( 284) = ( -0.4506113 0.3164860 0.6538371), wk = 0.0028736 k( 285) = ( -0.4576668 0.2965391 0.6538371), wk = 0.0028736 k( 286) = ( -0.4647224 0.2765922 0.6538371), wk = 0.0028736 k( 287) = ( -0.4717779 0.2566453 0.6538371), wk = 0.0028736 k( 288) = ( -0.4788334 0.2366984 0.6538371), wk = 0.0028736 k( 289) = ( -0.4858889 0.2167514 0.6538371), wk = 0.0028736 k( 290) = ( -0.4929445 0.1968045 0.6538371), wk = 0.0028736 k( 291) = ( -0.5000000 0.1768576 0.6538371), wk = 0.0028736 k( 292) = ( -0.5000000 0.1768576 0.6538371), wk = 0.0028736 k( 293) = ( -0.5000000 0.1768576 0.6320426), wk = 0.0028736 k( 294) = ( -0.5000000 0.1768576 0.6102480), wk = 0.0028736 k( 295) = ( -0.5000000 0.1768576 0.5884534), wk = 0.0028736 k( 296) = ( -0.5000000 0.1768576 0.5666588), wk = 0.0028736 k( 297) = ( -0.5000000 0.1768576 0.5448643), wk = 0.0028736 k( 298) = ( -0.5000000 0.1768576 0.5230697), wk = 0.0028736 k( 299) = ( -0.5000000 0.1768576 0.5012751), wk = 0.0028736 k( 300) = ( -0.5000000 0.1768576 0.4794806), wk = 0.0028736 k( 301) = ( -0.5000000 0.1768576 0.4576860), wk = 0.0028736 k( 302) = ( -0.5000000 0.1768576 0.4358914), wk = 0.0028736 k( 303) = ( -0.5000000 0.1768576 0.4140969), wk = 0.0028736 k( 304) = ( -0.5000000 0.1768576 0.3923023), wk = 0.0028736 k( 305) = ( -0.5000000 0.1768576 0.3705077), wk = 0.0028736 k( 306) = ( -0.5000000 0.1768576 0.3487131), wk = 0.0028736 k( 307) = ( -0.5000000 0.1768576 0.3269186), wk = 0.0028736 k( 308) = ( -0.5000000 0.1768576 0.3051240), wk = 0.0028736 k( 309) = ( -0.5000000 0.1768576 0.2833294), wk = 0.0028736 k( 310) = ( -0.5000000 0.1768576 0.2615349), wk = 0.0028736 k( 311) = ( -0.5000000 0.1768576 0.2397403), wk = 0.0028736 k( 312) = ( -0.5000000 0.1768576 0.2179457), wk = 0.0028736 k( 313) = ( -0.5000000 0.1768576 0.1961511), wk = 0.0028736 k( 314) = ( -0.5000000 0.1768576 0.1743566), wk = 0.0028736 k( 315) = ( -0.5000000 0.1768576 0.1525620), wk = 0.0028736 k( 316) = ( -0.5000000 0.1768576 0.1307674), wk = 0.0028736 k( 317) = ( -0.5000000 0.1768576 0.1089729), wk = 0.0028736 k( 318) = ( -0.5000000 0.1768576 0.0871783), wk = 0.0028736 k( 319) = ( -0.5000000 0.1768576 0.0653837), wk = 0.0028736 k( 320) = ( -0.5000000 0.1768576 0.0435891), wk = 0.0028736 k( 321) = ( -0.5000000 0.1768576 0.0217946), wk = 0.0028736 k( 322) = ( -0.5000000 0.1768576 -0.0000000), wk = 0.0028736 k( 323) = ( 0.0000000 0.0000000 0.6538371), wk = 0.0028736 k( 324) = ( -0.0200000 0.0070743 0.6538371), wk = 0.0028736 k( 325) = ( -0.0400000 0.0141486 0.6538371), wk = 0.0028736 k( 326) = ( -0.0600000 0.0212229 0.6538371), wk = 0.0028736 k( 327) = ( -0.0800000 0.0282972 0.6538371), wk = 0.0028736 k( 328) = ( -0.1000000 0.0353715 0.6538371), wk = 0.0028736 k( 329) = ( -0.1200000 0.0424458 0.6538371), wk = 0.0028736 k( 330) = ( -0.1400000 0.0495201 0.6538371), wk = 0.0028736 k( 331) = ( -0.1600000 0.0565944 0.6538371), wk = 0.0028736 k( 332) = ( -0.1800000 0.0636687 0.6538371), wk = 0.0028736 k( 333) = ( -0.2000000 0.0707430 0.6538371), wk = 0.0028736 k( 334) = ( -0.2200000 0.0778173 0.6538371), wk = 0.0028736 k( 335) = ( -0.2400000 0.0848916 0.6538371), wk = 0.0028736 k( 336) = ( -0.2600000 0.0919659 0.6538371), wk = 0.0028736 k( 337) = ( -0.2800000 0.0990402 0.6538371), wk = 0.0028736 k( 338) = ( -0.3000000 0.1061146 0.6538371), wk = 0.0028736 k( 339) = ( -0.3200000 0.1131889 0.6538371), wk = 0.0028736 k( 340) = ( -0.3400000 0.1202632 0.6538371), wk = 0.0028736 k( 341) = ( -0.3600000 0.1273375 0.6538371), wk = 0.0028736 k( 342) = ( -0.3800000 0.1344118 0.6538371), wk = 0.0028736 k( 343) = ( -0.4000000 0.1414861 0.6538371), wk = 0.0028736 k( 344) = ( -0.4200000 0.1485604 0.6538371), wk = 0.0028736 k( 345) = ( -0.4400000 0.1556347 0.6538371), wk = 0.0028736 k( 346) = ( -0.4600000 0.1627090 0.6538371), wk = 0.0028736 k( 347) = ( -0.4800000 0.1697833 0.6538371), wk = 0.0028736 k( 348) = ( -0.5000000 0.1768576 0.6538371), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0072123 0.0072123 0.0000000), wk = 0.0028736 k( 3) = ( 0.0144245 0.0144245 0.0000000), wk = 0.0028736 k( 4) = ( 0.0216368 0.0216368 0.0000000), wk = 0.0028736 k( 5) = ( 0.0288491 0.0288491 0.0000000), wk = 0.0028736 k( 6) = ( 0.0360614 0.0360614 0.0000000), wk = 0.0028736 k( 7) = ( 0.0432736 0.0432736 0.0000000), wk = 0.0028736 k( 8) = ( 0.0504859 0.0504859 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0576982 0.0576982 0.0000000), wk = 0.0028736 k( 10) = ( 0.0649104 0.0649105 0.0000000), wk = 0.0028736 k( 11) = ( 0.0721227 0.0721227 0.0000000), wk = 0.0028736 k( 12) = ( 0.0793350 0.0793350 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0865473 0.0865473 0.0000000), wk = 0.0028736 k( 14) = ( 0.0937595 0.0937595 0.0000000), wk = 0.0028736 k( 15) = ( 0.1009718 0.1009718 0.0000000), wk = 0.0028736 k( 16) = ( 0.1081841 0.1081841 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1153963 0.1153963 0.0000000), wk = 0.0028736 k( 18) = ( 0.1226086 0.1226086 0.0000000), wk = 0.0028736 k( 19) = ( 0.1298209 0.1298209 0.0000000), wk = 0.0028736 k( 20) = ( 0.1370332 0.1370332 0.0000000), wk = 0.0028736 k( 21) = ( 0.1442454 0.1442454 0.0000000), wk = 0.0028736 k( 22) = ( 0.1514577 0.1514577 0.0000000), wk = 0.0028736 k( 23) = ( 0.1586700 0.1586700 -0.0000000), wk = 0.0028736 k( 24) = ( 0.1658823 0.1658823 0.0000000), wk = 0.0028736 k( 25) = ( 0.1730945 0.1730945 0.0000000), wk = 0.0028736 k( 26) = ( 0.1803068 0.1803068 -0.0000000), wk = 0.0028736 k( 27) = ( 0.1875191 0.1875191 0.0000000), wk = 0.0028736 k( 28) = ( 0.1947313 0.1947313 0.0000000), wk = 0.0028736 k( 29) = ( 0.2019436 0.2019436 0.0000000), wk = 0.0028736 k( 30) = ( 0.2091559 0.2091559 0.0000000), wk = 0.0028736 k( 31) = ( 0.2163682 0.2163682 -0.0000000), wk = 0.0028736 k( 32) = ( 0.2235804 0.2235804 0.0000000), wk = 0.0028736 k( 33) = ( 0.2307927 0.2307927 0.0000000), wk = 0.0028736 k( 34) = ( 0.2380050 0.2380050 0.0000000), wk = 0.0028736 k( 35) = ( 0.2452172 0.2452173 0.0000000), wk = 0.0028736 k( 36) = ( 0.2524295 0.2524295 0.0000000), wk = 0.0028736 k( 37) = ( 0.2596418 0.2596418 0.0000000), wk = 0.0028736 k( 38) = ( 0.2668541 0.2668541 0.0000000), wk = 0.0028736 k( 39) = ( 0.2740663 0.2740663 -0.0000000), wk = 0.0028736 k( 40) = ( 0.2812786 0.2812786 0.0000000), wk = 0.0028736 k( 41) = ( 0.2812786 0.2812786 0.0000000), wk = 0.0028736 k( 42) = ( 0.2596418 0.2981033 0.0000000), wk = 0.0028736 k( 43) = ( 0.2380050 0.3149281 0.0000000), wk = 0.0028736 k( 44) = ( 0.2163682 0.3317528 0.0000000), wk = 0.0028736 k( 45) = ( 0.1947313 0.3485775 -0.0000000), wk = 0.0028736 k( 46) = ( 0.1730945 0.3654022 0.0000000), wk = 0.0028736 k( 47) = ( 0.1514577 0.3822269 0.0000000), wk = 0.0028736 k( 48) = ( 0.1298209 0.3990517 0.0000000), wk = 0.0028736 k( 49) = ( 0.1081841 0.4158764 0.0000000), wk = 0.0028736 k( 50) = ( 0.0865473 0.4327011 0.0000000), wk = 0.0028736 k( 51) = ( 0.0649104 0.4495258 0.0000000), wk = 0.0028736 k( 52) = ( 0.0432736 0.4663505 -0.0000000), wk = 0.0028736 k( 53) = ( 0.0216368 0.4831753 0.0000000), wk = 0.0028736 k( 54) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 55) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 56) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0028736 k( 57) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028736 k( 58) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028736 k( 59) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028736 k( 60) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0028736 k( 61) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028736 k( 62) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0028736 k( 63) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028736 k( 64) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028736 k( 65) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 66) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0028736 k( 67) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028736 k( 68) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0028736 k( 69) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028736 k( 70) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028736 k( 71) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028736 k( 72) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0028736 k( 73) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028736 k( 74) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0028736 k( 75) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 76) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028736 k( 77) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028736 k( 78) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0028736 k( 79) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028736 k( 80) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0028736 k( 81) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028736 k( 82) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028736 k( 83) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028736 k( 84) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0028736 k( 85) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 86) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 87) = ( 0.0216368 0.4831753 0.5000000), wk = 0.0028736 k( 88) = ( 0.0432736 0.4663505 0.5000000), wk = 0.0028736 k( 89) = ( 0.0649104 0.4495258 0.5000000), wk = 0.0028736 k( 90) = ( 0.0865473 0.4327011 0.5000000), wk = 0.0028736 k( 91) = ( 0.1081841 0.4158764 0.5000000), wk = 0.0028736 k( 92) = ( 0.1298209 0.3990517 0.5000000), wk = 0.0028736 k( 93) = ( 0.1514577 0.3822269 0.5000000), wk = 0.0028736 k( 94) = ( 0.1730945 0.3654022 0.5000000), wk = 0.0028736 k( 95) = ( 0.1947313 0.3485775 0.5000000), wk = 0.0028736 k( 96) = ( 0.2163682 0.3317528 0.5000000), wk = 0.0028736 k( 97) = ( 0.2380050 0.3149281 0.5000000), wk = 0.0028736 k( 98) = ( 0.2596418 0.2981033 0.5000000), wk = 0.0028736 k( 99) = ( 0.2812786 0.2812786 0.5000000), wk = 0.0028736 k( 100) = ( 0.2812786 0.2812786 0.5000000), wk = 0.0028736 k( 101) = ( 0.2740663 0.2740663 0.5000000), wk = 0.0028736 k( 102) = ( 0.2668541 0.2668541 0.5000000), wk = 0.0028736 k( 103) = ( 0.2596418 0.2596418 0.5000000), wk = 0.0028736 k( 104) = ( 0.2524295 0.2524295 0.5000000), wk = 0.0028736 k( 105) = ( 0.2452172 0.2452173 0.5000000), wk = 0.0028736 k( 106) = ( 0.2380050 0.2380050 0.5000000), wk = 0.0028736 k( 107) = ( 0.2307927 0.2307927 0.5000000), wk = 0.0028736 k( 108) = ( 0.2235804 0.2235804 0.5000000), wk = 0.0028736 k( 109) = ( 0.2163682 0.2163682 0.5000000), wk = 0.0028736 k( 110) = ( 0.2091559 0.2091559 0.5000000), wk = 0.0028736 k( 111) = ( 0.2019436 0.2019436 0.5000000), wk = 0.0028736 k( 112) = ( 0.1947313 0.1947313 0.5000000), wk = 0.0028736 k( 113) = ( 0.1875191 0.1875191 0.5000000), wk = 0.0028736 k( 114) = ( 0.1803068 0.1803068 0.5000000), wk = 0.0028736 k( 115) = ( 0.1730945 0.1730945 0.5000000), wk = 0.0028736 k( 116) = ( 0.1658823 0.1658823 0.5000000), wk = 0.0028736 k( 117) = ( 0.1586700 0.1586700 0.5000000), wk = 0.0028736 k( 118) = ( 0.1514577 0.1514577 0.5000000), wk = 0.0028736 k( 119) = ( 0.1442454 0.1442454 0.5000000), wk = 0.0028736 k( 120) = ( 0.1370332 0.1370332 0.5000000), wk = 0.0028736 k( 121) = ( 0.1298209 0.1298209 0.5000000), wk = 0.0028736 k( 122) = ( 0.1226086 0.1226086 0.5000000), wk = 0.0028736 k( 123) = ( 0.1153963 0.1153963 0.5000000), wk = 0.0028736 k( 124) = ( 0.1081841 0.1081841 0.5000000), wk = 0.0028736 k( 125) = ( 0.1009718 0.1009718 0.5000000), wk = 0.0028736 k( 126) = ( 0.0937595 0.0937595 0.5000000), wk = 0.0028736 k( 127) = ( 0.0865473 0.0865473 0.5000000), wk = 0.0028736 k( 128) = ( 0.0793350 0.0793350 0.5000000), wk = 0.0028736 k( 129) = ( 0.0721227 0.0721227 0.5000000), wk = 0.0028736 k( 130) = ( 0.0649104 0.0649105 0.5000000), wk = 0.0028736 k( 131) = ( 0.0576982 0.0576982 0.5000000), wk = 0.0028736 k( 132) = ( 0.0504859 0.0504859 0.5000000), wk = 0.0028736 k( 133) = ( 0.0432736 0.0432736 0.5000000), wk = 0.0028736 k( 134) = ( 0.0360614 0.0360614 0.5000000), wk = 0.0028736 k( 135) = ( 0.0288491 0.0288491 0.5000000), wk = 0.0028736 k( 136) = ( 0.0216368 0.0216368 0.5000000), wk = 0.0028736 k( 137) = ( 0.0144245 0.0144245 0.5000000), wk = 0.0028736 k( 138) = ( 0.0072123 0.0072123 0.5000000), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028736 k( 168) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028736 k( 169) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0028736 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 172) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0028736 k( 173) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0028736 k( 174) = ( -0.0600000 0.0600000 -0.0000000), wk = 0.0028736 k( 175) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0028736 k( 176) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0028736 k( 177) = ( -0.1200000 0.1200000 -0.0000000), wk = 0.0028736 k( 178) = ( -0.1400000 0.1400000 -0.0000000), wk = 0.0028736 k( 179) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0028736 k( 180) = ( -0.1800000 0.1800000 -0.0000000), wk = 0.0028736 k( 181) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0028736 k( 182) = ( -0.2200000 0.2200000 -0.0000000), wk = 0.0028736 k( 183) = ( -0.2400000 0.2400000 -0.0000000), wk = 0.0028736 k( 184) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0028736 k( 185) = ( -0.2800000 0.2800000 -0.0000000), wk = 0.0028736 k( 186) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0028736 k( 187) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0028736 k( 188) = ( -0.3400000 0.3400000 0.0000000), wk = 0.0028736 k( 189) = ( -0.3600000 0.3600000 -0.0000000), wk = 0.0028736 k( 190) = ( -0.3800000 0.3800000 0.0000000), wk = 0.0028736 k( 191) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0028736 k( 192) = ( -0.4200000 0.4200000 0.0000000), wk = 0.0028736 k( 193) = ( -0.4400000 0.4400000 -0.0000000), wk = 0.0028736 k( 194) = ( -0.4600000 0.4600000 -0.0000000), wk = 0.0028736 k( 195) = ( -0.4800000 0.4800000 -0.0000000), wk = 0.0028736 k( 196) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 197) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 198) = ( -0.4929445 0.5070555 -0.0000000), wk = 0.0028736 k( 199) = ( -0.4858889 0.5141111 0.0000000), wk = 0.0028736 k( 200) = ( -0.4788334 0.5211666 -0.0000000), wk = 0.0028736 k( 201) = ( -0.4717779 0.5282221 0.0000000), wk = 0.0028736 k( 202) = ( -0.4647224 0.5352776 0.0000000), wk = 0.0028736 k( 203) = ( -0.4576668 0.5423332 0.0000000), wk = 0.0028736 k( 204) = ( -0.4506113 0.5493887 -0.0000000), wk = 0.0028736 k( 205) = ( -0.4435558 0.5564442 0.0000000), wk = 0.0028736 k( 206) = ( -0.4365002 0.5634998 0.0000000), wk = 0.0028736 k( 207) = ( -0.4294447 0.5705553 0.0000000), wk = 0.0028736 k( 208) = ( -0.4223892 0.5776108 0.0000000), wk = 0.0028736 k( 209) = ( -0.4153336 0.5846664 -0.0000000), wk = 0.0028736 k( 210) = ( -0.4082781 0.5917219 0.0000000), wk = 0.0028736 k( 211) = ( -0.4012226 0.5987774 0.0000000), wk = 0.0028736 k( 212) = ( -0.3941671 0.6058329 0.0000000), wk = 0.0028736 k( 213) = ( -0.3871115 0.6128885 0.0000000), wk = 0.0028736 k( 214) = ( -0.3800560 0.6199440 -0.0000000), wk = 0.0028736 k( 215) = ( -0.3730005 0.6269995 -0.0000000), wk = 0.0028736 k( 216) = ( -0.3659449 0.6340550 0.0000000), wk = 0.0028736 k( 217) = ( -0.3588894 0.6411106 0.0000000), wk = 0.0028736 k( 218) = ( -0.3518339 0.6481661 -0.0000000), wk = 0.0028736 k( 219) = ( -0.3447784 0.6552216 0.0000000), wk = 0.0028736 k( 220) = ( -0.3377228 0.6622772 0.0000000), wk = 0.0028736 k( 221) = ( -0.3306673 0.6693327 -0.0000000), wk = 0.0028736 k( 222) = ( -0.3236118 0.6763882 0.0000000), wk = 0.0028736 k( 223) = ( -0.3165562 0.6834438 0.0000000), wk = 0.0028736 k( 224) = ( -0.3095007 0.6904993 0.0000000), wk = 0.0028736 k( 225) = ( -0.3024452 0.6975548 0.0000000), wk = 0.0028736 k( 226) = ( -0.2953897 0.7046103 0.0000000), wk = 0.0028736 k( 227) = ( -0.2883341 0.7116659 0.0000000), wk = 0.0028736 k( 228) = ( -0.2812786 0.7187214 0.0000000), wk = 0.0028736 k( 229) = ( -0.2812786 0.7187214 0.0000000), wk = 0.0028736 k( 230) = ( -0.2812786 0.7187214 0.0166667), wk = 0.0028736 k( 231) = ( -0.2812786 0.7187214 0.0333333), wk = 0.0028736 k( 232) = ( -0.2812786 0.7187214 0.0500000), wk = 0.0028736 k( 233) = ( -0.2812786 0.7187214 0.0666667), wk = 0.0028736 k( 234) = ( -0.2812786 0.7187214 0.0833333), wk = 0.0028736 k( 235) = ( -0.2812786 0.7187214 0.1000000), wk = 0.0028736 k( 236) = ( -0.2812786 0.7187214 0.1166667), wk = 0.0028736 k( 237) = ( -0.2812786 0.7187214 0.1333333), wk = 0.0028736 k( 238) = ( -0.2812786 0.7187214 0.1500000), wk = 0.0028736 k( 239) = ( -0.2812786 0.7187214 0.1666667), wk = 0.0028736 k( 240) = ( -0.2812786 0.7187214 0.1833333), wk = 0.0028736 k( 241) = ( -0.2812786 0.7187214 0.2000000), wk = 0.0028736 k( 242) = ( -0.2812786 0.7187214 0.2166667), wk = 0.0028736 k( 243) = ( -0.2812786 0.7187214 0.2333333), wk = 0.0028736 k( 244) = ( -0.2812786 0.7187214 0.2500000), wk = 0.0028736 k( 245) = ( -0.2812786 0.7187214 0.2666667), wk = 0.0028736 k( 246) = ( -0.2812786 0.7187214 0.2833333), wk = 0.0028736 k( 247) = ( -0.2812786 0.7187214 0.3000000), wk = 0.0028736 k( 248) = ( -0.2812786 0.7187214 0.3166667), wk = 0.0028736 k( 249) = ( -0.2812786 0.7187214 0.3333333), wk = 0.0028736 k( 250) = ( -0.2812786 0.7187214 0.3500000), wk = 0.0028736 k( 251) = ( -0.2812786 0.7187214 0.3666667), wk = 0.0028736 k( 252) = ( -0.2812786 0.7187214 0.3833333), wk = 0.0028736 k( 253) = ( -0.2812786 0.7187214 0.4000000), wk = 0.0028736 k( 254) = ( -0.2812786 0.7187214 0.4166667), wk = 0.0028736 k( 255) = ( -0.2812786 0.7187214 0.4333333), wk = 0.0028736 k( 256) = ( -0.2812786 0.7187214 0.4500000), wk = 0.0028736 k( 257) = ( -0.2812786 0.7187214 0.4666667), wk = 0.0028736 k( 258) = ( -0.2812786 0.7187214 0.4833333), wk = 0.0028736 k( 259) = ( -0.2812786 0.7187214 0.5000000), wk = 0.0028736 k( 260) = ( -0.2812786 0.7187214 0.5000000), wk = 0.0028736 k( 261) = ( -0.2883341 0.7116659 0.5000000), wk = 0.0028736 k( 262) = ( -0.2953897 0.7046103 0.5000000), wk = 0.0028736 k( 263) = ( -0.3024452 0.6975548 0.5000000), wk = 0.0028736 k( 264) = ( -0.3095007 0.6904993 0.5000000), wk = 0.0028736 k( 265) = ( -0.3165562 0.6834438 0.5000000), wk = 0.0028736 k( 266) = ( -0.3236118 0.6763882 0.5000000), wk = 0.0028736 k( 267) = ( -0.3306673 0.6693327 0.5000000), wk = 0.0028736 k( 268) = ( -0.3377228 0.6622772 0.5000000), wk = 0.0028736 k( 269) = ( -0.3447784 0.6552216 0.5000000), wk = 0.0028736 k( 270) = ( -0.3518339 0.6481661 0.5000000), wk = 0.0028736 k( 271) = ( -0.3588894 0.6411106 0.5000000), wk = 0.0028736 k( 272) = ( -0.3659449 0.6340550 0.5000000), wk = 0.0028736 k( 273) = ( -0.3730005 0.6269995 0.5000000), wk = 0.0028736 k( 274) = ( -0.3800560 0.6199440 0.5000000), wk = 0.0028736 k( 275) = ( -0.3871115 0.6128885 0.5000000), wk = 0.0028736 k( 276) = ( -0.3941671 0.6058329 0.5000000), wk = 0.0028736 k( 277) = ( -0.4012226 0.5987774 0.5000000), wk = 0.0028736 k( 278) = ( -0.4082781 0.5917219 0.5000000), wk = 0.0028736 k( 279) = ( -0.4153336 0.5846664 0.5000000), wk = 0.0028736 k( 280) = ( -0.4223892 0.5776108 0.5000000), wk = 0.0028736 k( 281) = ( -0.4294447 0.5705553 0.5000000), wk = 0.0028736 k( 282) = ( -0.4365002 0.5634998 0.5000000), wk = 0.0028736 k( 283) = ( -0.4435558 0.5564442 0.5000000), wk = 0.0028736 k( 284) = ( -0.4506113 0.5493887 0.5000000), wk = 0.0028736 k( 285) = ( -0.4576668 0.5423332 0.5000000), wk = 0.0028736 k( 286) = ( -0.4647224 0.5352776 0.5000000), wk = 0.0028736 k( 287) = ( -0.4717779 0.5282221 0.5000000), wk = 0.0028736 k( 288) = ( -0.4788334 0.5211666 0.5000000), wk = 0.0028736 k( 289) = ( -0.4858889 0.5141111 0.5000000), wk = 0.0028736 k( 290) = ( -0.4929445 0.5070555 0.5000000), wk = 0.0028736 k( 291) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 292) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 293) = ( -0.5000000 0.5000000 0.4833333), wk = 0.0028736 k( 294) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0028736 k( 295) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0028736 k( 296) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0028736 k( 297) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0028736 k( 298) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0028736 k( 299) = ( -0.5000000 0.5000000 0.3833333), wk = 0.0028736 k( 300) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0028736 k( 301) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0028736 k( 302) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 303) = ( -0.5000000 0.5000000 0.3166667), wk = 0.0028736 k( 304) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0028736 k( 305) = ( -0.5000000 0.5000000 0.2833333), wk = 0.0028736 k( 306) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0028736 k( 307) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028736 k( 308) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0028736 k( 309) = ( -0.5000000 0.5000000 0.2166667), wk = 0.0028736 k( 310) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0028736 k( 311) = ( -0.5000000 0.5000000 0.1833333), wk = 0.0028736 k( 312) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 313) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0028736 k( 314) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0028736 k( 315) = ( -0.5000000 0.5000000 0.1166667), wk = 0.0028736 k( 316) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0028736 k( 317) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0028736 k( 318) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0028736 k( 319) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0028736 k( 320) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0028736 k( 321) = ( -0.5000000 0.5000000 0.0166667), wk = 0.0028736 k( 322) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 324) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0028736 k( 325) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0028736 k( 326) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0028736 k( 327) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0028736 k( 328) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0028736 k( 329) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0028736 k( 330) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0028736 k( 331) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0028736 k( 332) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0028736 k( 333) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0028736 k( 334) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0028736 k( 335) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0028736 k( 336) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0028736 k( 337) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0028736 k( 338) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0028736 k( 339) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0028736 k( 340) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0028736 k( 341) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0028736 k( 342) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0028736 k( 343) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0028736 k( 344) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0028736 k( 345) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0028736 k( 346) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0028736 k( 347) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0028736 k( 348) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 53971 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 42549 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 234, 48) NL pseudopotentials 0.24 Mb ( 117, 136) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1125) G-vector shells 0.00 Mb ( 581) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 234, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./TlI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 46.0 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.6 secs Computing kpt #: 5 total cpu time spent up to now is 51.5 secs Computing kpt #: 6 total cpu time spent up to now is 53.3 secs Computing kpt #: 7 total cpu time spent up to now is 55.2 secs Computing kpt #: 8 total cpu time spent up to now is 57.1 secs Computing kpt #: 9 total cpu time spent up to now is 58.8 secs Computing kpt #: 10 total cpu time spent up to now is 60.4 secs Computing kpt #: 11 total cpu time spent up to now is 61.9 secs Computing kpt #: 12 total cpu time spent up to now is 63.4 secs Computing kpt #: 13 total cpu time spent up to now is 65.3 secs Computing kpt #: 14 total cpu time spent up to now is 67.1 secs Computing kpt #: 15 total cpu time spent up to now is 68.6 secs Computing kpt #: 16 total cpu time spent up to now is 70.1 secs Computing kpt #: 17 total cpu time spent up to now is 71.8 secs Computing kpt #: 18 total cpu time spent up to now is 73.5 secs Computing kpt #: 19 total cpu time spent up to now is 75.0 secs Computing kpt #: 20 total cpu time spent up to now is 76.4 secs Computing kpt #: 21 total cpu time spent up to now is 77.9 secs Computing kpt #: 22 total cpu time spent up to now is 80.4 secs Computing kpt #: 23 total cpu time spent up to now is 83.2 secs Computing kpt #: 24 total cpu time spent up to now is 85.4 secs Computing kpt #: 25 total cpu time spent up to now is 87.6 secs Computing kpt #: 26 total cpu time spent up to now is 89.3 secs Computing kpt #: 27 total cpu time spent up to now is 91.1 secs Computing kpt #: 28 total cpu time spent up to now is 92.7 secs Computing kpt #: 29 total cpu time spent up to now is 94.1 secs Computing kpt #: 30 total cpu time spent up to now is 95.5 secs Computing kpt #: 31 total cpu time spent up to now is 97.1 secs Computing kpt #: 32 total cpu time spent up to now is 98.6 secs Computing kpt #: 33 total cpu time spent up to now is 100.0 secs Computing kpt #: 34 total cpu time spent up to now is 101.3 secs Computing kpt #: 35 total cpu time spent up to now is 102.5 secs Computing kpt #: 36 total cpu time spent up to now is 103.8 secs Computing kpt #: 37 total cpu time spent up to now is 105.1 secs Computing kpt #: 38 total cpu time spent up to now is 106.5 secs Computing kpt #: 39 total cpu time spent up to now is 108.0 secs Computing kpt #: 40 total cpu time spent up to now is 109.3 secs Computing kpt #: 41 total cpu time spent up to now is 110.6 secs Computing kpt #: 42 total cpu time spent up to now is 112.0 secs Computing kpt #: 43 total cpu time spent up to now is 113.4 secs Computing kpt #: 44 total cpu time spent up to now is 114.7 secs Computing kpt #: 45 total cpu time spent up to now is 116.1 secs Computing kpt #: 46 total cpu time spent up to now is 117.9 secs Computing kpt #: 47 total cpu time spent up to now is 119.3 secs Computing kpt #: 48 total cpu time spent up to now is 121.2 secs Computing kpt #: 49 total cpu time spent up to now is 122.5 secs Computing kpt #: 50 total cpu time spent up to now is 123.8 secs Computing kpt #: 51 total cpu time spent up to now is 125.2 secs Computing kpt #: 52 total cpu time spent up to now is 126.5 secs Computing kpt #: 53 total cpu time spent up to now is 127.8 secs Computing kpt #: 54 total cpu time spent up to now is 129.1 secs Computing kpt #: 55 total cpu time spent up to now is 130.8 secs Computing kpt #: 56 total cpu time spent up to now is 132.1 secs Computing kpt #: 57 total cpu time spent up to now is 133.4 secs Computing kpt #: 58 total cpu time spent up to now is 134.8 secs Computing kpt #: 59 total cpu time spent up to now is 136.1 secs Computing kpt #: 60 total cpu time spent up to now is 137.6 secs Computing kpt #: 61 total cpu time spent up to now is 138.9 secs Computing kpt #: 62 total cpu time spent up to now is 140.1 secs Computing kpt #: 63 total cpu time spent up to now is 141.4 secs Computing kpt #: 64 total cpu time spent up to now is 142.7 secs Computing kpt #: 65 total cpu time spent up to now is 144.0 secs Computing kpt #: 66 total cpu time spent up to now is 145.3 secs Computing kpt #: 67 total cpu time spent up to now is 146.6 secs Computing kpt #: 68 total cpu time spent up to now is 147.9 secs Computing kpt #: 69 total cpu time spent up to now is 149.4 secs Computing kpt #: 70 total cpu time spent up to now is 150.8 secs Computing kpt #: 71 total cpu time spent up to now is 152.2 secs Computing kpt #: 72 total cpu time spent up to now is 153.7 secs Computing kpt #: 73 total cpu time spent up to now is 155.3 secs Computing kpt #: 74 total cpu time spent up to now is 156.8 secs Computing kpt #: 75 total cpu time spent up to now is 158.3 secs Computing kpt #: 76 total cpu time spent up to now is 160.3 secs Computing kpt #: 77 total cpu time spent up to now is 161.8 secs Computing kpt #: 78 total cpu time spent up to now is 163.3 secs Computing kpt #: 79 total cpu time spent up to now is 164.7 secs Computing kpt #: 80 total cpu time spent up to now is 166.3 secs Computing kpt #: 81 total cpu time spent up to now is 167.8 secs Computing kpt #: 82 total cpu time spent up to now is 169.3 secs Computing kpt #: 83 total cpu time spent up to now is 170.7 secs Computing kpt #: 84 total cpu time spent up to now is 172.2 secs Computing kpt #: 85 total cpu time spent up to now is 173.7 secs Computing kpt #: 86 total cpu time spent up to now is 175.4 secs Computing kpt #: 87 total cpu time spent up to now is 176.9 secs Computing kpt #: 88 total cpu time spent up to now is 178.3 secs Computing kpt #: 89 total cpu time spent up to now is 179.8 secs Computing kpt #: 90 total cpu time spent up to now is 181.3 secs Computing kpt #: 91 total cpu time spent up to now is 182.8 secs Computing kpt #: 92 total cpu time spent up to now is 184.3 secs Computing kpt #: 93 total cpu time spent up to now is 185.8 secs Computing kpt #: 94 total cpu time spent up to now is 188.1 secs Computing kpt #: 95 total cpu time spent up to now is 189.8 secs Computing kpt #: 96 total cpu time spent up to now is 191.3 secs Computing kpt #: 97 total cpu time spent up to now is 192.9 secs Computing kpt #: 98 total cpu time spent up to now is 194.6 secs Computing kpt #: 99 total cpu time spent up to now is 196.1 secs Computing kpt #: 100 total cpu time spent up to now is 197.6 secs Computing kpt #: 101 total cpu time spent up to now is 199.1 secs Computing kpt #: 102 total cpu time spent up to now is 201.2 secs Computing kpt #: 103 total cpu time spent up to now is 202.8 secs Computing kpt #: 104 total cpu time spent up to now is 204.3 secs Computing kpt #: 105 total cpu time spent up to now is 205.8 secs Computing kpt #: 106 total cpu time spent up to now is 207.4 secs Computing kpt #: 107 total cpu time spent up to now is 209.0 secs Computing kpt #: 108 total cpu time spent up to now is 210.6 secs Computing kpt #: 109 total cpu time spent up to now is 212.0 secs Computing kpt #: 110 total cpu time spent up to now is 213.7 secs Computing kpt #: 111 total cpu time spent up to now is 215.2 secs Computing kpt #: 112 total cpu time spent up to now is 216.6 secs Computing kpt #: 113 total cpu time spent up to now is 218.4 secs Computing kpt #: 114 total cpu time spent up to now is 220.1 secs Computing kpt #: 115 total cpu time spent up to now is 221.8 secs Computing kpt #: 116 total cpu time spent up to now is 223.3 secs Computing kpt #: 117 total cpu time spent up to now is 224.7 secs Computing kpt #: 118 total cpu time spent up to now is 226.5 secs Computing kpt #: 119 total cpu time spent up to now is 228.0 secs Computing kpt #: 120 total cpu time spent up to now is 229.7 secs Computing kpt #: 121 total cpu time spent up to now is 231.2 secs Computing kpt #: 122 total cpu time spent up to now is 232.7 secs Computing kpt #: 123 total cpu time spent up to now is 234.2 secs Computing kpt #: 124 total cpu time spent up to now is 235.7 secs Computing kpt #: 125 total cpu time spent up to now is 237.3 secs Computing kpt #: 126 total cpu time spent up to now is 239.0 secs Computing kpt #: 127 total cpu time spent up to now is 240.5 secs Computing kpt #: 128 total cpu time spent up to now is 242.0 secs Computing kpt #: 129 total cpu time spent up to now is 243.4 secs Computing kpt #: 130 total cpu time spent up to now is 244.9 secs Computing kpt #: 131 total cpu time spent up to now is 246.4 secs Computing kpt #: 132 total cpu time spent up to now is 247.8 secs Computing kpt #: 133 total cpu time spent up to now is 249.3 secs Computing kpt #: 134 total cpu time spent up to now is 250.7 secs Computing kpt #: 135 total cpu time spent up to now is 252.3 secs Computing kpt #: 136 total cpu time spent up to now is 253.9 secs Computing kpt #: 137 total cpu time spent up to now is 255.4 secs Computing kpt #: 138 total cpu time spent up to now is 256.8 secs Computing kpt #: 139 total cpu time spent up to now is 258.2 secs Computing kpt #: 140 total cpu time spent up to now is 259.7 secs Computing kpt #: 141 total cpu time spent up to now is 261.4 secs Computing kpt #: 142 total cpu time spent up to now is 262.9 secs Computing kpt #: 143 total cpu time spent up to now is 264.3 secs Computing kpt #: 144 total cpu time spent up to now is 265.8 secs Computing kpt #: 145 total cpu time spent up to now is 267.3 secs Computing kpt #: 146 total cpu time spent up to now is 268.8 secs Computing kpt #: 147 total cpu time spent up to now is 270.2 secs Computing kpt #: 148 total cpu time spent up to now is 271.8 secs Computing kpt #: 149 total cpu time spent up to now is 273.2 secs Computing kpt #: 150 total cpu time spent up to now is 274.7 secs Computing kpt #: 151 total cpu time spent up to now is 276.1 secs Computing kpt #: 152 total cpu time spent up to now is 277.8 secs Computing kpt #: 153 total cpu time spent up to now is 279.5 secs Computing kpt #: 154 total cpu time spent up to now is 281.0 secs Computing kpt #: 155 total cpu time spent up to now is 282.5 secs Computing kpt #: 156 total cpu time spent up to now is 284.1 secs Computing kpt #: 157 total cpu time spent up to now is 285.6 secs Computing kpt #: 158 total cpu time spent up to now is 287.4 secs Computing kpt #: 159 total cpu time spent up to now is 289.2 secs Computing kpt #: 160 total cpu time spent up to now is 291.2 secs Computing kpt #: 161 total cpu time spent up to now is 292.9 secs Computing kpt #: 162 total cpu time spent up to now is 294.5 secs Computing kpt #: 163 total cpu time spent up to now is 296.1 secs Computing kpt #: 164 total cpu time spent up to now is 298.0 secs Computing kpt #: 165 total cpu time spent up to now is 299.7 secs Computing kpt #: 166 total cpu time spent up to now is 301.5 secs Computing kpt #: 167 total cpu time spent up to now is 303.2 secs Computing kpt #: 168 total cpu time spent up to now is 305.1 secs Computing kpt #: 169 total cpu time spent up to now is 306.9 secs Computing kpt #: 170 total cpu time spent up to now is 308.6 secs Computing kpt #: 171 total cpu time spent up to now is 310.8 secs Computing kpt #: 172 total cpu time spent up to now is 313.0 secs Computing kpt #: 173 total cpu time spent up to now is 314.7 secs Computing kpt #: 174 total cpu time spent up to now is 316.5 secs Computing kpt #: 175 total cpu time spent up to now is 318.3 secs Computing kpt #: 176 total cpu time spent up to now is 320.0 secs Computing kpt #: 177 total cpu time spent up to now is 322.0 secs Computing kpt #: 178 total cpu time spent up to now is 323.6 secs Computing kpt #: 179 total cpu time spent up to now is 325.3 secs Computing kpt #: 180 total cpu time spent up to now is 326.8 secs Computing kpt #: 181 total cpu time spent up to now is 328.9 secs Computing kpt #: 182 total cpu time spent up to now is 330.6 secs Computing kpt #: 183 total cpu time spent up to now is 332.2 secs Computing kpt #: 184 total cpu time spent up to now is 333.8 secs Computing kpt #: 185 total cpu time spent up to now is 335.4 secs Computing kpt #: 186 total cpu time spent up to now is 337.3 secs Computing kpt #: 187 total cpu time spent up to now is 338.9 secs Computing kpt #: 188 total cpu time spent up to now is 340.8 secs Computing kpt #: 189 total cpu time spent up to now is 342.6 secs Computing kpt #: 190 total cpu time spent up to now is 344.4 secs Computing kpt #: 191 total cpu time spent up to now is 346.4 secs Computing kpt #: 192 total cpu time spent up to now is 348.5 secs Computing kpt #: 193 total cpu time spent up to now is 350.6 secs Computing kpt #: 194 total cpu time spent up to now is 353.1 secs Computing kpt #: 195 total cpu time spent up to now is 355.9 secs Computing kpt #: 196 total cpu time spent up to now is 357.9 secs Computing kpt #: 197 total cpu time spent up to now is 360.0 secs Computing kpt #: 198 total cpu time spent up to now is 362.4 secs Computing kpt #: 199 total cpu time spent up to now is 364.8 secs Computing kpt #: 200 total cpu time spent up to now is 366.7 secs Computing kpt #: 201 total cpu time spent up to now is 368.4 secs Computing kpt #: 202 total cpu time spent up to now is 370.1 secs Computing kpt #: 203 total cpu time spent up to now is 371.7 secs Computing kpt #: 204 total cpu time spent up to now is 373.4 secs Computing kpt #: 205 total cpu time spent up to now is 375.0 secs Computing kpt #: 206 total cpu time spent up to now is 376.9 secs Computing kpt #: 207 total cpu time spent up to now is 378.9 secs Computing kpt #: 208 total cpu time spent up to now is 380.8 secs Computing kpt #: 209 total cpu time spent up to now is 382.4 secs Computing kpt #: 210 total cpu time spent up to now is 383.9 secs Computing kpt #: 211 total cpu time spent up to now is 385.5 secs Computing kpt #: 212 total cpu time spent up to now is 387.1 secs Computing kpt #: 213 total cpu time spent up to now is 388.6 secs Computing kpt #: 214 total cpu time spent up to now is 390.3 secs Computing kpt #: 215 total cpu time spent up to now is 391.9 secs Computing kpt #: 216 total cpu time spent up to now is 393.5 secs Computing kpt #: 217 total cpu time spent up to now is 394.8 secs Computing kpt #: 218 total cpu time spent up to now is 396.1 secs Computing kpt #: 219 total cpu time spent up to now is 397.4 secs Computing kpt #: 220 total cpu time spent up to now is 398.7 secs Computing kpt #: 221 total cpu time spent up to now is 400.0 secs Computing kpt #: 222 total cpu time spent up to now is 401.2 secs Computing kpt #: 223 total cpu time spent up to now is 402.5 secs Computing kpt #: 224 total cpu time spent up to now is 403.8 secs Computing kpt #: 225 total cpu time spent up to now is 405.1 secs Computing kpt #: 226 total cpu time spent up to now is 406.3 secs Computing kpt #: 227 total cpu time spent up to now is 407.6 secs Computing kpt #: 228 total cpu time spent up to now is 408.9 secs Computing kpt #: 229 total cpu time spent up to now is 410.2 secs Computing kpt #: 230 total cpu time spent up to now is 411.4 secs Computing kpt #: 231 total cpu time spent up to now is 412.7 secs Computing kpt #: 232 total cpu time spent up to now is 413.9 secs Computing kpt #: 233 total cpu time spent up to now is 415.2 secs Computing kpt #: 234 total cpu time spent up to now is 416.5 secs Computing kpt #: 235 total cpu time spent up to now is 417.8 secs Computing kpt #: 236 total cpu time spent up to now is 419.1 secs Computing kpt #: 237 total cpu time spent up to now is 420.3 secs Computing kpt #: 238 total cpu time spent up to now is 421.8 secs Computing kpt #: 239 total cpu time spent up to now is 423.4 secs Computing kpt #: 240 total cpu time spent up to now is 424.8 secs Computing kpt #: 241 total cpu time spent up to now is 426.3 secs Computing kpt #: 242 total cpu time spent up to now is 427.9 secs Computing kpt #: 243 total cpu time spent up to now is 429.3 secs Computing kpt #: 244 total cpu time spent up to now is 430.8 secs Computing kpt #: 245 total cpu time spent up to now is 432.3 secs Computing kpt #: 246 total cpu time spent up to now is 433.9 secs Computing kpt #: 247 total cpu time spent up to now is 435.5 secs Computing kpt #: 248 total cpu time spent up to now is 437.0 secs Computing kpt #: 249 total cpu time spent up to now is 438.6 secs Computing kpt #: 250 total cpu time spent up to now is 440.1 secs Computing kpt #: 251 total cpu time spent up to now is 441.6 secs Computing kpt #: 252 total cpu time spent up to now is 443.0 secs Computing kpt #: 253 total cpu time spent up to now is 444.8 secs Computing kpt #: 254 total cpu time spent up to now is 446.6 secs Computing kpt #: 255 total cpu time spent up to now is 448.0 secs Computing kpt #: 256 total cpu time spent up to now is 449.5 secs Computing kpt #: 257 total cpu time spent up to now is 451.1 secs Computing kpt #: 258 total cpu time spent up to now is 452.8 secs Computing kpt #: 259 total cpu time spent up to now is 454.3 secs Computing kpt #: 260 total cpu time spent up to now is 455.8 secs Computing kpt #: 261 total cpu time spent up to now is 457.4 secs Computing kpt #: 262 total cpu time spent up to now is 459.0 secs Computing kpt #: 263 total cpu time spent up to now is 460.6 secs Computing kpt #: 264 total cpu time spent up to now is 462.1 secs Computing kpt #: 265 total cpu time spent up to now is 463.6 secs Computing kpt #: 266 total cpu time spent up to now is 465.4 secs Computing kpt #: 267 total cpu time spent up to now is 466.9 secs Computing kpt #: 268 total cpu time spent up to now is 468.4 secs Computing kpt #: 269 total cpu time spent up to now is 469.9 secs Computing kpt #: 270 total cpu time spent up to now is 471.3 secs Computing kpt #: 271 total cpu time spent up to now is 472.8 secs Computing kpt #: 272 total cpu time spent up to now is 474.3 secs Computing kpt #: 273 total cpu time spent up to now is 475.8 secs Computing kpt #: 274 total cpu time spent up to now is 477.5 secs Computing kpt #: 275 total cpu time spent up to now is 479.0 secs Computing kpt #: 276 total cpu time spent up to now is 480.4 secs Computing kpt #: 277 total cpu time spent up to now is 481.9 secs Computing kpt #: 278 total cpu time spent up to now is 483.4 secs Computing kpt #: 279 total cpu time spent up to now is 484.8 secs Computing kpt #: 280 total cpu time spent up to now is 486.2 secs Computing kpt #: 281 total cpu time spent up to now is 488.1 secs Computing kpt #: 282 total cpu time spent up to now is 489.5 secs Computing kpt #: 283 total cpu time spent up to now is 491.0 secs Computing kpt #: 284 total cpu time spent up to now is 492.5 secs Computing kpt #: 285 total cpu time spent up to now is 493.9 secs Computing kpt #: 286 total cpu time spent up to now is 495.4 secs Computing kpt #: 287 total cpu time spent up to now is 496.8 secs Computing kpt #: 288 total cpu time spent up to now is 498.3 secs Computing kpt #: 289 total cpu time spent up to now is 499.8 secs Computing kpt #: 290 total cpu time spent up to now is 501.2 secs Computing kpt #: 291 total cpu time spent up to now is 502.7 secs Computing kpt #: 292 total cpu time spent up to now is 504.1 secs Computing kpt #: 293 total cpu time spent up to now is 505.6 secs Computing kpt #: 294 total cpu time spent up to now is 507.0 secs Computing kpt #: 295 total cpu time spent up to now is 508.4 secs Computing kpt #: 296 total cpu time spent up to now is 509.9 secs Computing kpt #: 297 total cpu time spent up to now is 511.4 secs Computing kpt #: 298 total cpu time spent up to now is 512.9 secs Computing kpt #: 299 total cpu time spent up to now is 514.3 secs Computing kpt #: 300 total cpu time spent up to now is 515.8 secs Computing kpt #: 301 total cpu time spent up to now is 517.3 secs Computing kpt #: 302 total cpu time spent up to now is 518.8 secs Computing kpt #: 303 total cpu time spent up to now is 520.3 secs Computing kpt #: 304 total cpu time spent up to now is 521.7 secs Computing kpt #: 305 total cpu time spent up to now is 523.1 secs Computing kpt #: 306 total cpu time spent up to now is 524.7 secs Computing kpt #: 307 total cpu time spent up to now is 526.2 secs Computing kpt #: 308 total cpu time spent up to now is 527.7 secs Computing kpt #: 309 total cpu time spent up to now is 529.2 secs Computing kpt #: 310 total cpu time spent up to now is 530.7 secs Computing kpt #: 311 total cpu time spent up to now is 532.3 secs Computing kpt #: 312 total cpu time spent up to now is 533.8 secs Computing kpt #: 313 total cpu time spent up to now is 535.4 secs Computing kpt #: 314 total cpu time spent up to now is 537.0 secs Computing kpt #: 315 total cpu time spent up to now is 538.6 secs Computing kpt #: 316 total cpu time spent up to now is 540.3 secs Computing kpt #: 317 total cpu time spent up to now is 542.1 secs Computing kpt #: 318 total cpu time spent up to now is 544.0 secs Computing kpt #: 319 total cpu time spent up to now is 545.9 secs Computing kpt #: 320 total cpu time spent up to now is 548.1 secs Computing kpt #: 321 total cpu time spent up to now is 550.7 secs Computing kpt #: 322 total cpu time spent up to now is 552.7 secs Computing kpt #: 323 total cpu time spent up to now is 554.1 secs Computing kpt #: 324 total cpu time spent up to now is 555.6 secs Computing kpt #: 325 total cpu time spent up to now is 557.0 secs Computing kpt #: 326 total cpu time spent up to now is 558.5 secs Computing kpt #: 327 total cpu time spent up to now is 560.7 secs Computing kpt #: 328 total cpu time spent up to now is 562.2 secs Computing kpt #: 329 total cpu time spent up to now is 563.6 secs Computing kpt #: 330 total cpu time spent up to now is 565.4 secs Computing kpt #: 331 total cpu time spent up to now is 566.8 secs Computing kpt #: 332 total cpu time spent up to now is 568.3 secs Computing kpt #: 333 total cpu time spent up to now is 569.7 secs Computing kpt #: 334 total cpu time spent up to now is 571.3 secs Computing kpt #: 335 total cpu time spent up to now is 572.8 secs Computing kpt #: 336 total cpu time spent up to now is 574.2 secs Computing kpt #: 337 total cpu time spent up to now is 575.6 secs Computing kpt #: 338 total cpu time spent up to now is 577.2 secs Computing kpt #: 339 total cpu time spent up to now is 578.7 secs Computing kpt #: 340 total cpu time spent up to now is 580.2 secs Computing kpt #: 341 total cpu time spent up to now is 581.6 secs Computing kpt #: 342 total cpu time spent up to now is 583.2 secs Computing kpt #: 343 total cpu time spent up to now is 585.0 secs Computing kpt #: 344 total cpu time spent up to now is 586.5 secs Computing kpt #: 345 total cpu time spent up to now is 587.9 secs Computing kpt #: 346 total cpu time spent up to now is 589.5 secs Computing kpt #: 347 total cpu time spent up to now is 590.9 secs Computing kpt #: 348 total cpu time spent up to now is 592.4 secs ethr = 2.50E-11, avg # of iterations = 25.3 total cpu time spent up to now is 592.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5307 PWs) bands (ev): -7.0806 -7.0806 -6.9478 -6.9478 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3394 -6.3394 -4.5336 -4.5336 -4.5111 -4.5111 -4.4932 -4.4932 -4.4588 -4.4588 -4.4586 -4.4586 -4.3734 -4.3734 0.3616 0.3616 0.7895 0.7895 1.7558 1.7558 2.3179 2.3179 2.9137 2.9137 3.5952 3.5952 3.8533 3.8533 4.1504 4.1504 8.8442 8.8442 8.9949 8.9949 9.6052 9.6052 10.0805 10.0805 k = 0.0072 0.0204-0.0000 ( 5325 PWs) bands (ev): -7.0802 -7.0802 -6.9476 -6.9476 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3395 -6.3395 -4.5336 -4.5336 -4.5111 -4.5111 -4.4933 -4.4933 -4.4592 -4.4592 -4.4583 -4.4583 -4.3735 -4.3735 0.3593 0.3593 0.7888 0.7888 1.7562 1.7562 2.3191 2.3191 2.9154 2.9154 3.5946 3.5946 3.8549 3.8549 4.1511 4.1511 8.8245 8.8245 9.0033 9.0033 9.6036 9.6036 10.0837 10.0837 k = 0.0144 0.0408-0.0000 ( 5323 PWs) bands (ev): -7.0787 -7.0787 -6.9468 -6.9468 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3397 -6.3397 -4.5337 -4.5337 -4.5110 -4.5110 -4.4933 -4.4933 -4.4597 -4.4597 -4.4580 -4.4580 -4.3739 -4.3739 0.3524 0.3524 0.7867 0.7867 1.7575 1.7575 2.3227 2.3227 2.9203 2.9203 3.5928 3.5928 3.8596 3.8596 4.1530 4.1530 8.7758 8.7758 9.0179 9.0179 9.5990 9.5990 10.0930 10.0930 k = 0.0216 0.0612-0.0000 ( 5331 PWs) bands (ev): -7.0764 -7.0764 -6.9456 -6.9456 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3401 -6.3401 -4.5337 -4.5337 -4.5109 -4.5109 -4.4934 -4.4934 -4.4603 -4.4603 -4.4578 -4.4578 -4.3745 -4.3745 0.3409 0.3409 0.7832 0.7832 1.7597 1.7597 2.3286 2.3286 2.9284 2.9284 3.5899 3.5899 3.8674 3.8674 4.1561 4.1561 8.7105 8.7105 9.0261 9.0261 9.5924 9.5924 10.1066 10.1066 k = 0.0288 0.0816-0.0000 ( 5321 PWs) bands (ev): -7.0731 -7.0731 -6.9439 -6.9439 -6.6847 -6.6847 -6.6728 -6.6728 -6.6670 -6.6670 -6.3407 -6.3407 -4.5337 -4.5337 -4.5107 -4.5107 -4.4936 -4.4936 -4.4609 -4.4609 -4.4577 -4.4577 -4.3752 -4.3752 0.3250 0.3250 0.7784 0.7784 1.7630 1.7630 2.3370 2.3370 2.9393 2.9393 3.5862 3.5862 3.8782 3.8782 4.1605 4.1605 8.6341 8.6341 9.0220 9.0220 9.5846 9.5846 10.1198 10.1198 k = 0.0361 0.1020-0.0000 ( 5329 PWs) bands (ev): -7.0689 -7.0689 -6.9417 -6.9417 -6.6847 -6.6847 -6.6727 -6.6727 -6.6670 -6.6670 -6.3414 -6.3414 -4.5337 -4.5337 -4.5105 -4.5105 -4.4938 -4.4938 -4.4617 -4.4617 -4.4576 -4.4576 -4.3763 -4.3763 0.3049 0.3049 0.7721 0.7721 1.7675 1.7675 2.3478 2.3478 2.9529 2.9529 3.5818 3.5818 3.8919 3.8919 4.1659 4.1659 8.5495 8.5495 9.0031 9.0031 9.5765 9.5765 10.1196 10.1196 k = 0.0433 0.1223-0.0000 ( 5325 PWs) bands (ev): -7.0639 -7.0639 -6.9390 -6.9390 -6.6848 -6.6848 -6.6727 -6.6727 -6.6670 -6.6670 -6.3423 -6.3423 -4.5337 -4.5337 -4.5102 -4.5102 -4.4940 -4.4940 -4.4624 -4.4624 -4.4576 -4.4576 -4.3775 -4.3775 0.2806 0.2806 0.7644 0.7644 1.7734 1.7734 2.3611 2.3611 2.9689 2.9689 3.5771 3.5771 3.9083 3.9083 4.1724 4.1724 8.4581 8.4581 8.9689 8.9689 9.5675 9.5675 10.0794 10.0794 k = 0.0505 0.1427-0.0000 ( 5327 PWs) bands (ev): -7.0579 -7.0579 -6.9359 -6.9359 -6.6848 -6.6848 -6.6726 -6.6726 -6.6670 -6.6670 -6.3434 -6.3434 -4.5337 -4.5337 -4.5099 -4.5099 -4.4943 -4.4943 -4.4632 -4.4632 -4.4577 -4.4577 -4.3789 -4.3789 0.2524 0.2524 0.7555 0.7555 1.7809 1.7809 2.3769 2.3769 2.9867 2.9867 3.5724 3.5724 3.9273 3.9273 4.1799 4.1799 8.3615 8.3615 8.9202 8.9202 9.5565 9.5565 9.9980 9.9980 k = 0.0577 0.1631-0.0000 ( 5323 PWs) bands (ev): -7.0512 -7.0512 -6.9323 -6.9323 -6.6848 -6.6848 -6.6724 -6.6724 -6.6670 -6.6670 -6.3447 -6.3447 -4.5337 -4.5337 -4.5097 -4.5097 -4.4947 -4.4947 -4.4640 -4.4640 -4.4577 -4.4577 -4.3805 -4.3805 0.2207 0.2207 0.7451 0.7451 1.7901 1.7901 2.3951 2.3951 3.0062 3.0062 3.5679 3.5679 3.9486 3.9486 4.1884 4.1884 8.2605 8.2605 8.8586 8.8586 9.5414 9.5414 9.8978 9.8978 k = 0.0649 0.1835-0.0000 ( 5323 PWs) bands (ev): -7.0437 -7.0437 -6.9284 -6.9284 -6.6848 -6.6848 -6.6723 -6.6723 -6.6670 -6.6670 -6.3462 -6.3462 -4.5337 -4.5337 -4.5094 -4.5094 -4.4951 -4.4951 -4.4648 -4.4648 -4.4579 -4.4579 -4.3824 -4.3824 0.1856 0.1856 0.7336 0.7336 1.8013 1.8013 2.4157 2.4157 3.0270 3.0270 3.5640 3.5640 3.9719 3.9719 4.1979 4.1979 8.1562 8.1562 8.7862 8.7862 9.5198 9.5198 9.7903 9.7903 k = 0.0721 0.2039-0.0000 ( 5315 PWs) bands (ev): -7.0355 -7.0355 -6.9240 -6.9240 -6.6848 -6.6848 -6.6722 -6.6722 -6.6670 -6.6670 -6.3478 -6.3478 -4.5338 -4.5338 -4.5092 -4.5092 -4.4955 -4.4955 -4.4655 -4.4655 -4.4580 -4.4580 -4.3844 -4.3844 0.1476 0.1476 0.7208 0.7208 1.8144 1.8144 2.4388 2.4388 3.0487 3.0487 3.5610 3.5610 3.9968 3.9968 4.2086 4.2086 8.0495 8.0495 8.7051 8.7051 9.4888 9.4888 9.6811 9.6811 k = 0.0793 0.2243-0.0000 ( 5319 PWs) bands (ev): -7.0266 -7.0266 -6.9192 -6.9192 -6.6848 -6.6848 -6.6720 -6.6720 -6.6670 -6.6670 -6.3497 -6.3497 -4.5338 -4.5338 -4.5091 -4.5091 -4.4960 -4.4960 -4.4663 -4.4663 -4.4581 -4.4581 -4.3865 -4.3865 0.1070 0.1070 0.7069 0.7069 1.8296 1.8296 2.4642 2.4642 3.0711 3.0711 3.5591 3.5591 4.0227 4.0227 4.2205 4.2205 7.9411 7.9411 8.6169 8.6169 9.4429 9.4429 9.5764 9.5764 k = 0.0865 0.2447-0.0000 ( 5329 PWs) bands (ev): -7.0171 -7.0171 -6.9141 -6.9141 -6.6848 -6.6848 -6.6718 -6.6718 -6.6670 -6.6670 -6.3518 -6.3518 -4.5338 -4.5338 -4.5092 -4.5092 -4.4965 -4.4965 -4.4670 -4.4670 -4.4582 -4.4582 -4.3889 -4.3889 0.0641 0.0641 0.6919 0.6919 1.8470 1.8470 2.4919 2.4919 3.0940 3.0940 3.5586 3.5586 4.0491 4.0491 4.2342 4.2342 7.8319 7.8319 8.5236 8.5236 9.3727 9.3727 9.4867 9.4867 k = 0.0938 0.2651-0.0000 ( 5323 PWs) bands (ev): -7.0071 -7.0071 -6.9086 -6.9086 -6.6847 -6.6847 -6.6716 -6.6716 -6.6669 -6.6669 -6.3541 -6.3541 -4.5338 -4.5338 -4.5095 -4.5095 -4.4969 -4.4969 -4.4677 -4.4677 -4.4583 -4.4583 -4.3913 -4.3913 0.0193 0.0193 0.6760 0.6760 1.8664 1.8664 2.5219 2.5219 3.1170 3.1170 3.5597 3.5597 4.0752 4.0752 4.2499 4.2499 7.7224 7.7224 8.4264 8.4264 9.2758 9.2758 9.4154 9.4154 k = 0.1010 0.2855-0.0000 ( 5315 PWs) bands (ev): -6.9966 -6.9966 -6.9028 -6.9028 -6.6846 -6.6846 -6.6714 -6.6714 -6.6668 -6.6668 -6.3566 -6.3566 -4.5338 -4.5338 -4.5101 -4.5101 -4.4972 -4.4972 -4.4683 -4.4683 -4.4584 -4.4584 -4.3939 -4.3939 -0.0269 -0.0269 0.6592 0.6592 1.8878 1.8878 2.5539 2.5539 3.1400 3.1400 3.5625 3.5625 4.1000 4.1000 4.2682 4.2682 7.6135 7.6135 8.3267 8.3267 9.1655 9.1655 9.3509 9.3509 k = 0.1082 0.3059-0.0000 ( 5321 PWs) bands (ev): -6.9858 -6.9858 -6.8966 -6.8966 -6.6846 -6.6846 -6.6712 -6.6712 -6.6668 -6.6668 -6.3595 -6.3595 -4.5338 -4.5338 -4.5110 -4.5110 -4.4973 -4.4973 -4.4688 -4.4688 -4.4584 -4.4584 -4.3966 -4.3966 -0.0743 -0.0743 0.6418 0.6418 1.9113 1.9113 2.5879 2.5879 3.1629 3.1629 3.5672 3.5672 4.1226 4.1226 4.2897 4.2897 7.5056 7.5056 8.2256 8.2256 9.0507 9.0507 9.2859 9.2859 k = 0.1154 0.3262-0.0000 ( 5327 PWs) bands (ev): -6.9747 -6.9747 -6.8902 -6.8902 -6.6844 -6.6844 -6.6709 -6.6709 -6.6666 -6.6666 -6.3625 -6.3625 -4.5338 -4.5338 -4.5121 -4.5121 -4.4973 -4.4973 -4.4693 -4.4693 -4.4583 -4.4583 -4.3994 -4.3994 -0.1224 -0.1224 0.6238 0.6238 1.9367 1.9367 2.6238 2.6238 3.1854 3.1854 3.5737 3.5737 4.1425 4.1425 4.3146 4.3146 7.3995 7.3995 8.1241 8.1241 8.9351 8.9351 9.2188 9.2188 k = 0.1226 0.3466-0.0000 ( 5339 PWs) bands (ev): -6.9635 -6.9635 -6.8835 -6.8835 -6.6843 -6.6843 -6.6707 -6.6707 -6.6665 -6.6665 -6.3659 -6.3659 -4.5337 -4.5337 -4.5136 -4.5136 -4.4971 -4.4971 -4.4698 -4.4698 -4.4582 -4.4582 -4.4023 -4.4023 -0.1709 -0.1709 0.6053 0.6053 1.9640 1.9640 2.6615 2.6615 3.2074 3.2074 3.5823 3.5823 4.1594 4.1594 4.3426 4.3426 7.2957 7.2957 8.0229 8.0229 8.8201 8.8201 9.1498 9.1498 k = 0.1298 0.3670-0.0000 ( 5343 PWs) bands (ev): -6.9522 -6.9522 -6.8765 -6.8765 -6.6840 -6.6840 -6.6705 -6.6705 -6.6662 -6.6662 -6.3695 -6.3695 -4.5337 -4.5337 -4.5153 -4.5153 -4.4968 -4.4968 -4.4702 -4.4702 -4.4580 -4.4580 -4.4053 -4.4053 -0.2195 -0.2195 0.5866 0.5866 1.9929 1.9929 2.7007 2.7007 3.2287 3.2287 3.5927 3.5927 4.1734 4.1734 4.3733 4.3733 7.1948 7.1948 7.9229 7.9229 8.7067 8.7067 9.0798 9.0798 k = 0.1370 0.3874-0.0000 ( 5339 PWs) bands (ev): -6.9411 -6.9411 -6.8691 -6.8691 -6.6837 -6.6837 -6.6702 -6.6702 -6.6659 -6.6659 -6.3735 -6.3735 -4.5337 -4.5337 -4.5171 -4.5171 -4.4965 -4.4965 -4.4706 -4.4706 -4.4578 -4.4578 -4.4083 -4.4083 -0.2678 -0.2678 0.5679 0.5679 2.0235 2.0235 2.7414 2.7414 3.2492 3.2492 3.6051 3.6051 4.1848 4.1848 4.4058 4.4058 7.0973 7.0973 7.8248 7.8248 8.5955 8.5955 9.0097 9.0097 k = 0.1442 0.4078-0.0000 ( 5339 PWs) bands (ev): -6.9301 -6.9301 -6.8615 -6.8615 -6.6833 -6.6833 -6.6700 -6.6700 -6.6654 -6.6654 -6.3777 -6.3777 -4.5337 -4.5337 -4.5191 -4.5191 -4.4961 -4.4961 -4.4709 -4.4709 -4.4575 -4.4575 -4.4113 -4.4113 -0.3155 -0.3155 0.5492 0.5492 2.0554 2.0554 2.7834 2.7834 3.2687 3.2687 3.6194 3.6194 4.1940 4.1940 4.4393 4.4393 7.0040 7.0040 7.7291 7.7291 8.4871 8.4871 8.9405 8.9405 k = 0.1515 0.4282-0.0000 ( 5339 PWs) bands (ev): -6.9196 -6.9196 -6.8536 -6.8536 -6.6829 -6.6829 -6.6699 -6.6699 -6.6648 -6.6648 -6.3823 -6.3823 -4.5337 -4.5337 -4.5211 -4.5211 -4.4957 -4.4957 -4.4711 -4.4711 -4.4571 -4.4571 -4.4144 -4.4144 -0.3623 -0.3623 0.5307 0.5307 2.0887 2.0887 2.8264 2.8264 3.2870 3.2870 3.6355 3.6355 4.2012 4.2012 4.4729 4.4729 6.9153 6.9153 7.6366 7.6366 8.3819 8.3819 8.8728 8.8728 k = 0.1587 0.4486-0.0000 ( 5343 PWs) bands (ev): -6.9096 -6.9096 -6.8453 -6.8453 -6.6823 -6.6823 -6.6697 -6.6697 -6.6640 -6.6640 -6.3872 -6.3872 -4.5337 -4.5337 -4.5231 -4.5231 -4.4954 -4.4954 -4.4712 -4.4712 -4.4567 -4.4567 -4.4174 -4.4174 -0.4079 -0.4079 0.5127 0.5127 2.1230 2.1230 2.8703 2.8703 3.3040 3.3040 3.6533 3.6533 4.2066 4.2066 4.5058 4.5058 6.8318 6.8318 7.5477 7.5477 8.2805 8.2805 8.8073 8.8073 k = 0.1659 0.4690-0.0000 ( 5343 PWs) bands (ev): -6.9003 -6.9003 -6.8368 -6.8368 -6.6817 -6.6817 -6.6696 -6.6696 -6.6631 -6.6631 -6.3925 -6.3925 -4.5338 -4.5338 -4.5250 -4.5250 -4.4950 -4.4950 -4.4713 -4.4713 -4.4562 -4.4562 -4.4205 -4.4205 -0.4522 -0.4522 0.4952 0.4952 2.1582 2.1582 2.9148 2.9148 3.3194 3.3194 3.6727 3.6727 4.2104 4.2104 4.5372 4.5372 6.7541 6.7541 7.4631 7.4631 8.1832 8.1832 8.7446 8.7446 k = 0.1731 0.4894-0.0000 ( 5335 PWs) bands (ev): -6.8917 -6.8917 -6.8281 -6.8281 -6.6810 -6.6810 -6.6696 -6.6696 -6.6619 -6.6619 -6.3980 -6.3980 -4.5342 -4.5342 -4.5267 -4.5267 -4.4947 -4.4947 -4.4713 -4.4713 -4.4557 -4.4557 -4.4234 -4.4234 -0.4947 -0.4947 0.4785 0.4785 2.1942 2.1942 2.9596 2.9596 3.3330 3.3330 3.6936 3.6936 4.2127 4.2127 4.5665 4.5665 6.6829 6.6829 7.3834 7.3834 8.0905 8.0905 8.6851 8.6851 k = 0.1803 0.5098-0.0000 ( 5341 PWs) bands (ev): -6.8839 -6.8839 -6.8192 -6.8192 -6.6802 -6.6802 -6.6695 -6.6695 -6.6605 -6.6605 -6.4040 -6.4040 -4.5349 -4.5349 -4.5279 -4.5279 -4.4945 -4.4945 -4.4713 -4.4713 -4.4552 -4.4552 -4.4264 -4.4264 -0.5354 -0.5354 0.4626 0.4626 2.2307 2.2307 3.0046 3.0046 3.3447 3.3447 3.7158 3.7158 4.2135 4.2135 4.5928 4.5928 6.6185 6.6185 7.3092 7.3092 8.0028 8.0028 8.6288 8.6288 k = 0.1875 0.5301-0.0000 ( 5345 PWs) bands (ev): -6.8769 -6.8769 -6.8103 -6.8103 -6.6794 -6.6794 -6.6695 -6.6695 -6.6588 -6.6588 -6.4102 -6.4102 -4.5361 -4.5361 -4.5287 -4.5287 -4.4943 -4.4943 -4.4711 -4.4711 -4.4546 -4.4546 -4.4293 -4.4293 -0.5741 -0.5741 0.4478 0.4478 2.2675 2.2675 3.0492 3.0492 3.3544 3.3544 3.7391 3.7391 4.2129 4.2129 4.6156 4.6156 6.5614 6.5614 7.2411 7.2411 7.9206 7.9206 8.5760 8.5760 k = 0.1947 0.5505-0.0000 ( 5339 PWs) bands (ev): -6.8708 -6.8708 -6.8014 -6.8014 -6.6785 -6.6785 -6.6695 -6.6695 -6.6568 -6.6568 -6.4168 -6.4168 -4.5375 -4.5375 -4.5290 -4.5290 -4.4942 -4.4942 -4.4709 -4.4709 -4.4540 -4.4540 -4.4321 -4.4321 -0.6104 -0.6104 0.4341 0.4341 2.3044 2.3044 3.0931 3.0931 3.3622 3.3622 3.7632 3.7632 4.2110 4.2110 4.6343 4.6343 6.5120 6.5120 7.1798 7.1798 7.8442 7.8442 8.5264 8.5264 k = 0.2019 0.5709-0.0000 ( 5341 PWs) bands (ev): -6.8656 -6.8656 -6.7928 -6.7928 -6.6776 -6.6776 -6.6695 -6.6695 -6.6544 -6.6544 -6.4237 -6.4237 -4.5392 -4.5392 -4.5289 -4.5289 -4.4941 -4.4941 -4.4707 -4.4707 -4.4534 -4.4534 -4.4348 -4.4348 -0.6444 -0.6444 0.4216 0.4216 2.3410 2.3410 3.1357 3.1357 3.3680 3.3680 3.7876 3.7876 4.2077 4.2077 4.6486 4.6486 6.4702 6.4702 7.1262 7.1262 7.7741 7.7741 8.4797 8.4797 k = 0.2092 0.5913-0.0000 ( 5339 PWs) bands (ev): -6.8611 -6.8611 -6.7844 -6.7844 -6.6767 -6.6767 -6.6695 -6.6695 -6.6518 -6.6518 -6.4309 -6.4309 -4.5409 -4.5409 -4.5287 -4.5287 -4.4941 -4.4941 -4.4704 -4.4704 -4.4528 -4.4528 -4.4374 -4.4374 -0.6758 -0.6758 0.4106 0.4106 2.3773 2.3773 3.1764 3.1764 3.3723 3.3723 3.8121 3.8121 4.2034 4.2034 4.6581 4.6581 6.4361 6.4361 7.0809 7.0809 7.7107 7.7107 8.4353 8.4353 k = 0.2164 0.6117-0.0000 ( 5343 PWs) bands (ev): -6.8575 -6.8575 -6.7765 -6.7765 -6.6758 -6.6758 -6.6695 -6.6695 -6.6490 -6.6490 -6.4383 -6.4383 -4.5425 -4.5425 -4.5283 -4.5283 -4.4941 -4.4941 -4.4701 -4.4701 -4.4521 -4.4521 -4.4398 -4.4398 -0.7045 -0.7045 0.4009 0.4009 2.4128 2.4128 3.2140 3.2140 3.3757 3.3757 3.8361 3.8361 4.1981 4.1981 4.6629 4.6629 6.4091 6.4091 7.0448 7.0448 7.6544 7.6544 8.3926 8.3926 k = 0.2236 0.6321-0.0000 ( 5343 PWs) bands (ev): -6.8547 -6.8547 -6.7690 -6.7690 -6.6750 -6.6750 -6.6695 -6.6695 -6.6459 -6.6459 -6.4459 -6.4459 -4.5441 -4.5441 -4.5279 -4.5279 -4.4941 -4.4941 -4.4699 -4.4699 -4.4515 -4.4515 -4.4422 -4.4422 -0.7304 -0.7304 0.3928 0.3928 2.4473 2.4473 3.2467 3.2467 3.3798 3.3798 3.8590 3.8590 4.1922 4.1922 4.6631 4.6631 6.3889 6.3889 7.0186 7.0186 7.6056 7.6056 8.3509 8.3509 k = 0.2308 0.6525-0.0000 ( 5339 PWs) bands (ev): -6.8526 -6.8526 -6.7621 -6.7621 -6.6741 -6.6741 -6.6695 -6.6695 -6.6428 -6.6428 -6.4536 -6.4536 -4.5455 -4.5455 -4.5273 -4.5273 -4.4941 -4.4941 -4.4696 -4.4696 -4.4508 -4.4508 -4.4444 -4.4444 -0.7534 -0.7534 0.3862 0.3862 2.4807 2.4807 3.2718 3.2718 3.3869 3.3869 3.8802 3.8802 4.1860 4.1860 4.6591 4.6591 6.3747 6.3747 7.0030 7.0030 7.5647 7.5647 8.3094 8.3094 k = 0.2380 0.6729-0.0000 ( 5325 PWs) bands (ev): -6.8512 -6.8512 -6.7557 -6.7557 -6.6733 -6.6733 -6.6695 -6.6695 -6.6397 -6.6397 -6.4614 -6.4614 -4.5467 -4.5467 -4.5267 -4.5267 -4.4942 -4.4942 -4.4693 -4.4693 -4.4502 -4.4502 -4.4464 -4.4464 -0.7734 -0.7734 0.3813 0.3813 2.5125 2.5125 3.2862 3.2862 3.3997 3.3997 3.8989 3.8989 4.1801 4.1801 4.6516 4.6516 6.3657 6.3657 6.9984 6.9984 7.5321 7.5321 8.2679 8.2679 k = 0.2452 0.6933-0.0000 ( 5325 PWs) bands (ev): -6.8505 -6.8505 -6.7498 -6.7498 -6.6726 -6.6726 -6.6695 -6.6695 -6.6368 -6.6368 -6.4692 -6.4692 -4.5478 -4.5478 -4.5260 -4.5260 -4.4943 -4.4943 -4.4691 -4.4691 -4.4499 -4.4499 -4.4479 -4.4479 -0.7905 -0.7905 0.3780 0.3780 2.5425 2.5425 3.2897 3.2897 3.4183 3.4183 3.9144 3.9144 4.1750 4.1750 4.6412 4.6412 6.3613 6.3613 7.0050 7.0050 7.5081 7.5081 8.2263 8.2263 k = 0.2524 0.7137-0.0000 ( 5325 PWs) bands (ev): -6.8506 -6.8506 -6.7446 -6.7446 -6.6718 -6.6718 -6.6695 -6.6695 -6.6343 -6.6343 -6.4768 -6.4768 -4.5487 -4.5487 -4.5253 -4.5253 -4.4943 -4.4943 -4.4690 -4.4690 -4.4509 -4.4509 -4.4479 -4.4479 -0.8045 -0.8045 0.3763 0.3763 2.5705 2.5705 3.2849 3.2849 3.4396 3.4396 3.9259 3.9259 4.1713 4.1713 4.6288 4.6288 6.3612 6.3612 7.0224 7.0224 7.4930 7.4930 8.1852 8.1852 k = 0.2596 0.7340-0.0000 ( 5327 PWs) bands (ev): -6.8512 -6.8512 -6.7399 -6.7399 -6.6711 -6.6711 -6.6695 -6.6695 -6.6323 -6.6323 -6.4841 -6.4841 -4.5495 -4.5495 -4.5245 -4.5245 -4.4944 -4.4944 -4.4689 -4.4689 -4.4524 -4.4524 -4.4473 -4.4473 -0.8155 -0.8155 0.3762 0.3762 2.5962 2.5962 3.2747 3.2747 3.4606 3.4606 3.9329 3.9329 4.1696 4.1696 4.6151 4.6151 6.3650 6.3650 7.0503 7.0503 7.4871 7.4871 8.1451 8.1451 k = 0.2669 0.7544-0.0000 ( 5331 PWs) bands (ev): -6.8525 -6.8525 -6.7358 -6.7358 -6.6704 -6.6704 -6.6694 -6.6694 -6.6310 -6.6310 -6.4910 -6.4910 -4.5500 -4.5500 -4.5237 -4.5237 -4.4945 -4.4945 -4.4689 -4.4689 -4.4538 -4.4538 -4.4465 -4.4465 -0.8234 -0.8234 0.3777 0.3777 2.6195 2.6195 3.2607 3.2607 3.4794 3.4794 3.9352 3.9352 4.1702 4.1702 4.6009 4.6009 6.3729 6.3729 7.0877 7.0877 7.4904 7.4904 8.1070 8.1070 k = 0.2741 0.7748-0.0000 ( 5339 PWs) bands (ev): -6.8543 -6.8543 -6.7323 -6.7323 -6.6700 -6.6700 -6.6691 -6.6691 -6.6305 -6.6305 -6.4972 -6.4972 -4.5503 -4.5503 -4.5229 -4.5229 -4.4946 -4.4946 -4.4690 -4.4690 -4.4551 -4.4551 -4.4457 -4.4457 -0.8284 -0.8284 0.3807 0.3807 2.6401 2.6401 3.2439 3.2439 3.4951 3.4951 3.9329 3.9329 4.1729 4.1729 4.5869 4.5869 6.3847 6.3847 7.1336 7.1336 7.5031 7.5031 8.0719 8.0719 k = 0.2813 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8567 -6.8567 -6.7295 -6.7295 -6.6698 -6.6698 -6.6686 -6.6686 -6.6309 -6.6309 -6.5028 -6.5028 -4.5504 -4.5504 -4.5220 -4.5220 -4.4947 -4.4947 -4.4693 -4.4693 -4.4563 -4.4563 -4.4448 -4.4448 -0.8304 -0.8304 0.3852 0.3852 2.6580 2.6580 3.2250 3.2250 3.5070 3.5070 3.9266 3.9266 4.1772 4.1772 4.5736 4.5736 6.4005 6.4005 7.1868 7.1868 7.5253 7.5253 8.0407 8.0407 k = 0.2813 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8567 -6.8567 -6.7295 -6.7295 -6.6698 -6.6698 -6.6686 -6.6686 -6.6309 -6.6309 -6.5028 -6.5028 -4.5504 -4.5504 -4.5220 -4.5220 -4.4947 -4.4947 -4.4693 -4.4693 -4.4563 -4.4563 -4.4448 -4.4448 -0.8304 -0.8304 0.3852 0.3852 2.6580 2.6580 3.2250 3.2250 3.5070 3.5070 3.9266 3.9266 4.1772 4.1772 4.5736 4.5736 6.4005 6.4005 7.1868 7.1868 7.5253 7.5253 8.0407 8.0407 k = 0.2596 0.7952-0.0000 ( 5340 PWs) bands (ev): -6.8557 -6.8557 -6.7310 -6.7310 -6.6699 -6.6699 -6.6690 -6.6690 -6.6299 -6.6299 -6.5010 -6.5010 -4.5503 -4.5503 -4.5223 -4.5223 -4.4946 -4.4946 -4.4691 -4.4691 -4.4559 -4.4559 -4.4451 -4.4451 -0.8295 -0.8295 0.3830 0.3830 2.6544 2.6544 3.2303 3.2303 3.5040 3.5040 3.9283 3.9283 4.1727 4.1727 4.5771 4.5771 6.3984 6.3984 7.1701 7.1701 7.5183 7.5183 8.0487 8.0487 k = 0.2380 0.7952-0.0000 ( 5343 PWs) bands (ev): -6.8545 -6.8545 -6.7340 -6.7340 -6.6704 -6.6704 -6.6694 -6.6694 -6.6275 -6.6275 -6.4992 -6.4992 -4.5501 -4.5501 -4.5228 -4.5228 -4.4945 -4.4945 -4.4689 -4.4689 -4.4555 -4.4555 -4.4455 -4.4455 -0.8275 -0.8275 0.3799 0.3799 2.6544 2.6544 3.2330 3.2330 3.5017 3.5017 3.9283 3.9283 4.1625 4.1625 4.5791 4.5791 6.4038 6.4038 7.1574 7.1574 7.5150 7.5150 8.0538 8.0538 k = 0.2164 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8529 -6.8529 -6.7381 -6.7381 -6.6714 -6.6714 -6.6695 -6.6695 -6.6242 -6.6242 -6.4975 -6.4975 -4.5499 -4.5499 -4.5233 -4.5233 -4.4943 -4.4943 -4.4687 -4.4687 -4.4552 -4.4552 -4.4459 -4.4459 -0.8244 -0.8244 0.3760 0.3760 2.6584 2.6584 3.2332 3.2332 3.5000 3.5000 3.9269 3.9269 4.1472 4.1472 4.5799 4.5799 6.4160 6.4160 7.1482 7.1482 7.5148 7.5148 8.0564 8.0564 k = 0.1947 0.7952-0.0000 ( 5334 PWs) bands (ev): -6.8511 -6.8511 -6.7431 -6.7431 -6.6724 -6.6724 -6.6696 -6.6696 -6.6202 -6.6202 -6.4960 -6.4960 -4.5495 -4.5495 -4.5239 -4.5239 -4.4941 -4.4941 -4.4683 -4.4683 -4.4548 -4.4548 -4.4464 -4.4464 -0.8205 -0.8205 0.3713 0.3713 2.6660 2.6660 3.2311 3.2311 3.4987 3.4987 3.9245 3.9245 4.1276 4.1276 4.5797 4.5797 6.4340 6.4340 7.1417 7.1417 7.5171 7.5171 8.0571 8.0571 k = 0.1731 0.7952-0.0000 ( 5334 PWs) bands (ev): -6.8491 -6.8491 -6.7488 -6.7488 -6.6732 -6.6732 -6.6696 -6.6696 -6.6161 -6.6161 -6.4946 -6.4946 -4.5490 -4.5490 -4.5245 -4.5245 -4.4939 -4.4939 -4.4679 -4.4679 -4.4545 -4.4545 -4.4470 -4.4470 -0.8160 -0.8160 0.3660 0.3660 2.6771 2.6771 3.2269 3.2269 3.4975 3.4975 3.9213 3.9213 4.1050 4.1050 4.5791 4.5791 6.4566 6.4566 7.1373 7.1373 7.5212 7.5212 8.0569 8.0569 k = 0.1515 0.7952-0.0000 ( 5338 PWs) bands (ev): -6.8468 -6.8468 -6.7548 -6.7548 -6.6740 -6.6740 -6.6696 -6.6696 -6.6119 -6.6119 -6.4935 -6.4935 -4.5485 -4.5485 -4.5251 -4.5251 -4.4937 -4.4937 -4.4675 -4.4675 -4.4542 -4.4542 -4.4476 -4.4476 -0.8113 -0.8113 0.3604 0.3604 2.6912 2.6912 3.2209 3.2209 3.4961 3.4961 3.9176 3.9176 4.0806 4.0806 4.5781 4.5781 6.4823 6.4823 7.1340 7.1340 7.5262 7.5262 8.0564 8.0564 k = 0.1298 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8443 -6.8443 -6.7609 -6.7609 -6.6746 -6.6746 -6.6695 -6.6695 -6.6079 -6.6079 -6.4926 -6.4926 -4.5480 -4.5480 -4.5257 -4.5257 -4.4935 -4.4935 -4.4670 -4.4670 -4.4540 -4.4540 -4.4482 -4.4482 -0.8064 -0.8064 0.3547 0.3547 2.7075 2.7075 3.2134 3.2134 3.4944 3.4944 3.9137 3.9137 4.0561 4.0561 4.5771 4.5771 6.5097 6.5097 7.1313 7.1313 7.5315 7.5315 8.0564 8.0564 k = 0.1082 0.7952-0.0000 ( 5343 PWs) bands (ev): -6.8416 -6.8416 -6.7669 -6.7669 -6.6750 -6.6750 -6.6695 -6.6695 -6.6044 -6.6044 -6.4919 -6.4919 -4.5475 -4.5475 -4.5263 -4.5263 -4.4933 -4.4933 -4.4665 -4.4665 -4.4538 -4.4538 -4.4488 -4.4488 -0.8018 -0.8018 0.3492 0.3492 2.7250 2.7250 3.2049 3.2049 3.4923 3.4923 3.9096 3.9096 4.0330 4.0330 4.5761 4.5761 6.5371 6.5371 7.1287 7.1287 7.5364 7.5364 8.0572 8.0572 k = 0.0865 0.7952-0.0000 ( 5345 PWs) bands (ev): -6.8389 -6.8389 -6.7725 -6.7725 -6.6754 -6.6754 -6.6695 -6.6695 -6.6012 -6.6012 -6.4913 -6.4913 -4.5470 -4.5470 -4.5269 -4.5269 -4.4931 -4.4931 -4.4660 -4.4660 -4.4536 -4.4536 -4.4493 -4.4493 -0.7976 -0.7976 0.3442 0.3442 2.7427 2.7427 3.1959 3.1959 3.4900 3.4900 3.9057 3.9057 4.0127 4.0127 4.5752 4.5752 6.5630 6.5630 7.1258 7.1258 7.5407 7.5407 8.0588 8.0588 k = 0.0649 0.7952-0.0000 ( 5347 PWs) bands (ev): -6.8363 -6.8363 -6.7774 -6.7774 -6.6756 -6.6756 -6.6695 -6.6695 -6.5987 -6.5987 -6.4910 -6.4910 -4.5466 -4.5466 -4.5273 -4.5273 -4.4929 -4.4929 -4.4655 -4.4655 -4.4536 -4.4536 -4.4498 -4.4498 -0.7941 -0.7941 0.3400 0.3400 2.7590 2.7590 3.1873 3.1873 3.4877 3.4877 3.9020 3.9020 3.9962 3.9962 4.5746 4.5746 6.5856 6.5856 7.1228 7.1228 7.5440 7.5440 8.0611 8.0611 k = 0.0433 0.7952-0.0000 ( 5351 PWs) bands (ev): -6.8341 -6.8341 -6.7813 -6.7813 -6.6758 -6.6758 -6.6695 -6.6695 -6.5968 -6.5968 -6.4907 -6.4907 -4.5463 -4.5463 -4.5277 -4.5277 -4.4928 -4.4928 -4.4651 -4.4651 -4.4535 -4.4535 -4.4501 -4.4501 -0.7915 -0.7915 0.3368 0.3368 2.7723 2.7723 3.1799 3.1799 3.4857 3.4857 3.8990 3.8990 3.9842 3.9842 4.5740 4.5740 6.6033 6.6033 7.1200 7.1200 7.5463 7.5463 8.0634 8.0634 k = 0.0216 0.7952-0.0000 ( 5357 PWs) bands (ev): -6.8325 -6.8325 -6.7839 -6.7839 -6.6759 -6.6759 -6.6695 -6.6695 -6.5957 -6.5957 -6.4906 -6.4906 -4.5461 -4.5461 -4.5279 -4.5279 -4.4928 -4.4928 -4.4649 -4.4649 -4.4536 -4.4536 -4.4504 -4.4504 -0.7898 -0.7898 0.3348 0.3348 2.7811 2.7811 3.1749 3.1749 3.4844 3.4844 3.8970 3.8970 3.9769 3.9769 4.5737 4.5737 6.6146 6.6146 7.1180 7.1180 7.5477 7.5477 8.0651 8.0651 k = 0.0000 0.7952-0.0000 ( 5360 PWs) bands (ev): -6.8320 -6.8320 -6.7848 -6.7848 -6.6759 -6.6759 -6.6695 -6.6695 -6.5953 -6.5953 -6.4906 -6.4906 -4.5460 -4.5460 -4.5280 -4.5280 -4.4927 -4.4927 -4.4648 -4.4648 -4.4536 -4.4536 -4.4504 -4.4504 -0.7893 -0.7893 0.3341 0.3341 2.7842 2.7842 3.1731 3.1731 3.4839 3.4839 3.8962 3.8962 3.9745 3.9745 4.5736 4.5736 6.6185 6.6185 7.1172 7.1172 7.5482 7.5482 8.0657 8.0657 k = 0.0000 0.7952-0.0000 ( 5360 PWs) bands (ev): -6.8320 -6.8320 -6.7848 -6.7848 -6.6759 -6.6759 -6.6695 -6.6695 -6.5953 -6.5953 -6.4906 -6.4906 -4.5460 -4.5460 -4.5280 -4.5280 -4.4927 -4.4927 -4.4648 -4.4648 -4.4536 -4.4536 -4.4504 -4.4504 -0.7893 -0.7893 0.3341 0.3341 2.7842 2.7842 3.1731 3.1731 3.4839 3.4839 3.8962 3.8962 3.9745 3.9745 4.5736 4.5736 6.6185 6.6185 7.1172 7.1172 7.5482 7.5482 8.0657 8.0657 k = 0.0000 0.7952 0.0218 ( 5354 PWs) bands (ev): -6.8327 -6.8327 -6.7854 -6.7854 -6.6759 -6.6759 -6.6696 -6.6696 -6.5946 -6.5946 -6.4899 -6.4899 -4.5459 -4.5459 -4.5277 -4.5277 -4.4926 -4.4926 -4.4649 -4.4649 -4.4540 -4.4540 -4.4497 -4.4497 -0.7879 -0.7879 0.3350 0.3350 2.7818 2.7818 3.1690 3.1690 3.4829 3.4829 3.8851 3.8851 3.9765 3.9765 4.5703 4.5703 6.6260 6.6260 7.1233 7.1233 7.5564 7.5564 8.0637 8.0637 k = 0.0000 0.7952 0.0436 ( 5356 PWs) bands (ev): -6.8350 -6.8350 -6.7870 -6.7870 -6.6759 -6.6759 -6.6697 -6.6697 -6.5923 -6.5923 -6.4878 -6.4878 -4.5457 -4.5457 -4.5270 -4.5270 -4.4922 -4.4922 -4.4653 -4.4653 -4.4547 -4.4547 -4.4482 -4.4482 -0.7839 -0.7839 0.3378 0.3378 2.7747 2.7747 3.1570 3.1570 3.4798 3.4798 3.8556 3.8556 3.9789 3.9789 4.5606 4.5606 6.6483 6.6483 7.1414 7.1414 7.5807 7.5807 8.0586 8.0586 k = 0.0000 0.7952 0.0654 ( 5360 PWs) bands (ev): -6.8387 -6.8387 -6.7897 -6.7897 -6.6759 -6.6759 -6.6698 -6.6698 -6.5887 -6.5887 -6.4846 -6.4846 -4.5452 -4.5452 -4.5259 -4.5259 -4.4915 -4.4915 -4.4659 -4.4659 -4.4552 -4.4552 -4.4464 -4.4464 -0.7771 -0.7771 0.3424 0.3424 2.7628 2.7628 3.1373 3.1373 3.4745 3.4745 3.8132 3.8132 3.9775 3.9775 4.5447 4.5447 6.6843 6.6843 7.1713 7.1713 7.6206 7.6206 8.0524 8.0524 k = 0.0000 0.7952 0.0872 ( 5352 PWs) bands (ev): -6.8435 -6.8435 -6.7935 -6.7935 -6.6760 -6.6760 -6.6699 -6.6699 -6.5836 -6.5836 -6.4802 -6.4802 -4.5446 -4.5446 -4.5244 -4.5244 -4.4906 -4.4906 -4.4667 -4.4667 -4.4554 -4.4554 -4.4443 -4.4443 -0.7677 -0.7677 0.3488 0.3488 2.7461 2.7461 3.1105 3.1105 3.4667 3.4667 3.7609 3.7609 3.9712 3.9712 4.5233 4.5233 6.7328 6.7328 7.2125 7.2125 7.6750 7.6750 8.0476 8.0476 k = 0.0000 0.7952 0.1090 ( 5352 PWs) bands (ev): -6.8493 -6.8493 -6.7982 -6.7982 -6.6762 -6.6762 -6.6699 -6.6699 -6.5774 -6.5774 -6.4749 -6.4749 -4.5438 -4.5438 -4.5225 -4.5225 -4.4894 -4.4894 -4.4676 -4.4676 -4.4553 -4.4553 -4.4421 -4.4421 -0.7556 -0.7556 0.3569 0.3569 2.7246 2.7246 3.0772 3.0772 3.4558 3.4558 3.7010 3.7010 3.9603 3.9603 4.4969 4.4969 6.7921 6.7921 7.2646 7.2646 7.7423 7.7423 8.0469 8.0469 k = 0.0000 0.7952 0.1308 ( 5342 PWs) bands (ev): -6.8558 -6.8558 -6.8039 -6.8039 -6.6766 -6.6766 -6.6699 -6.6699 -6.5701 -6.5701 -6.4689 -6.4689 -4.5428 -4.5428 -4.5204 -4.5204 -4.4881 -4.4881 -4.4685 -4.4685 -4.4550 -4.4550 -4.4398 -4.4398 -0.7408 -0.7408 0.3666 0.3666 2.6984 2.6984 3.0382 3.0382 3.4409 3.4409 3.6360 3.6360 3.9454 3.9454 4.4666 4.4666 6.8600 6.8600 7.3267 7.3267 7.8202 7.8202 8.0532 8.0532 k = 0.0000 0.7952 0.1526 ( 5332 PWs) bands (ev): -6.8628 -6.8628 -6.8104 -6.8104 -6.6770 -6.6770 -6.6698 -6.6698 -6.5619 -6.5619 -6.4623 -6.4623 -4.5417 -4.5417 -4.5181 -4.5181 -4.4867 -4.4867 -4.4690 -4.4690 -4.4544 -4.4544 -4.4373 -4.4373 -0.7234 -0.7234 0.3780 0.3780 2.6675 2.6675 2.9943 2.9943 3.4196 3.4196 3.5692 3.5692 3.9276 3.9276 4.4333 4.4333 6.9344 6.9344 7.3981 7.3981 7.9045 7.9045 8.0708 8.0708 k = 0.0000 0.7952 0.1744 ( 5332 PWs) bands (ev): -6.8702 -6.8702 -6.8175 -6.8175 -6.6774 -6.6774 -6.6697 -6.6697 -6.5530 -6.5530 -6.4552 -6.4552 -4.5405 -4.5405 -4.5157 -4.5157 -4.4856 -4.4856 -4.4691 -4.4691 -4.4537 -4.4537 -4.4346 -4.4346 -0.7033 -0.7033 0.3907 0.3907 2.6321 2.6321 2.9463 2.9463 3.3870 3.3870 3.5066 3.5066 3.9078 3.9078 4.3980 4.3980 7.0131 7.0131 7.4778 7.4778 7.9856 7.9856 8.1090 8.1090 k = 0.0000 0.7952 0.1962 ( 5330 PWs) bands (ev): -6.8778 -6.8778 -6.8251 -6.8251 -6.6777 -6.6777 -6.6697 -6.6697 -6.5436 -6.5436 -6.4479 -6.4479 -4.5392 -4.5392 -4.5131 -4.5131 -4.4849 -4.4849 -4.4684 -4.4684 -4.4528 -4.4528 -4.4319 -4.4319 -0.6806 -0.6806 0.4048 0.4048 2.5924 2.5924 2.8952 2.8952 3.3370 3.3370 3.4552 3.4552 3.8870 3.8870 4.3619 4.3619 7.0938 7.0938 7.5649 7.5649 8.0494 8.0494 8.1814 8.1814 k = 0.0000 0.7952 0.2179 ( 5326 PWs) bands (ev): -6.8854 -6.8854 -6.8332 -6.8332 -6.6781 -6.6781 -6.6696 -6.6696 -6.5337 -6.5337 -6.4405 -6.4405 -4.5378 -4.5378 -4.5105 -4.5105 -4.4849 -4.4849 -4.4667 -4.4667 -4.4517 -4.4517 -4.4289 -4.4289 -0.6553 -0.6553 0.4200 0.4200 2.5487 2.5487 2.8417 2.8417 3.2707 3.2707 3.4144 3.4144 3.8663 3.8663 4.3259 4.3259 7.1741 7.1741 7.6582 7.6582 8.1015 8.1015 8.2820 8.2820 k = 0.0000 0.7952 0.2397 ( 5324 PWs) bands (ev): -6.8930 -6.8930 -6.8416 -6.8416 -6.6783 -6.6783 -6.6696 -6.6696 -6.5235 -6.5235 -6.4331 -6.4331 -4.5363 -4.5363 -4.5078 -4.5078 -4.4854 -4.4854 -4.4644 -4.4644 -4.4502 -4.4502 -4.4259 -4.4259 -0.6274 -0.6274 0.4361 0.4361 2.5013 2.5013 2.7865 2.7865 3.1958 3.1958 3.3770 3.3770 3.8466 3.8466 4.2908 4.2908 7.2519 7.2519 7.7566 7.7566 8.1563 8.1563 8.3954 8.3954 k = 0.0000 0.7952 0.2615 ( 5324 PWs) bands (ev): -6.9005 -6.9005 -6.8502 -6.8502 -6.6785 -6.6785 -6.6697 -6.6697 -6.5132 -6.5132 -6.4258 -6.4258 -4.5349 -4.5349 -4.5051 -4.5051 -4.4863 -4.4863 -4.4618 -4.4618 -4.4484 -4.4484 -4.4226 -4.4226 -0.5970 -0.5970 0.4528 0.4528 2.4508 2.4508 2.7304 2.7304 3.1181 3.1181 3.3379 3.3379 3.8290 3.8290 4.2574 4.2574 7.3255 7.3255 7.8588 7.8588 8.2197 8.2197 8.5139 8.5139 k = 0.0000 0.7952 0.2833 ( 5326 PWs) bands (ev): -6.9078 -6.9078 -6.8588 -6.8588 -6.6786 -6.6786 -6.6697 -6.6697 -6.5028 -6.5028 -6.4187 -6.4187 -4.5335 -4.5335 -4.5024 -4.5024 -4.4875 -4.4875 -4.4593 -4.4593 -4.4458 -4.4458 -4.4193 -4.4193 -0.5641 -0.5641 0.4699 0.4699 2.3978 2.3978 2.6741 2.6741 3.0404 3.0404 3.2948 3.2948 3.8140 3.8140 4.2259 4.2259 7.3939 7.3939 7.9634 7.9634 8.2937 8.2937 8.6331 8.6331 k = 0.0000 0.7952 0.3051 ( 5322 PWs) bands (ev): -6.9148 -6.9148 -6.8675 -6.8675 -6.6786 -6.6786 -6.6698 -6.6698 -6.4924 -6.4924 -6.4119 -6.4119 -4.5321 -4.5321 -4.4997 -4.4997 -4.4888 -4.4888 -4.4572 -4.4572 -4.4424 -4.4424 -4.4159 -4.4159 -0.5287 -0.5287 0.4869 0.4869 2.3427 2.3427 2.6182 2.6182 2.9643 2.9643 3.2470 3.2470 3.8021 3.8021 4.1967 4.1967 7.4566 7.4566 8.0686 8.0686 8.3782 8.3782 8.7493 8.7493 k = 0.0000 0.7952 0.3269 ( 5326 PWs) bands (ev): -6.9214 -6.9214 -6.8760 -6.8760 -6.6786 -6.6786 -6.6700 -6.6700 -6.4821 -6.4821 -6.4054 -6.4054 -4.5307 -4.5307 -4.4971 -4.4971 -4.4901 -4.4901 -4.4558 -4.4558 -4.4382 -4.4382 -4.4123 -4.4123 -0.4909 -0.4909 0.5033 0.5033 2.2866 2.2866 2.5632 2.5632 2.8909 2.8909 3.1946 3.1946 3.7934 3.7934 4.1696 4.1696 7.5142 7.5142 8.1722 8.1722 8.4721 8.4721 8.8591 8.8591 k = 0.0000 0.7952 0.3487 ( 5326 PWs) bands (ev): -6.9277 -6.9277 -6.8844 -6.8844 -6.6785 -6.6785 -6.6701 -6.6701 -6.4720 -6.4720 -6.3993 -6.3993 -4.5294 -4.5294 -4.4950 -4.4950 -4.4910 -4.4910 -4.4547 -4.4547 -4.4334 -4.4334 -4.4087 -4.4087 -0.4507 -0.4507 0.5186 0.5186 2.2302 2.2302 2.5095 2.5095 2.8211 2.8211 3.1380 3.1380 3.7880 3.7880 4.1447 4.1447 7.5674 7.5674 8.2717 8.2717 8.5736 8.5736 8.9591 8.9591 k = 0.0000 0.7952 0.3705 ( 5328 PWs) bands (ev): -6.9335 -6.9335 -6.8926 -6.8926 -6.6784 -6.6784 -6.6703 -6.6703 -6.4621 -6.4621 -6.3936 -6.3936 -4.5281 -4.5281 -4.4947 -4.4947 -4.4900 -4.4900 -4.4541 -4.4541 -4.4283 -4.4283 -4.4051 -4.4051 -0.4083 -0.4083 0.5323 0.5323 2.1746 2.1746 2.4575 2.4575 2.7553 2.7553 3.0781 3.0781 3.7856 3.7856 4.1216 4.1216 7.6172 7.6172 8.3634 8.3634 8.6809 8.6809 9.0474 9.0474 k = 0.0000 0.7952 0.3923 ( 5326 PWs) bands (ev): -6.9389 -6.9389 -6.9005 -6.9005 -6.6782 -6.6782 -6.6705 -6.6705 -6.4525 -6.4525 -6.3885 -6.3885 -4.5269 -4.5269 -4.4959 -4.4959 -4.4877 -4.4877 -4.4536 -4.4536 -4.4231 -4.4231 -4.4015 -4.4015 -0.3637 -0.3637 0.5434 0.5434 2.1210 2.1210 2.4074 2.4074 2.6941 2.6941 3.0158 3.0158 3.7859 3.7859 4.1002 4.1002 7.6647 7.6647 8.4432 8.4432 8.7919 8.7919 9.1244 9.1244 k = 0.0000 0.7952 0.4141 ( 5328 PWs) bands (ev): -6.9438 -6.9438 -6.9081 -6.9081 -6.6780 -6.6780 -6.6707 -6.6707 -6.4433 -6.4433 -6.3839 -6.3839 -4.5257 -4.5257 -4.4973 -4.4973 -4.4852 -4.4852 -4.4534 -4.4534 -4.4178 -4.4178 -4.3980 -4.3980 -0.3170 -0.3170 0.5513 0.5513 2.0707 2.0707 2.3594 2.3594 2.6377 2.6377 2.9521 2.9521 3.7885 3.7885 4.0803 4.0803 7.7108 7.7108 8.5065 8.5065 8.9047 8.9047 9.1935 9.1935 k = 0.0000 0.7952 0.4359 ( 5326 PWs) bands (ev): -6.9482 -6.9482 -6.9153 -6.9153 -6.6777 -6.6777 -6.6709 -6.6709 -6.4345 -6.4345 -6.3799 -6.3799 -4.5245 -4.5245 -4.4988 -4.4988 -4.4826 -4.4826 -4.4534 -4.4534 -4.4126 -4.4126 -4.3947 -4.3947 -0.2684 -0.2684 0.5551 0.5551 2.0250 2.0250 2.3135 2.3135 2.5866 2.5866 2.8879 2.8879 3.7932 3.7932 4.0615 4.0615 7.7563 7.7563 8.5497 8.5497 9.0174 9.0174 9.2596 9.2596 k = 0.0000 0.7952 0.4577 ( 5328 PWs) bands (ev): -6.9521 -6.9521 -6.9221 -6.9221 -6.6775 -6.6775 -6.6712 -6.6712 -6.4261 -6.4261 -6.3764 -6.3764 -4.5234 -4.5234 -4.5003 -4.5003 -4.4801 -4.4801 -4.4536 -4.4536 -4.4076 -4.4076 -4.3915 -4.3915 -0.2180 -0.2180 0.5539 0.5539 1.9851 1.9851 2.2697 2.2697 2.5409 2.5409 2.8242 2.8242 3.7997 3.7997 4.0436 4.0436 7.8018 7.8018 8.5716 8.5716 9.1281 9.1281 9.3269 9.3269 k = 0.0000 0.7952 0.4795 ( 5322 PWs) bands (ev): -6.9554 -6.9554 -6.9285 -6.9285 -6.6771 -6.6771 -6.6715 -6.6715 -6.4181 -6.4181 -6.3736 -6.3736 -4.5222 -4.5222 -4.5017 -4.5017 -4.4776 -4.4776 -4.4539 -4.4539 -4.4028 -4.4028 -4.3885 -4.3885 -0.1659 -0.1659 0.5469 0.5469 1.9521 1.9521 2.2280 2.2280 2.5010 2.5010 2.7619 2.7619 3.8076 3.8076 4.0265 4.0265 7.8476 7.8476 8.5734 8.5734 9.2350 9.2350 9.3964 9.3964 k = 0.0000 0.7952 0.5013 ( 5314 PWs) bands (ev): -6.9581 -6.9581 -6.9344 -6.9344 -6.6768 -6.6768 -6.6718 -6.6718 -6.4107 -6.4107 -6.3714 -6.3714 -4.5210 -4.5210 -4.5032 -4.5032 -4.4752 -4.4752 -4.4543 -4.4543 -4.3983 -4.3983 -4.3859 -4.3859 -0.1124 -0.1124 0.5336 0.5336 1.9268 1.9268 2.1883 2.1883 2.4670 2.4670 2.7019 2.7019 3.8169 3.8169 4.0100 4.0100 7.8942 7.8942 8.5585 8.5585 9.3361 9.3361 9.4665 9.4665 k = 0.0000 0.7952 0.5231 ( 5312 PWs) bands (ev): -6.9603 -6.9603 -6.9398 -6.9398 -6.6765 -6.6765 -6.6721 -6.6721 -6.4038 -6.4038 -6.3699 -6.3699 -4.5199 -4.5199 -4.5047 -4.5047 -4.4729 -4.4729 -4.4549 -4.4549 -4.3942 -4.3942 -4.3836 -4.3836 -0.0578 -0.0578 0.5137 0.5137 1.9097 1.9097 2.1505 2.1505 2.4393 2.4393 2.6452 2.6452 3.8272 3.8272 3.9939 3.9939 7.9418 7.9418 8.5309 8.5309 9.4297 9.4297 9.5343 9.5343 k = 0.0000 0.7952 0.5449 ( 5310 PWs) bands (ev): -6.9618 -6.9618 -6.9447 -6.9447 -6.6761 -6.6761 -6.6724 -6.6724 -6.3974 -6.3974 -6.3690 -6.3690 -4.5187 -4.5187 -4.5061 -4.5061 -4.4707 -4.4707 -4.4557 -4.4557 -4.3905 -4.3905 -4.3817 -4.3817 -0.0022 -0.0022 0.4872 0.4872 1.9010 1.9010 2.1144 2.1144 2.4181 2.4181 2.5925 2.5925 3.8385 3.8385 3.9783 3.9783 7.9904 7.9904 8.4941 8.4941 9.5139 9.5139 9.5967 9.5967 k = 0.0000 0.7952 0.5667 ( 5294 PWs) bands (ev): -6.9628 -6.9628 -6.9490 -6.9490 -6.6757 -6.6757 -6.6727 -6.6727 -6.3917 -6.3917 -6.3689 -6.3689 -4.5176 -4.5176 -4.5075 -4.5075 -4.4686 -4.4686 -4.4566 -4.4566 -4.3872 -4.3872 -4.3802 -4.3802 0.0538 0.0538 0.4543 0.4543 1.9002 1.9002 2.0800 2.0800 2.4035 2.4035 2.5447 2.5447 3.8505 3.8505 3.9629 3.9629 8.0402 8.0402 8.4508 8.4508 9.5868 9.5868 9.6506 9.6506 k = 0.0000 0.7952 0.5885 ( 5302 PWs) bands (ev): -6.9632 -6.9632 -6.9528 -6.9528 -6.6754 -6.6754 -6.6731 -6.6731 -6.3866 -6.3866 -6.3694 -6.3694 -4.5164 -4.5164 -4.5088 -4.5088 -4.4667 -4.4667 -4.4576 -4.4576 -4.3845 -4.3845 -4.3792 -4.3792 0.1100 0.1100 0.4157 0.4157 1.9068 1.9068 2.0472 2.0472 2.3959 2.3959 2.5026 2.5026 3.8632 3.8632 3.9478 3.9478 8.0910 8.0910 8.4031 8.4031 9.6471 9.6471 9.6936 9.6936 k = 0.0000 0.7952 0.6102 ( 5302 PWs) bands (ev): -6.9629 -6.9629 -6.9560 -6.9560 -6.6750 -6.6750 -6.6735 -6.6735 -6.3820 -6.3820 -6.3706 -6.3706 -4.5152 -4.5152 -4.5102 -4.5102 -4.4649 -4.4649 -4.4588 -4.4588 -4.3823 -4.3823 -4.3788 -4.3788 0.1658 0.1658 0.3722 0.3722 1.9199 1.9199 2.0162 2.0162 2.3954 2.3954 2.4669 2.4669 3.8764 3.8764 3.9330 3.9330 8.1427 8.1427 8.3527 8.3527 9.6932 9.6932 9.7237 9.7237 k = 0.0000 0.7952 0.6320 ( 5298 PWs) bands (ev): -6.9621 -6.9621 -6.9586 -6.9586 -6.6746 -6.6746 -6.6738 -6.6738 -6.3782 -6.3782 -6.3724 -6.3724 -4.5140 -4.5140 -4.5115 -4.5115 -4.4631 -4.4631 -4.4601 -4.4601 -4.3806 -4.3806 -4.3788 -4.3788 0.2206 0.2206 0.3246 0.3246 1.9383 1.9383 1.9873 1.9873 2.4022 2.4022 2.4380 2.4380 3.8901 3.8901 3.9184 3.9184 8.1952 8.1952 8.3007 8.3007 9.7243 9.7243 9.7394 9.7394 k = 0.0000 0.7952 0.6538 ( 5300 PWs) bands (ev): -6.9607 -6.9607 -6.9607 -6.9607 -6.6742 -6.6742 -6.6742 -6.6742 -6.3750 -6.3750 -6.3750 -6.3750 -4.5127 -4.5127 -4.5127 -4.5127 -4.4616 -4.4616 -4.4616 -4.4616 -4.3794 -4.3794 -4.3794 -4.3794 0.2738 0.2738 0.2738 0.2738 1.9611 1.9611 1.9611 1.9611 2.4164 2.4164 2.4164 2.4164 3.9041 3.9041 3.9041 3.9041 8.2480 8.2480 8.2480 8.2480 9.7397 9.7397 9.7397 9.7397 k = 0.0000 0.7952 0.6538 ( 5300 PWs) bands (ev): -6.9607 -6.9607 -6.9607 -6.9607 -6.6742 -6.6742 -6.6742 -6.6742 -6.3750 -6.3750 -6.3750 -6.3750 -4.5127 -4.5127 -4.5127 -4.5127 -4.4616 -4.4616 -4.4616 -4.4616 -4.3794 -4.3794 -4.3794 -4.3794 0.2738 0.2738 0.2738 0.2738 1.9611 1.9611 1.9611 1.9611 2.4164 2.4164 2.4164 2.4164 3.9041 3.9041 3.9041 3.9041 8.2480 8.2480 8.2480 8.2480 9.7397 9.7397 9.7397 9.7397 k = 0.0216 0.7952 0.6538 ( 5300 PWs) bands (ev): -6.9620 -6.9620 -6.9593 -6.9593 -6.6746 -6.6746 -6.6739 -6.6739 -6.3778 -6.3778 -6.3722 -6.3722 -4.5129 -4.5129 -4.5126 -4.5126 -4.4631 -4.4631 -4.4600 -4.4600 -4.3795 -4.3795 -4.3794 -4.3794 0.2698 0.2698 0.2765 0.2765 1.9395 1.9395 1.9748 1.9748 2.4097 2.4097 2.4362 2.4362 3.8998 3.8998 3.9066 3.9066 8.2183 8.2183 8.2762 8.2762 9.7132 9.7132 9.7717 9.7717 k = 0.0433 0.7952 0.6538 ( 5302 PWs) bands (ev): -6.9631 -6.9631 -6.9578 -6.9578 -6.6749 -6.6749 -6.6735 -6.6735 -6.3807 -6.3807 -6.3697 -6.3697 -4.5130 -4.5130 -4.5125 -4.5125 -4.4646 -4.4646 -4.4585 -4.4585 -4.3797 -4.3797 -4.3795 -4.3795 0.2646 0.2646 0.2777 0.2777 1.9127 1.9127 1.9792 1.9792 2.4176 2.4176 2.4665 2.4665 3.8938 3.8938 3.9073 3.9073 8.1876 8.1876 8.3023 8.3023 9.6923 9.6923 9.8084 9.8084 k = 0.0649 0.7952 0.6538 ( 5310 PWs) bands (ev): -6.9642 -6.9642 -6.9562 -6.9562 -6.6753 -6.6753 -6.6731 -6.6731 -6.3836 -6.3836 -6.3673 -6.3673 -4.5131 -4.5131 -4.5124 -4.5124 -4.4661 -4.4661 -4.4571 -4.4571 -4.3800 -4.3800 -4.3796 -4.3796 0.2582 0.2582 0.2776 0.2776 1.8835 1.8835 1.9747 1.9747 2.4391 2.4391 2.5043 2.5043 3.8863 3.8863 3.9064 3.9064 8.1565 8.1565 8.3257 8.3257 9.6773 9.6773 9.8494 9.8494 k = 0.0865 0.7952 0.6538 ( 5310 PWs) bands (ev): -6.9650 -6.9650 -6.9547 -6.9547 -6.6756 -6.6756 -6.6728 -6.6728 -6.3865 -6.3865 -6.3651 -6.3651 -4.5133 -4.5133 -4.5123 -4.5123 -4.4676 -4.4676 -4.4557 -4.4557 -4.3803 -4.3803 -4.3799 -4.3799 0.2508 0.2508 0.2760 0.2760 1.8542 1.8542 1.9639 1.9639 2.4716 2.4716 2.5472 2.5472 3.8775 3.8775 3.9040 3.9040 8.1254 8.1254 8.3458 8.3458 9.6683 9.6683 9.8940 9.8940 k = 0.1082 0.7952 0.6538 ( 5318 PWs) bands (ev): -6.9657 -6.9657 -6.9531 -6.9531 -6.6759 -6.6759 -6.6724 -6.6724 -6.3894 -6.3894 -6.3633 -6.3633 -4.5134 -4.5134 -4.5123 -4.5123 -4.4689 -4.4689 -4.4544 -4.4544 -4.3808 -4.3808 -4.3802 -4.3802 0.2423 0.2423 0.2730 0.2730 1.8263 1.8263 1.9495 1.9495 2.5116 2.5116 2.5931 2.5931 3.8679 3.8679 3.9006 3.9006 8.0946 8.0946 8.3622 8.3622 9.6650 9.6650 9.9411 9.9411 k = 0.1298 0.7952 0.6538 ( 5320 PWs) bands (ev): -6.9662 -6.9662 -6.9515 -6.9515 -6.6762 -6.6762 -6.6721 -6.6721 -6.3921 -6.3921 -6.3617 -6.3617 -4.5136 -4.5136 -4.5122 -4.5122 -4.4701 -4.4701 -4.4532 -4.4532 -4.3813 -4.3813 -4.3805 -4.3805 0.2331 0.2331 0.2685 0.2685 1.8010 1.8010 1.9339 1.9339 2.5561 2.5561 2.6404 2.6404 3.8580 3.8580 3.8965 3.8965 8.0645 8.0645 8.3743 8.3743 9.6669 9.6669 9.9896 9.9896 k = 0.1515 0.7952 0.6538 ( 5318 PWs) bands (ev): -6.9665 -6.9665 -6.9500 -6.9500 -6.6765 -6.6765 -6.6718 -6.6718 -6.3946 -6.3946 -6.3605 -6.3605 -4.5137 -4.5137 -4.5122 -4.5122 -4.4712 -4.4712 -4.4521 -4.4521 -4.3819 -4.3819 -4.3810 -4.3810 0.2230 0.2230 0.2627 0.2627 1.7792 1.7792 1.9189 1.9189 2.6025 2.6025 2.6875 2.6875 3.8484 3.8484 3.8923 3.8923 8.0355 8.0355 8.3821 8.3821 9.6732 9.6732 10.0383 10.0383 k = 0.1731 0.7952 0.6538 ( 5312 PWs) bands (ev): -6.9666 -6.9666 -6.9486 -6.9486 -6.6767 -6.6767 -6.6715 -6.6715 -6.3969 -6.3969 -6.3596 -6.3596 -4.5138 -4.5138 -4.5122 -4.5122 -4.4722 -4.4722 -4.4512 -4.4512 -4.3826 -4.3826 -4.3815 -4.3815 0.2124 0.2124 0.2555 0.2555 1.7613 1.7613 1.9057 1.9057 2.6487 2.6487 2.7331 2.7331 3.8397 3.8397 3.8886 3.8886 8.0077 8.0077 8.3854 8.3854 9.6825 9.6825 10.0851 10.0851 k = 0.1947 0.7952 0.6538 ( 5312 PWs) bands (ev): -6.9665 -6.9665 -6.9473 -6.9473 -6.6768 -6.6768 -6.6713 -6.6713 -6.3990 -6.3990 -6.3591 -6.3591 -4.5139 -4.5139 -4.5122 -4.5122 -4.4729 -4.4729 -4.4504 -4.4504 -4.3834 -4.3834 -4.3820 -4.3820 0.2013 0.2013 0.2471 0.2471 1.7477 1.7477 1.8951 1.8951 2.6927 2.6927 2.7759 2.7759 3.8328 3.8328 3.8859 3.8859 7.9816 7.9816 8.3844 8.3844 9.6934 9.6934 10.1281 10.1281 k = 0.2164 0.7952 0.6538 ( 5314 PWs) bands (ev): -6.9662 -6.9662 -6.9461 -6.9461 -6.6770 -6.6770 -6.6712 -6.6712 -6.4008 -6.4008 -6.3591 -6.3591 -4.5140 -4.5140 -4.5122 -4.5122 -4.4735 -4.4735 -4.4498 -4.4498 -4.3842 -4.3842 -4.3826 -4.3826 0.1900 0.1900 0.2377 0.2377 1.7386 1.7386 1.8876 1.8876 2.7331 2.7331 2.8146 2.8146 3.8283 3.8283 3.8849 3.8849 7.9576 7.9576 8.3795 8.3795 9.7040 9.7040 10.1647 10.1647 k = 0.2380 0.7952 0.6538 ( 5318 PWs) bands (ev): -6.9657 -6.9657 -6.9451 -6.9451 -6.6771 -6.6771 -6.6710 -6.6710 -6.4024 -6.4024 -6.3594 -6.3594 -4.5141 -4.5141 -4.5123 -4.5123 -4.4739 -4.4739 -4.4494 -4.4494 -4.3850 -4.3850 -4.3832 -4.3832 0.1785 0.1785 0.2274 0.2274 1.7342 1.7342 1.8835 1.8835 2.7685 2.7685 2.8481 2.8481 3.8270 3.8270 3.8862 3.8862 7.9360 7.9360 8.3710 8.3710 9.7124 9.7124 10.1923 10.1923 k = 0.2596 0.7952 0.6538 ( 5320 PWs) bands (ev): -6.9651 -6.9651 -6.9443 -6.9443 -6.6772 -6.6772 -6.6710 -6.6710 -6.4036 -6.4036 -6.3602 -6.3602 -4.5142 -4.5142 -4.5124 -4.5124 -4.4741 -4.4741 -4.4493 -4.4493 -4.3859 -4.3859 -4.3839 -4.3839 0.1671 0.1671 0.2165 0.2165 1.7343 1.7343 1.8828 1.8828 2.7977 2.7977 2.8756 2.8756 3.8294 3.8294 3.8901 3.8901 7.9172 7.9172 8.3597 8.3597 9.7170 9.7170 10.2086 10.2086 k = 0.2813 0.7952 0.6538 ( 5328 PWs) bands (ev): -6.9642 -6.9642 -6.9437 -6.9437 -6.6773 -6.6773 -6.6710 -6.6710 -6.4045 -6.4045 -6.3614 -6.3614 -4.5143 -4.5143 -4.5125 -4.5125 -4.4742 -4.4742 -4.4493 -4.4493 -4.3868 -4.3868 -4.3846 -4.3846 0.1560 0.1560 0.2051 0.2051 1.7390 1.7390 1.8856 1.8856 2.8199 2.8199 2.8964 2.8964 3.8356 3.8356 3.8966 3.8966 7.9019 7.9019 8.3461 8.3461 9.7167 9.7167 10.2121 10.2121 k = 0.2813 0.7952 0.6538 ( 5328 PWs) bands (ev): -6.9642 -6.9642 -6.9437 -6.9437 -6.6773 -6.6773 -6.6710 -6.6710 -6.4045 -6.4045 -6.3614 -6.3614 -4.5143 -4.5143 -4.5125 -4.5125 -4.4742 -4.4742 -4.4493 -4.4493 -4.3868 -4.3868 -4.3846 -4.3846 0.1560 0.1560 0.2051 0.2051 1.7390 1.7390 1.8856 1.8856 2.8199 2.8199 2.8964 2.8964 3.8356 3.8356 3.8966 3.8966 7.9019 7.9019 8.3461 8.3461 9.7167 9.7167 10.2121 10.2121 k = 0.2741 0.7748 0.6538 ( 5316 PWs) bands (ev): -6.9669 -6.9669 -6.9451 -6.9451 -6.6772 -6.6772 -6.6709 -6.6709 -6.4027 -6.4027 -6.3575 -6.3575 -4.5141 -4.5141 -4.5122 -4.5122 -4.4745 -4.4745 -4.4489 -4.4489 -4.3843 -4.3843 -4.3826 -4.3826 0.1870 0.1870 0.2376 0.2376 1.7217 1.7217 1.8754 1.8754 2.7663 2.7663 2.8470 2.8470 3.8111 3.8111 3.8732 3.8732 7.9416 7.9416 8.3886 8.3886 9.7244 9.7244 10.2199 10.2199 k = 0.2669 0.7544 0.6538 ( 5304 PWs) bands (ev): -6.9692 -6.9692 -6.9461 -6.9461 -6.6771 -6.6771 -6.6708 -6.6708 -6.4016 -6.4016 -6.3543 -6.3543 -4.5139 -4.5139 -4.5120 -4.5120 -4.4748 -4.4748 -4.4486 -4.4486 -4.3823 -4.3823 -4.3811 -4.3811 0.2142 0.2142 0.2656 0.2656 1.7116 1.7116 1.8723 1.8723 2.7173 2.7173 2.8029 2.8029 3.7867 3.7867 3.8499 3.8499 7.9798 7.9798 8.4296 8.4296 9.7290 9.7290 10.2244 10.2244 k = 0.2596 0.7340 0.6538 ( 5304 PWs) bands (ev): -6.9712 -6.9712 -6.9468 -6.9468 -6.6771 -6.6771 -6.6707 -6.6707 -6.4012 -6.4012 -6.3518 -6.3518 -4.5138 -4.5138 -4.5118 -4.5118 -4.4752 -4.4752 -4.4483 -4.4483 -4.3808 -4.3808 -4.3799 -4.3799 0.2369 0.2369 0.2886 0.2886 1.7088 1.7088 1.8766 1.8766 2.6733 2.6733 2.7645 2.7645 3.7627 3.7627 3.8268 3.8268 8.0164 8.0164 8.4689 8.4689 9.7305 9.7305 10.2258 10.2258 k = 0.2524 0.7137 0.6538 ( 5298 PWs) bands (ev): -6.9728 -6.9728 -6.9471 -6.9471 -6.6770 -6.6770 -6.6706 -6.6706 -6.4015 -6.4015 -6.3500 -6.3500 -4.5136 -4.5136 -4.5117 -4.5117 -4.4755 -4.4755 -4.4481 -4.4481 -4.3797 -4.3797 -4.3792 -4.3792 0.2548 0.2548 0.3061 0.3061 1.7134 1.7134 1.8882 1.8882 2.6345 2.6345 2.7324 2.7324 3.7390 3.7390 3.8038 3.8038 8.0515 8.0515 8.5067 8.5067 9.7288 9.7288 10.2243 10.2243 k = 0.2452 0.6933 0.6538 ( 5304 PWs) bands (ev): -6.9742 -6.9742 -6.9472 -6.9472 -6.6770 -6.6770 -6.6705 -6.6705 -6.4025 -6.4025 -6.3490 -6.3490 -4.5134 -4.5134 -4.5117 -4.5117 -4.4760 -4.4760 -4.4481 -4.4481 -4.3792 -4.3792 -4.3789 -4.3789 0.2676 0.2676 0.3178 0.3178 1.7252 1.7252 1.9072 1.9072 2.6013 2.6013 2.7069 2.7069 3.7159 3.7159 3.7812 3.7812 8.0849 8.0849 8.5428 8.5428 9.7240 9.7240 10.2199 10.2199 k = 0.2380 0.6729 0.6538 ( 5296 PWs) bands (ev): -6.9752 -6.9752 -6.9470 -6.9470 -6.6770 -6.6770 -6.6704 -6.6704 -6.4042 -6.4042 -6.3488 -6.3488 -4.5132 -4.5132 -4.5117 -4.5117 -4.4764 -4.4764 -4.4480 -4.4480 -4.3791 -4.3791 -4.3790 -4.3790 0.2752 0.2752 0.3236 0.3236 1.7438 1.7438 1.9334 1.9334 2.5739 2.5739 2.6887 2.6887 3.6936 3.6936 3.7589 3.7589 8.1167 8.1167 8.5773 8.5773 9.7164 9.7164 10.2123 10.2123 k = 0.2308 0.6525 0.6538 ( 5296 PWs) bands (ev): -6.9759 -6.9759 -6.9465 -6.9465 -6.6770 -6.6770 -6.6703 -6.6703 -6.4066 -6.4066 -6.3492 -6.3492 -4.5131 -4.5131 -4.5118 -4.5118 -4.4768 -4.4768 -4.4481 -4.4481 -4.3795 -4.3795 -4.3795 -4.3795 0.2776 0.2776 0.3237 0.3237 1.7687 1.7687 1.9662 1.9662 2.5525 2.5525 2.6780 2.6780 3.6722 3.6722 3.7371 3.7371 8.1466 8.1466 8.6098 8.6098 9.7059 9.7059 10.2016 10.2016 k = 0.2236 0.6321 0.6538 ( 5300 PWs) bands (ev): -6.9763 -6.9763 -6.9457 -6.9457 -6.6770 -6.6770 -6.6702 -6.6702 -6.4096 -6.4096 -6.3504 -6.3504 -4.5129 -4.5129 -4.5119 -4.5119 -4.4773 -4.4773 -4.4482 -4.4482 -4.3804 -4.3804 -4.3804 -4.3804 0.2751 0.2751 0.3183 0.3183 1.7989 1.7989 2.0053 2.0053 2.5372 2.5372 2.6752 2.6752 3.6522 3.6522 3.7161 3.7161 8.1746 8.1746 8.6404 8.6404 9.6928 9.6928 10.1874 10.1874 k = 0.2164 0.6117 0.6538 ( 5308 PWs) bands (ev): -6.9763 -6.9763 -6.9445 -6.9445 -6.6771 -6.6771 -6.6702 -6.6702 -6.4132 -6.4132 -6.3524 -6.3524 -4.5127 -4.5127 -4.5121 -4.5121 -4.4778 -4.4778 -4.4485 -4.4485 -4.3818 -4.3818 -4.3817 -4.3817 0.2678 0.2678 0.3080 0.3080 1.8336 1.8336 2.0498 2.0498 2.5280 2.5280 2.6807 2.6807 3.6338 3.6338 3.6960 3.6960 8.2006 8.2006 8.6685 8.6685 9.6772 9.6772 10.1693 10.1693 k = 0.2092 0.5913 0.6538 ( 5308 PWs) bands (ev): -6.9761 -6.9761 -6.9431 -6.9431 -6.6771 -6.6771 -6.6701 -6.6701 -6.4175 -6.4175 -6.3550 -6.3550 -4.5125 -4.5125 -4.5124 -4.5124 -4.4782 -4.4782 -4.4488 -4.4488 -4.3837 -4.3837 -4.3834 -4.3834 0.2563 0.2563 0.2933 0.2933 1.8716 1.8716 2.0989 2.0989 2.5249 2.5249 2.6945 2.6945 3.6175 3.6175 3.6771 3.6771 8.2243 8.2243 8.6939 8.6939 9.6596 9.6596 10.1472 10.1472 k = 0.2019 0.5709 0.6538 ( 5300 PWs) bands (ev): -6.9755 -6.9755 -6.9415 -6.9415 -6.6771 -6.6771 -6.6700 -6.6700 -6.4223 -6.4223 -6.3583 -6.3583 -4.5127 -4.5127 -4.5124 -4.5124 -4.4787 -4.4787 -4.4492 -4.4492 -4.3859 -4.3859 -4.3854 -4.3854 0.2410 0.2410 0.2747 0.2747 1.9121 1.9121 2.1517 2.1517 2.5279 2.5279 2.7168 2.7168 3.6038 3.6038 3.6597 3.6597 8.2456 8.2456 8.7161 8.7161 9.6402 9.6402 10.1204 10.1204 k = 0.1947 0.5505 0.6538 ( 5296 PWs) bands (ev): -6.9746 -6.9746 -6.9395 -6.9395 -6.6772 -6.6772 -6.6698 -6.6698 -6.4277 -6.4277 -6.3623 -6.3623 -4.5131 -4.5131 -4.5122 -4.5122 -4.4792 -4.4792 -4.4497 -4.4497 -4.3886 -4.3886 -4.3876 -4.3876 0.2224 0.2224 0.2529 0.2529 1.9539 1.9539 2.2071 2.2071 2.5368 2.5368 2.7475 2.7475 3.5934 3.5934 3.6440 3.6440 8.2640 8.2640 8.7345 8.7345 9.6193 9.6193 10.0885 10.0885 k = 0.1875 0.5301 0.6538 ( 5308 PWs) bands (ev): -6.9734 -6.9734 -6.9373 -6.9373 -6.6772 -6.6772 -6.6697 -6.6697 -6.4336 -6.4336 -6.3670 -6.3670 -4.5136 -4.5136 -4.5119 -4.5119 -4.4797 -4.4797 -4.4502 -4.4502 -4.3916 -4.3916 -4.3902 -4.3902 0.2010 0.2010 0.2285 0.2285 1.9965 1.9965 2.2640 2.2640 2.5515 2.5515 2.7862 2.7862 3.5868 3.5868 3.6306 3.6306 8.2794 8.2794 8.7482 8.7482 9.5973 9.5973 10.0510 10.0510 k = 0.1803 0.5098 0.6538 ( 5304 PWs) bands (ev): -6.9719 -6.9719 -6.9349 -6.9349 -6.6773 -6.6773 -6.6696 -6.6696 -6.4400 -6.4400 -6.3722 -6.3722 -4.5141 -4.5141 -4.5117 -4.5117 -4.4801 -4.4801 -4.4509 -4.4509 -4.3950 -4.3950 -4.3930 -4.3930 0.1773 0.1773 0.2020 0.2020 2.0391 2.0391 2.3209 2.3209 2.5718 2.5718 2.8325 2.8325 3.5849 3.5849 3.6199 3.6199 8.2914 8.2914 8.7565 8.7565 9.5746 9.5746 10.0074 10.0074 k = 0.1731 0.4894 0.6538 ( 5304 PWs) bands (ev): -6.9701 -6.9701 -6.9322 -6.9322 -6.6774 -6.6774 -6.6695 -6.6695 -6.4468 -6.4468 -6.3781 -6.3781 -4.5147 -4.5147 -4.5115 -4.5115 -4.4806 -4.4806 -4.4516 -4.4516 -4.3986 -4.3986 -4.3960 -4.3960 0.1518 0.1518 0.1738 0.1738 2.0812 2.0812 2.3766 2.3766 2.5977 2.5977 2.8855 2.8855 3.5886 3.5886 3.6124 3.6124 8.2995 8.2995 8.7584 8.7584 9.5514 9.5514 9.9571 9.9571 k = 0.1659 0.4690 0.6538 ( 5306 PWs) bands (ev): -6.9679 -6.9679 -6.9293 -6.9293 -6.6775 -6.6775 -6.6694 -6.6694 -6.4540 -6.4540 -6.3845 -6.3845 -4.5153 -4.5153 -4.5112 -4.5112 -4.4810 -4.4810 -4.4525 -4.4525 -4.4025 -4.4025 -4.3992 -4.3992 0.1249 0.1249 0.1446 0.1446 2.1226 2.1226 2.4292 2.4292 2.6293 2.6293 2.9441 2.9441 3.5987 3.5987 3.6088 3.6088 8.3035 8.3035 8.7529 8.7529 9.5280 9.5280 9.9001 9.9001 k = 0.1587 0.4486 0.6538 ( 5302 PWs) bands (ev): -6.9655 -6.9655 -6.9262 -6.9262 -6.6775 -6.6775 -6.6693 -6.6693 -6.4616 -6.4616 -6.3914 -6.3914 -4.5160 -4.5160 -4.5110 -4.5110 -4.4815 -4.4815 -4.4534 -4.4534 -4.4066 -4.4066 -4.4024 -4.4024 0.0970 0.0970 0.1146 0.1146 2.1629 2.1629 2.4771 2.4771 2.6667 2.6667 3.0072 3.0072 3.6100 3.6100 3.6160 3.6160 8.3027 8.3027 8.7392 8.7392 9.5042 9.5042 9.8364 9.8364 k = 0.1515 0.4282 0.6538 ( 5306 PWs) bands (ev): -6.9628 -6.9628 -6.9229 -6.9229 -6.6776 -6.6776 -6.6691 -6.6691 -6.4694 -6.4694 -6.3988 -6.3988 -4.5167 -4.5167 -4.5107 -4.5107 -4.4819 -4.4819 -4.4545 -4.4545 -4.4108 -4.4108 -4.4058 -4.4058 0.0685 0.0685 0.0842 0.0842 2.2018 2.2018 2.5190 2.5190 2.7099 2.7099 3.0732 3.0732 3.6170 3.6170 3.6414 3.6414 8.2968 8.2968 8.7166 8.7166 9.4794 9.4794 9.7665 9.7665 k = 0.1442 0.4078 0.6538 ( 5310 PWs) bands (ev): -6.9598 -6.9598 -6.9194 -6.9194 -6.6777 -6.6777 -6.6690 -6.6690 -6.4776 -6.4776 -6.4066 -6.4066 -4.5175 -4.5175 -4.5104 -4.5104 -4.4823 -4.4823 -4.4557 -4.4557 -4.4151 -4.4151 -4.4093 -4.4093 0.0398 0.0398 0.0537 0.0537 2.2393 2.2393 2.5540 2.5540 2.7586 2.7586 3.1404 3.1404 3.6311 3.6311 3.6751 3.6751 8.2852 8.2852 8.6846 8.6846 9.4529 9.4529 9.6914 9.6914 k = 0.1370 0.3874 0.6538 ( 5310 PWs) bands (ev): -6.9566 -6.9566 -6.9158 -6.9158 -6.6778 -6.6778 -6.6688 -6.6688 -6.4859 -6.4859 -6.4148 -6.4148 -4.5182 -4.5182 -4.5101 -4.5101 -4.4827 -4.4827 -4.4570 -4.4570 -4.4194 -4.4194 -4.4128 -4.4128 0.0111 0.0111 0.0235 0.0235 2.2750 2.2750 2.5821 2.5821 2.8120 2.8120 3.2068 3.2068 3.6537 3.6537 3.7172 3.7172 8.2675 8.2675 8.6431 8.6431 9.4236 9.4236 9.6123 9.6123 k = 0.1298 0.3670 0.6538 ( 5314 PWs) bands (ev): -6.9531 -6.9531 -6.9121 -6.9121 -6.6779 -6.6779 -6.6686 -6.6686 -6.4943 -6.4943 -6.4234 -6.4234 -4.5190 -4.5190 -4.5098 -4.5098 -4.4830 -4.4830 -4.4585 -4.4585 -4.4236 -4.4236 -4.4163 -4.4163 -0.0174 -0.0174 -0.0063 -0.0063 2.3087 2.3087 2.6036 2.6036 2.8693 2.8693 3.2704 3.2704 3.6864 3.6864 3.7675 3.7675 8.2432 8.2432 8.5923 8.5923 9.3901 9.3901 9.5306 9.5306 k = 0.1226 0.3466 0.6538 ( 5310 PWs) bands (ev): -6.9494 -6.9494 -6.9083 -6.9083 -6.6779 -6.6779 -6.6684 -6.6684 -6.5028 -6.5028 -6.4322 -6.4322 -4.5197 -4.5197 -4.5095 -4.5095 -4.4834 -4.4834 -4.4602 -4.4602 -4.4277 -4.4277 -4.4197 -4.4197 -0.0452 -0.0452 -0.0353 -0.0353 2.3401 2.3401 2.6193 2.6193 2.9297 2.9297 3.3296 3.3296 3.7300 3.7300 3.8252 3.8252 8.2121 8.2121 8.5326 8.5326 9.3516 9.3516 9.4478 9.4478 k = 0.1154 0.3262 0.6538 ( 5306 PWs) bands (ev): -6.9454 -6.9454 -6.9045 -6.9045 -6.6780 -6.6780 -6.6682 -6.6682 -6.5113 -6.5113 -6.4413 -6.4413 -4.5205 -4.5205 -4.5092 -4.5092 -4.4837 -4.4837 -4.4621 -4.4621 -4.4316 -4.4316 -4.4231 -4.4231 -0.0724 -0.0724 -0.0635 -0.0635 2.3690 2.3690 2.6300 2.6300 2.9927 2.9927 3.3839 3.3839 3.7847 3.7847 3.8892 3.8892 8.1739 8.1739 8.4648 8.4648 9.3078 9.3078 9.3653 9.3653 k = 0.1082 0.3059 0.6538 ( 5310 PWs) bands (ev): -6.9412 -6.9412 -6.9006 -6.9006 -6.6780 -6.6780 -6.6680 -6.6680 -6.5196 -6.5196 -6.4506 -6.4506 -4.5212 -4.5212 -4.5088 -4.5088 -4.4840 -4.4840 -4.4643 -4.4643 -4.4352 -4.4352 -4.4264 -4.4264 -0.0986 -0.0986 -0.0907 -0.0907 2.3952 2.3952 2.6362 2.6362 3.0576 3.0576 3.4335 3.4335 3.8492 3.8492 3.9585 3.9585 8.1287 8.1287 8.3898 8.3898 9.2591 9.2591 9.2846 9.2846 k = 0.1010 0.2855 0.6538 ( 5318 PWs) bands (ev): -6.9369 -6.9369 -6.8967 -6.8967 -6.6781 -6.6781 -6.6678 -6.6678 -6.5279 -6.5279 -6.4600 -6.4600 -4.5218 -4.5218 -4.5086 -4.5086 -4.4844 -4.4844 -4.4666 -4.4666 -4.4385 -4.4385 -4.4296 -4.4296 -0.1237 -0.1237 -0.1166 -0.1166 2.4188 2.4188 2.6389 2.6389 3.1240 3.1240 3.4797 3.4797 3.9216 3.9216 4.0317 4.0317 8.0766 8.0766 8.3088 8.3088 9.2064 9.2064 9.2066 9.2066 k = 0.0938 0.2651 0.6538 ( 5334 PWs) bands (ev): -6.9323 -6.9323 -6.8930 -6.8930 -6.6781 -6.6781 -6.6677 -6.6677 -6.5358 -6.5358 -6.4695 -6.4695 -4.5224 -4.5224 -4.5083 -4.5083 -4.4847 -4.4847 -4.4692 -4.4692 -4.4414 -4.4414 -4.4327 -4.4327 -0.1475 -0.1475 -0.1412 -0.1412 2.4396 2.4396 2.6387 2.6387 3.1913 3.1913 3.5237 3.5237 3.9994 3.9994 4.1076 4.1076 8.0184 8.0184 8.2230 8.2230 9.1323 9.1323 9.1511 9.1511 k = 0.0865 0.2447 0.6538 ( 5338 PWs) bands (ev): -6.9277 -6.9277 -6.8894 -6.8894 -6.6781 -6.6781 -6.6675 -6.6675 -6.5434 -6.5434 -6.4790 -6.4790 -4.5230 -4.5230 -4.5081 -4.5081 -4.4850 -4.4850 -4.4720 -4.4720 -4.4440 -4.4440 -4.4356 -4.4356 -0.1700 -0.1700 -0.1644 -0.1644 2.4577 2.4577 2.6363 2.6363 3.2592 3.2592 3.5664 3.5664 4.0804 4.0804 4.1849 4.1849 7.9548 7.9548 8.1337 8.1337 9.0622 9.0622 9.0944 9.0944 k = 0.0793 0.2243 0.6538 ( 5334 PWs) bands (ev): -6.9229 -6.9229 -6.8859 -6.8859 -6.6780 -6.6780 -6.6674 -6.6674 -6.5505 -6.5505 -6.4885 -6.4885 -4.5234 -4.5234 -4.5080 -4.5080 -4.4853 -4.4853 -4.4748 -4.4748 -4.4461 -4.4461 -4.4384 -4.4384 -0.1910 -0.1910 -0.1860 -0.1860 2.4734 2.4734 2.6321 2.6321 3.3269 3.3269 3.6082 3.6082 4.1629 4.1629 4.2624 4.2624 7.8872 7.8872 8.0425 8.0425 8.9968 8.9968 9.0376 9.0376 k = 0.0721 0.2039 0.6538 ( 5322 PWs) bands (ev): -6.9180 -6.9180 -6.8827 -6.8827 -6.6779 -6.6779 -6.6673 -6.6673 -6.5571 -6.5571 -6.4979 -6.4979 -4.5237 -4.5237 -4.5079 -4.5079 -4.4855 -4.4855 -4.4776 -4.4776 -4.4480 -4.4480 -4.4410 -4.4410 -0.2104 -0.2104 -0.2061 -0.2061 2.4868 2.4868 2.6267 2.6267 3.3937 3.3937 3.6491 3.6491 4.2452 4.2452 4.3388 4.3388 7.8169 7.8169 7.9509 7.9509 8.9362 8.9362 8.9816 8.9816 k = 0.0649 0.1835 0.6538 ( 5326 PWs) bands (ev): -6.9132 -6.9132 -6.8798 -6.8798 -6.6778 -6.6778 -6.6673 -6.6673 -6.5629 -6.5629 -6.5071 -6.5071 -4.5239 -4.5239 -4.5081 -4.5081 -4.4858 -4.4858 -4.4802 -4.4802 -4.4496 -4.4496 -4.4433 -4.4433 -0.2282 -0.2282 -0.2244 -0.2244 2.4983 2.4983 2.6204 2.6204 3.4591 3.4591 3.6887 3.6887 4.3258 4.3258 4.4129 4.4129 7.7457 7.7457 7.8605 7.8605 8.8806 8.8806 8.9275 8.9275 k = 0.0577 0.1631 0.6538 ( 5328 PWs) bands (ev): -6.9083 -6.9083 -6.8773 -6.8773 -6.6776 -6.6776 -6.6675 -6.6675 -6.5680 -6.5680 -6.5160 -6.5160 -4.5239 -4.5239 -4.5084 -4.5084 -4.4861 -4.4861 -4.4826 -4.4826 -4.4510 -4.4510 -4.4455 -4.4455 -0.2443 -0.2443 -0.2410 -0.2410 2.5081 2.5081 2.6136 2.6136 3.5223 3.5223 3.7262 3.7262 4.4036 4.4036 4.4835 4.4835 7.6753 7.6753 7.7727 7.7727 8.8302 8.8302 8.8761 8.8761 k = 0.0505 0.1427 0.6538 ( 5308 PWs) bands (ev): -6.9035 -6.9035 -6.8752 -6.8752 -6.6773 -6.6773 -6.6677 -6.6677 -6.5721 -6.5721 -6.5247 -6.5247 -4.5238 -4.5238 -4.5090 -4.5090 -4.4864 -4.4864 -4.4846 -4.4846 -4.4521 -4.4521 -4.4474 -4.4474 -0.2586 -0.2586 -0.2557 -0.2557 2.5166 2.5166 2.6064 2.6064 3.5823 3.5823 3.7609 3.7609 4.4772 4.4772 4.5493 4.5493 7.6075 7.6075 7.6893 7.6893 8.7851 8.7851 8.8281 8.8281 k = 0.0433 0.1223 0.6538 ( 5300 PWs) bands (ev): -6.8988 -6.8988 -6.8736 -6.8736 -6.6769 -6.6769 -6.6681 -6.6681 -6.5752 -6.5752 -6.5330 -6.5330 -4.5236 -4.5236 -4.5099 -4.5099 -4.4868 -4.4868 -4.4863 -4.4863 -4.4530 -4.4530 -4.4492 -4.4492 -0.2710 -0.2710 -0.2686 -0.2686 2.5241 2.5241 2.5992 2.5992 3.6385 3.6385 3.7919 3.7919 4.5454 4.5454 4.6091 4.6091 7.5443 7.5443 7.6118 7.6118 8.7455 8.7455 8.7843 8.7843 k = 0.0361 0.1020 0.6538 ( 5312 PWs) bands (ev): -6.8943 -6.8943 -6.8726 -6.8726 -6.6765 -6.6765 -6.6687 -6.6687 -6.5773 -6.5773 -6.5408 -6.5408 -4.5231 -4.5231 -4.5110 -4.5110 -4.4875 -4.4875 -4.4871 -4.4871 -4.4538 -4.4538 -4.4507 -4.4507 -0.2816 -0.2816 -0.2796 -0.2796 2.5307 2.5307 2.5921 2.5921 3.6899 3.6899 3.8181 3.8181 4.6070 4.6070 4.6616 4.6616 7.4874 7.4874 7.5420 7.5420 8.7117 8.7117 8.7453 8.7453 k = 0.0288 0.0816 0.6538 ( 5316 PWs) bands (ev): -6.8900 -6.8900 -6.8722 -6.8722 -6.6760 -6.6760 -6.6694 -6.6694 -6.5782 -6.5782 -6.5482 -6.5482 -4.5225 -4.5225 -4.5123 -4.5123 -4.4883 -4.4883 -4.4875 -4.4875 -4.4543 -4.4543 -4.4520 -4.4520 -0.2903 -0.2903 -0.2887 -0.2887 2.5368 2.5368 2.5851 2.5851 3.7358 3.7358 3.8386 3.8386 4.6608 4.6608 4.7055 4.7055 7.4388 7.4388 7.4812 7.4812 8.6841 8.6841 8.7117 8.7117 k = 0.0216 0.0612 0.6538 ( 5306 PWs) bands (ev): -6.8860 -6.8860 -6.8724 -6.8724 -6.6754 -6.6754 -6.6702 -6.6702 -6.5779 -6.5779 -6.5549 -6.5549 -4.5217 -4.5217 -4.5138 -4.5138 -4.4887 -4.4887 -4.4878 -4.4878 -4.4547 -4.4547 -4.4530 -4.4530 -0.2970 -0.2970 -0.2958 -0.2958 2.5426 2.5426 2.5783 2.5783 3.7753 3.7753 3.8526 3.8526 4.7055 4.7055 4.7398 4.7398 7.4000 7.4000 7.4311 7.4311 8.6630 8.6630 8.6841 8.6841 k = 0.0144 0.0408 0.6538 ( 5302 PWs) bands (ev): -6.8825 -6.8825 -6.8732 -6.8732 -6.6747 -6.6747 -6.6711 -6.6711 -6.5766 -6.5766 -6.5609 -6.5609 -4.5207 -4.5207 -4.5153 -4.5153 -4.4889 -4.4889 -4.4882 -4.4882 -4.4549 -4.4549 -4.4538 -4.4538 -0.3017 -0.3017 -0.3010 -0.3010 2.5483 2.5483 2.5718 2.5718 3.8077 3.8077 3.8595 3.8595 4.7402 4.7402 4.7633 4.7633 7.3725 7.3725 7.3929 7.3929 8.6488 8.6488 8.6629 8.6629 k = 0.0072 0.0204 0.6538 ( 5286 PWs) bands (ev): -6.8793 -6.8793 -6.8746 -6.8746 -6.6738 -6.6738 -6.6720 -6.6720 -6.5741 -6.5741 -6.5662 -6.5662 -4.5196 -4.5196 -4.5168 -4.5168 -4.4889 -4.4889 -4.4885 -4.4885 -4.4549 -4.4549 -4.4544 -4.4544 -0.3045 -0.3045 -0.3041 -0.3041 2.5539 2.5539 2.5656 2.5656 3.8327 3.8327 3.8586 3.8586 4.7637 4.7637 4.7754 4.7754 7.3574 7.3574 7.3676 7.3676 8.6415 8.6415 8.6486 8.6486 k = 0.0000 0.0000 0.6538 ( 5294 PWs) bands (ev): -6.8767 -6.8767 -6.8767 -6.8767 -6.6730 -6.6730 -6.6730 -6.6730 -6.5706 -6.5706 -6.5706 -6.5706 -4.5183 -4.5183 -4.5183 -4.5183 -4.4887 -4.4887 -4.4887 -4.4887 -4.4548 -4.4548 -4.4548 -4.4548 -0.3053 -0.3053 -0.3053 -0.3053 2.5596 2.5596 2.5596 2.5596 3.8497 3.8497 3.8497 3.8497 4.7756 4.7756 4.7756 4.7756 7.3557 7.3557 7.3557 7.3557 8.6415 8.6415 8.6415 8.6415 k = 0.0000 0.0000 0.6538 ( 5294 PWs) bands (ev): -6.8767 -6.8767 -6.8767 -6.8767 -6.6730 -6.6730 -6.6730 -6.6730 -6.5706 -6.5706 -6.5706 -6.5706 -4.5183 -4.5183 -4.5183 -4.5183 -4.4887 -4.4887 -4.4887 -4.4887 -4.4548 -4.4548 -4.4548 -4.4548 -0.3053 -0.3053 -0.3053 -0.3053 2.5596 2.5596 2.5596 2.5596 3.8497 3.8497 3.8497 3.8497 4.7756 4.7756 4.7756 4.7756 7.3557 7.3557 7.3557 7.3557 8.6415 8.6415 8.6415 8.6415 k = 0.0000 0.0000 0.6320 ( 5298 PWs) bands (ev): -6.8785 -6.8785 -6.8757 -6.8757 -6.6731 -6.6731 -6.6729 -6.6729 -6.5828 -6.5828 -6.5581 -6.5581 -4.5195 -4.5195 -4.5170 -4.5170 -4.4902 -4.4902 -4.4873 -4.4873 -4.4560 -4.4560 -4.4533 -4.4533 -0.3049 -0.3049 -0.3024 -0.3024 2.5162 2.5162 2.6026 2.6026 3.8378 3.8378 3.8592 3.8592 4.7591 4.7591 4.7833 4.7833 7.3351 7.3351 7.3862 7.3862 8.6408 8.6408 8.6498 8.6498 k = 0.0000 0.0000 0.6102 ( 5296 PWs) bands (ev): -6.8810 -6.8810 -6.8755 -6.8755 -6.6731 -6.6731 -6.6728 -6.6728 -6.5944 -6.5944 -6.5454 -6.5454 -4.5207 -4.5207 -4.5158 -4.5158 -4.4916 -4.4916 -4.4859 -4.4859 -4.4570 -4.4570 -4.4515 -4.4515 -0.3009 -0.3009 -0.2961 -0.2961 2.4726 2.4726 2.6448 2.6448 3.8236 3.8236 3.8666 3.8666 4.7342 4.7342 4.7824 4.7824 7.3248 7.3248 7.4260 7.4260 8.6477 8.6477 8.6657 8.6657 k = 0.0000 0.0000 0.5885 ( 5294 PWs) bands (ev): -6.8844 -6.8844 -6.8760 -6.8760 -6.6732 -6.6732 -6.6728 -6.6728 -6.6055 -6.6055 -6.5326 -6.5326 -4.5218 -4.5218 -4.5145 -4.5145 -4.4930 -4.4930 -4.4846 -4.4846 -4.4578 -4.4578 -4.4494 -4.4494 -0.2934 -0.2934 -0.2865 -0.2865 2.4290 2.4290 2.6858 2.6858 3.8069 3.8069 3.8720 3.8720 4.7010 4.7010 4.7732 4.7732 7.3249 7.3249 7.4744 7.4744 8.6623 8.6623 8.6890 8.6890 k = 0.0000 0.0000 0.5667 ( 5300 PWs) bands (ev): -6.8886 -6.8886 -6.8771 -6.8771 -6.6733 -6.6733 -6.6727 -6.6727 -6.6158 -6.6158 -6.5198 -6.5198 -4.5229 -4.5229 -4.5133 -4.5133 -4.4942 -4.4942 -4.4833 -4.4833 -4.4584 -4.4584 -4.4471 -4.4471 -0.2823 -0.2823 -0.2738 -0.2738 2.3856 2.3856 2.7255 2.7255 3.7875 3.7875 3.8757 3.8757 4.6604 4.6604 4.7564 4.7564 7.3350 7.3350 7.5305 7.5305 8.6844 8.6844 8.7195 8.7195 k = 0.0000 0.0000 0.5449 ( 5303 PWs) bands (ev): -6.8937 -6.8937 -6.8788 -6.8788 -6.6734 -6.6734 -6.6727 -6.6727 -6.6254 -6.6254 -6.5071 -6.5071 -4.5240 -4.5240 -4.5122 -4.5122 -4.4954 -4.4954 -4.4821 -4.4821 -4.4588 -4.4588 -4.4444 -4.4444 -0.2675 -0.2675 -0.2581 -0.2581 2.3428 2.3428 2.7633 2.7633 3.7654 3.7654 3.8777 3.8777 4.6131 4.6131 4.7327 4.7327 7.3549 7.3549 7.5933 7.5933 8.7139 8.7139 8.7572 8.7572 k = 0.0000 0.0000 0.5231 ( 5299 PWs) bands (ev): -6.8998 -6.8998 -6.8811 -6.8811 -6.6734 -6.6734 -6.6727 -6.6727 -6.6339 -6.6339 -6.4946 -6.4946 -4.5249 -4.5249 -4.5112 -4.5112 -4.4964 -4.4964 -4.4810 -4.4810 -4.4591 -4.4591 -4.4414 -4.4414 -0.2493 -0.2493 -0.2394 -0.2394 2.3006 2.3006 2.7989 2.7989 3.7404 3.7404 3.8785 3.8785 4.5602 4.5602 4.7029 4.7029 7.3839 7.3839 7.6619 7.6619 8.7503 8.7503 8.8019 8.8019 k = 0.0000 0.0000 0.5013 ( 5305 PWs) bands (ev): -6.9067 -6.9067 -6.8838 -6.8838 -6.6735 -6.6735 -6.6727 -6.6727 -6.6416 -6.6416 -6.4823 -6.4823 -4.5259 -4.5259 -4.5104 -4.5104 -4.4972 -4.4972 -4.4799 -4.4799 -4.4593 -4.4593 -4.4382 -4.4382 -0.2275 -0.2275 -0.2179 -0.2179 2.2593 2.2593 2.8319 2.8319 3.7124 3.7124 3.8780 3.8780 4.5029 4.5029 4.6678 4.6678 7.4214 7.4214 7.7351 7.7351 8.7932 8.7932 8.8534 8.8534 k = 0.0000 0.0000 0.4795 ( 5305 PWs) bands (ev): -6.9144 -6.9144 -6.8869 -6.8869 -6.6736 -6.6736 -6.6728 -6.6728 -6.6481 -6.6481 -6.4704 -6.4704 -4.5267 -4.5267 -4.5097 -4.5097 -4.4977 -4.4977 -4.4788 -4.4788 -4.4593 -4.4593 -4.4348 -4.4348 -0.2026 -0.2026 -0.1934 -0.1934 2.2191 2.2191 2.8618 2.8618 3.6812 3.6812 3.8766 3.8766 4.4427 4.4427 4.6285 4.6285 7.4666 7.4666 7.8121 7.8121 8.8421 8.8421 8.9115 8.9115 k = 0.0000 0.0000 0.4577 ( 5291 PWs) bands (ev): -6.9230 -6.9230 -6.8903 -6.8903 -6.6738 -6.6738 -6.6729 -6.6729 -6.6536 -6.6536 -6.4589 -6.4589 -4.5275 -4.5275 -4.5093 -4.5093 -4.4980 -4.4980 -4.4778 -4.4778 -4.4593 -4.4593 -4.4311 -4.4311 -0.1752 -0.1752 -0.1656 -0.1656 2.1801 2.1801 2.8883 2.8883 3.6464 3.6464 3.8743 3.8743 4.3811 4.3811 4.5857 4.5857 7.5187 7.5187 7.8920 7.8920 8.8961 8.8961 8.9763 8.9763 k = 0.0000 0.0000 0.4359 ( 5305 PWs) bands (ev): -6.9323 -6.9323 -6.8939 -6.8939 -6.6742 -6.6742 -6.6731 -6.6731 -6.6581 -6.6581 -6.4478 -6.4478 -4.5282 -4.5282 -4.5091 -4.5091 -4.4980 -4.4980 -4.4768 -4.4768 -4.4593 -4.4593 -4.4274 -4.4274 -0.1460 -0.1460 -0.1339 -0.1339 2.1424 2.1424 2.9107 2.9107 3.6077 3.6077 3.8710 3.8710 4.3199 4.3199 4.5403 4.5403 7.5769 7.5769 7.9738 7.9738 8.9543 8.9543 9.0475 9.0475 k = 0.0000 0.0000 0.4141 ( 5297 PWs) bands (ev): -6.9421 -6.9421 -6.8976 -6.8976 -6.6749 -6.6749 -6.6732 -6.6732 -6.6615 -6.6615 -6.4372 -6.4372 -4.5288 -4.5288 -4.5091 -4.5091 -4.4978 -4.4978 -4.4758 -4.4758 -4.4592 -4.4592 -4.4235 -4.4235 -0.1156 -0.1156 -0.0981 -0.0981 2.1062 2.1062 2.9287 2.9287 3.5650 3.5650 3.8665 3.8665 4.2611 4.2611 4.4931 4.4931 7.6404 7.6404 8.0567 8.0567 9.0156 9.0156 9.1250 9.1250 k = 0.0000 0.0000 0.3923 ( 5305 PWs) bands (ev): -6.9524 -6.9524 -6.9015 -6.9015 -6.6760 -6.6760 -6.6732 -6.6732 -6.6638 -6.6638 -6.4271 -6.4271 -4.5294 -4.5294 -4.5093 -4.5093 -4.4975 -4.4975 -4.4748 -4.4748 -4.4590 -4.4590 -4.4196 -4.4196 -0.0841 -0.0841 -0.0586 -0.0586 2.0716 2.0716 2.9418 2.9418 3.5178 3.5178 3.8602 3.8602 4.2068 4.2068 4.4448 4.4448 7.7087 7.7087 8.1400 8.1400 9.0786 9.0786 9.2086 9.2086 k = 0.0000 0.0000 0.3705 ( 5315 PWs) bands (ev): -6.9630 -6.9630 -6.9055 -6.9055 -6.6773 -6.6773 -6.6733 -6.6733 -6.6653 -6.6653 -6.4175 -6.4175 -4.5299 -4.5299 -4.5095 -4.5095 -4.4971 -4.4971 -4.4738 -4.4738 -4.4589 -4.4589 -4.4156 -4.4156 -0.0514 -0.0514 -0.0155 -0.0155 2.0387 2.0387 2.9496 2.9496 3.4663 3.4663 3.8513 3.8513 4.1591 4.1591 4.3961 4.3961 7.7809 7.7809 8.2230 8.2230 9.1418 9.1418 9.2978 9.2978 k = 0.0000 0.0000 0.3487 ( 5315 PWs) bands (ev): -6.9737 -6.9737 -6.9094 -6.9094 -6.6786 -6.6786 -6.6733 -6.6733 -6.6662 -6.6662 -6.4084 -6.4084 -4.5304 -4.5304 -4.5098 -4.5098 -4.4966 -4.4966 -4.4728 -4.4728 -4.4586 -4.4586 -4.4116 -4.4116 -0.0180 -0.0180 0.0307 0.0307 2.0077 2.0077 2.9515 2.9515 3.4108 3.4108 3.8388 3.8388 4.1200 4.1200 4.3478 4.3478 7.8566 7.8566 8.3048 8.3048 9.2035 9.2035 9.3919 9.3919 k = 0.0000 0.0000 0.3269 ( 5321 PWs) bands (ev): -6.9845 -6.9845 -6.9133 -6.9133 -6.6799 -6.6799 -6.6733 -6.6733 -6.6667 -6.6667 -6.3999 -6.3999 -4.5308 -4.5308 -4.5100 -4.5100 -4.4961 -4.4961 -4.4717 -4.4717 -4.4584 -4.4584 -4.4077 -4.4077 0.0161 0.0161 0.0799 0.0799 1.9785 1.9785 2.9467 2.9467 3.3522 3.3522 3.8222 3.8222 4.0903 4.0903 4.3006 4.3006 7.9349 7.9349 8.3847 8.3847 9.2617 9.2617 9.4901 9.4901 k = 0.0000 0.0000 0.3051 ( 5325 PWs) bands (ev): -6.9951 -6.9951 -6.9172 -6.9172 -6.6810 -6.6810 -6.6733 -6.6733 -6.6670 -6.6670 -6.3920 -6.3920 -4.5312 -4.5312 -4.5103 -4.5103 -4.4956 -4.4956 -4.4706 -4.4706 -4.4582 -4.4582 -4.4039 -4.4039 0.0505 0.0505 0.1319 0.1319 1.9513 1.9513 2.9344 2.9344 3.2922 3.2922 3.8019 3.8019 4.0697 4.0697 4.2553 4.2553 8.0155 8.0155 8.4619 8.4619 9.3143 9.3143 9.5911 9.5911 k = 0.0000 0.0000 0.2833 ( 5319 PWs) bands (ev): -7.0055 -7.0055 -6.9209 -6.9209 -6.6819 -6.6819 -6.6732 -6.6732 -6.6672 -6.6672 -6.3846 -6.3846 -4.5316 -4.5316 -4.5105 -4.5105 -4.4952 -4.4952 -4.4696 -4.4696 -4.4580 -4.4580 -4.4001 -4.4001 0.0848 0.0848 0.1863 0.1863 1.9261 1.9261 2.9132 2.9132 3.2333 3.2333 3.7789 3.7789 4.0559 4.0559 4.2133 4.2133 8.0976 8.0976 8.5355 8.5355 9.3597 9.3597 9.6927 9.6927 k = 0.0000 0.0000 0.2615 ( 5315 PWs) bands (ev): -7.0155 -7.0155 -6.9245 -6.9245 -6.6826 -6.6826 -6.6732 -6.6732 -6.6673 -6.6673 -6.3778 -6.3778 -4.5319 -4.5319 -4.5107 -4.5107 -4.4948 -4.4948 -4.4685 -4.4685 -4.4578 -4.4578 -4.3965 -4.3965 0.1188 0.1188 0.2428 0.2428 1.9028 1.9028 2.8817 2.8817 3.1782 3.1782 3.7549 3.7549 4.0455 4.0455 4.1763 4.1763 8.1805 8.1805 8.6047 8.6047 9.3972 9.3972 9.7919 9.7919 k = 0.0000 0.0000 0.2397 ( 5331 PWs) bands (ev): -7.0251 -7.0251 -6.9279 -6.9279 -6.6832 -6.6832 -6.6732 -6.6732 -6.6673 -6.6673 -6.3716 -6.3716 -4.5322 -4.5322 -4.5109 -4.5109 -4.4945 -4.4945 -4.4675 -4.4675 -4.4576 -4.4576 -4.3931 -4.3931 0.1519 0.1519 0.3010 0.3010 1.8815 1.8815 2.8390 2.8390 3.1297 3.1297 3.7311 3.7311 4.0342 4.0342 4.1472 4.1472 8.2637 8.2637 8.6685 8.6685 9.4276 9.4276 9.8842 9.8842 k = 0.0000 0.0000 0.2179 ( 5327 PWs) bands (ev): -7.0341 -7.0341 -6.9311 -6.9311 -6.6837 -6.6837 -6.6731 -6.6731 -6.6673 -6.6673 -6.3659 -6.3659 -4.5325 -4.5325 -4.5110 -4.5110 -4.4942 -4.4942 -4.4664 -4.4664 -4.4575 -4.4575 -4.3899 -4.3899 0.1839 0.1839 0.3603 0.3603 1.8622 1.8622 2.7860 2.7860 3.0886 3.0886 3.7084 3.7084 4.0178 4.0178 4.1290 4.1290 8.3463 8.3463 8.7261 8.7261 9.4527 9.4527 9.9657 9.9657 k = 0.0000 0.0000 0.1962 ( 5327 PWs) bands (ev): -7.0425 -7.0425 -6.9341 -6.9341 -6.6840 -6.6840 -6.6731 -6.6731 -6.6673 -6.6673 -6.3608 -6.3608 -4.5327 -4.5327 -4.5111 -4.5111 -4.4940 -4.4940 -4.4654 -4.4654 -4.4574 -4.4574 -4.3869 -4.3869 0.2143 0.2143 0.4202 0.4202 1.8446 1.8446 2.7252 2.7252 3.0542 3.0542 3.6873 3.6873 3.9956 3.9956 4.1215 4.1215 8.4274 8.4274 8.7768 8.7768 9.4747 9.4747 10.0351 10.0351 k = 0.0000 0.0000 0.1744 ( 5331 PWs) bands (ev): -7.0502 -7.0502 -6.9369 -6.9369 -6.6842 -6.6842 -6.6731 -6.6731 -6.6673 -6.6673 -6.3563 -6.3563 -4.5329 -4.5329 -4.5111 -4.5111 -4.4938 -4.4938 -4.4644 -4.4644 -4.4573 -4.4573 -4.3842 -4.3842 0.2428 0.2428 0.4798 0.4798 1.8287 1.8287 2.6601 2.6601 3.0251 3.0251 3.6682 3.6682 3.9704 3.9704 4.1211 4.1211 8.5060 8.5060 8.8204 8.8204 9.4953 9.4953 10.0912 10.0912 k = 0.0000 0.0000 0.1526 ( 5333 PWs) bands (ev): -7.0571 -7.0571 -6.9394 -6.9394 -6.6844 -6.6844 -6.6730 -6.6730 -6.6672 -6.6672 -6.3523 -6.3523 -4.5331 -4.5331 -4.5111 -4.5111 -4.4937 -4.4937 -4.4635 -4.4635 -4.4573 -4.4573 -4.3818 -4.3818 0.2689 0.2689 0.5383 0.5383 1.8142 1.8142 2.5942 2.5942 3.0000 3.0000 3.6512 3.6512 3.9454 3.9454 4.1244 4.1244 8.5805 8.5805 8.8572 8.8572 9.5155 9.5155 10.1299 10.1299 k = 0.0000 0.0000 0.1308 ( 5337 PWs) bands (ev): -7.0632 -7.0632 -6.9416 -6.9416 -6.6845 -6.6845 -6.6730 -6.6730 -6.6672 -6.6672 -6.3489 -6.3489 -4.5332 -4.5332 -4.5112 -4.5112 -4.4935 -4.4935 -4.4626 -4.4626 -4.4573 -4.4573 -4.3796 -4.3796 0.2924 0.2924 0.5945 0.5945 1.8012 1.8012 2.5304 2.5304 2.9781 2.9781 3.6364 3.6364 3.9222 3.9222 4.1294 4.1294 8.6494 8.6494 8.8879 8.8879 9.5355 9.5355 10.1463 10.1463 k = 0.0000 0.0000 0.1090 ( 5345 PWs) bands (ev): -7.0685 -7.0685 -6.9434 -6.9434 -6.6846 -6.6846 -6.6730 -6.6730 -6.6671 -6.6671 -6.3460 -6.3460 -4.5334 -4.5334 -4.5112 -4.5112 -4.4934 -4.4934 -4.4618 -4.4618 -4.4574 -4.4574 -4.3778 -4.3778 0.3129 0.3129 0.6469 0.6469 1.7893 1.7893 2.4713 2.4713 2.9592 2.9592 3.6238 3.6238 3.9017 3.9017 4.1349 4.1349 8.7104 8.7104 8.9141 8.9141 9.5546 9.5546 10.1427 10.1427 k = 0.0000 0.0000 0.0872 ( 5331 PWs) bands (ev): -7.0728 -7.0728 -6.9450 -6.9450 -6.6847 -6.6847 -6.6730 -6.6730 -6.6671 -6.6671 -6.3436 -6.3436 -4.5335 -4.5335 -4.5111 -4.5111 -4.4934 -4.4934 -4.4611 -4.4611 -4.4575 -4.4575 -4.3762 -4.3762 0.3301 0.3301 0.6939 0.6939 1.7786 1.7786 2.4193 2.4193 2.9434 2.9434 3.6135 3.6135 3.8846 3.8846 4.1400 4.1400 8.7612 8.7612 8.9374 8.9374 9.5718 9.5718 10.1280 10.1280 k = 0.0000 0.0000 0.0654 ( 5325 PWs) bands (ev): -7.0762 -7.0762 -6.9462 -6.9462 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3417 -6.3417 -4.5335 -4.5335 -4.5111 -4.5111 -4.4933 -4.4933 -4.4604 -4.4604 -4.4577 -4.4577 -4.3750 -4.3750 0.3437 0.3437 0.7336 0.7336 1.7695 1.7695 2.3764 2.3764 2.9306 2.9306 3.6055 3.6055 3.8710 3.8710 4.1444 4.1444 8.7997 8.7997 8.9587 8.9587 9.5861 9.5861 10.1102 10.1102 k = 0.0000 0.0000 0.0436 ( 5321 PWs) bands (ev): -7.0787 -7.0787 -6.9471 -6.9471 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3404 -6.3404 -4.5336 -4.5336 -4.5111 -4.5111 -4.4933 -4.4933 -4.4597 -4.4597 -4.4579 -4.4579 -4.3741 -4.3741 0.3536 0.3536 0.7639 0.7639 1.7622 1.7622 2.3444 2.3444 2.9213 2.9213 3.5998 3.5998 3.8612 3.8612 4.1477 4.1477 8.8254 8.8254 8.9772 8.9772 9.5967 9.5967 10.0946 10.0946 k = 0.0000 0.0000 0.0218 ( 5327 PWs) bands (ev): -7.0801 -7.0801 -6.9476 -6.9476 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3396 -6.3396 -4.5336 -4.5336 -4.5111 -4.5111 -4.4933 -4.4933 -4.4592 -4.4592 -4.4583 -4.4583 -4.3736 -4.3736 0.3596 0.3596 0.7830 0.7830 1.7575 1.7575 2.3246 2.3246 2.9156 2.9156 3.5963 3.5963 3.8553 3.8553 4.1497 4.1497 8.8396 8.8396 8.9902 8.9902 9.6031 9.6031 10.0841 10.0841 k = 0.0000 0.0000 0.0000 ( 5307 PWs) bands (ev): -7.0806 -7.0806 -6.9478 -6.9478 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3394 -6.3394 -4.5336 -4.5336 -4.5111 -4.5111 -4.4932 -4.4932 -4.4588 -4.4588 -4.4586 -4.4586 -4.3734 -4.3734 0.3616 0.3616 0.7895 0.7895 1.7558 1.7558 2.3179 2.3179 2.9137 2.9137 3.5952 3.5952 3.8533 3.8533 4.1504 4.1504 8.8442 8.8442 8.9949 8.9949 9.6052 9.6052 10.0805 10.0805 k = 0.0000 0.0000 0.0000 ( 5307 PWs) bands (ev): -7.0806 -7.0806 -6.9478 -6.9478 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3394 -6.3394 -4.5336 -4.5336 -4.5111 -4.5111 -4.4932 -4.4932 -4.4588 -4.4588 -4.4586 -4.4586 -4.3734 -4.3734 0.3616 0.3616 0.7895 0.7895 1.7558 1.7558 2.3179 2.3179 2.9137 2.9137 3.5952 3.5952 3.8533 3.8533 4.1504 4.1504 8.8442 8.8442 8.9949 8.9949 9.6052 9.6052 10.0805 10.0805 k =-0.0200 0.0071-0.0000 ( 5321 PWs) bands (ev): -7.0802 -7.0802 -6.9477 -6.9477 -6.6847 -6.6847 -6.6729 -6.6729 -6.6670 -6.6670 -6.3399 -6.3399 -4.5336 -4.5336 -4.5111 -4.5111 -4.4932 -4.4932 -4.4602 -4.4602 -4.4572 -4.4572 -4.3736 -4.3736 0.3553 0.3553 0.7905 0.7905 1.7628 1.7628 2.3196 2.3196 2.9135 2.9135 3.5939 3.5939 3.8539 3.8539 4.1520 4.1520 8.8370 8.8370 8.9973 8.9973 9.6025 9.6025 10.0826 10.0826 k =-0.0400 0.0141-0.0000 ( 5322 PWs) bands (ev): -7.0790 -7.0790 -6.9474 -6.9474 -6.6845 -6.6845 -6.6729 -6.6729 -6.6670 -6.6670 -6.3413 -6.3413 -4.5335 -4.5335 -4.5111 -4.5111 -4.4932 -4.4932 -4.4618 -4.4618 -4.4559 -4.4559 -4.3743 -4.3743 0.3370 0.3370 0.7928 0.7928 1.7835 1.7835 2.3250 2.3250 2.9129 2.9129 3.5903 3.5903 3.8555 3.8555 4.1568 4.1568 8.8171 8.8171 9.0028 9.0028 9.5948 9.5948 10.0881 10.0881 k =-0.0600 0.0212-0.0000 ( 5318 PWs) bands (ev): -7.0770 -7.0770 -6.9469 -6.9469 -6.6843 -6.6843 -6.6729 -6.6729 -6.6669 -6.6669 -6.3438 -6.3438 -4.5333 -4.5333 -4.5111 -4.5111 -4.4932 -4.4932 -4.4635 -4.4635 -4.4546 -4.4546 -4.3753 -4.3753 0.3086 0.3086 0.7956 0.7956 1.8167 1.8167 2.3342 2.3342 2.9118 2.9118 3.5845 3.5845 3.8580 3.8580 4.1648 4.1648 8.7872 8.7872 9.0086 9.0086 9.5829 9.5829 10.0950 10.0950 k =-0.0800 0.0283-0.0000 ( 5316 PWs) bands (ev): -7.0742 -7.0742 -6.9461 -6.9461 -6.6840 -6.6840 -6.6728 -6.6728 -6.6669 -6.6669 -6.3472 -6.3472 -4.5330 -4.5330 -4.5111 -4.5111 -4.4932 -4.4932 -4.4652 -4.4652 -4.4533 -4.4533 -4.3767 -4.3767 0.2726 0.2726 0.7976 0.7976 1.8606 1.8606 2.3477 2.3477 2.9103 2.9103 3.5768 3.5768 3.8612 3.8612 4.1758 4.1758 8.7494 8.7494 9.0123 9.0123 9.5678 9.5678 10.1003 10.1003 k =-0.1000 0.0354-0.0000 ( 5324 PWs) bands (ev): -7.0707 -7.0707 -6.9451 -6.9451 -6.6835 -6.6835 -6.6728 -6.6728 -6.6668 -6.6668 -6.3516 -6.3516 -4.5326 -4.5326 -4.5111 -4.5111 -4.4931 -4.4931 -4.4669 -4.4669 -4.4522 -4.4522 -4.3786 -4.3786 0.2311 0.2311 0.7981 0.7981 1.9128 1.9128 2.3666 2.3666 2.9082 2.9082 3.5676 3.5676 3.8648 3.8648 4.1896 4.1896 8.7047 8.7047 9.0126 9.0126 9.5502 9.5502 10.1011 10.1011 k =-0.1200 0.0424-0.0000 ( 5342 PWs) bands (ev): -7.0665 -7.0665 -6.9440 -6.9440 -6.6830 -6.6830 -6.6728 -6.6728 -6.6667 -6.6667 -6.3568 -6.3568 -4.5322 -4.5322 -4.5111 -4.5111 -4.4931 -4.4931 -4.4686 -4.4686 -4.4512 -4.4512 -4.3808 -4.3808 0.1861 0.1861 0.7966 0.7966 1.9703 1.9703 2.3920 2.3920 2.9055 2.9055 3.5571 3.5571 3.8686 3.8686 4.2060 4.2060 8.6535 8.6535 9.0089 9.0089 9.5301 9.5301 10.0952 10.0952 k =-0.1400 0.0495-0.0000 ( 5330 PWs) bands (ev): -7.0617 -7.0617 -6.9426 -6.9426 -6.6823 -6.6823 -6.6727 -6.6727 -6.6666 -6.6666 -6.3630 -6.3630 -4.5316 -4.5316 -4.5111 -4.5111 -4.4931 -4.4931 -4.4704 -4.4704 -4.4503 -4.4503 -4.3832 -4.3832 0.1392 0.1392 0.7932 0.7932 2.0298 2.0298 2.4258 2.4258 2.9023 2.9023 3.5457 3.5457 3.8725 3.8725 4.2247 4.2247 8.5957 8.5957 9.0014 9.0014 9.5068 9.5068 10.0824 10.0824 k =-0.1600 0.0566-0.0000 ( 5330 PWs) bands (ev): -7.0564 -7.0564 -6.9409 -6.9409 -6.6816 -6.6816 -6.6727 -6.6727 -6.6664 -6.6664 -6.3700 -6.3700 -4.5311 -4.5311 -4.5110 -4.5110 -4.4931 -4.4931 -4.4722 -4.4722 -4.4495 -4.4495 -4.3860 -4.3860 0.0916 0.0916 0.7879 0.7879 2.0876 2.0876 2.4698 2.4698 2.8988 2.8988 3.5335 3.5335 3.8766 3.8766 4.2452 4.2452 8.5309 8.5309 8.9903 8.9903 9.4794 9.4794 10.0646 10.0646 k =-0.1800 0.0637-0.0000 ( 5314 PWs) bands (ev): -7.0506 -7.0506 -6.9390 -6.9390 -6.6806 -6.6806 -6.6726 -6.6726 -6.6662 -6.6662 -6.3779 -6.3779 -4.5304 -4.5304 -4.5110 -4.5110 -4.4931 -4.4931 -4.4739 -4.4739 -4.4488 -4.4488 -4.3889 -4.3889 0.0443 0.0443 0.7809 0.7809 2.1406 2.1406 2.5252 2.5252 2.8954 2.8954 3.5207 3.5207 3.8809 3.8809 4.2672 4.2672 8.4587 8.4587 8.9764 8.9764 9.4469 9.4469 10.0455 10.0455 k =-0.2000 0.0707-0.0000 ( 5322 PWs) bands (ev): -7.0444 -7.0444 -6.9369 -6.9369 -6.6796 -6.6796 -6.6725 -6.6725 -6.6658 -6.6658 -6.3865 -6.3865 -4.5296 -4.5296 -4.5109 -4.5109 -4.4931 -4.4931 -4.4756 -4.4756 -4.4483 -4.4483 -4.3921 -4.3921 -0.0020 -0.0020 0.7726 0.7726 2.1872 2.1872 2.5914 2.5914 2.8933 2.8933 3.5075 3.5075 3.8854 3.8854 4.2901 4.2901 8.3789 8.3789 8.9602 8.9602 9.4091 9.4091 10.0288 10.0288 k =-0.2200 0.0778-0.0000 ( 5320 PWs) bands (ev): -7.0380 -7.0380 -6.9345 -6.9345 -6.6785 -6.6785 -6.6725 -6.6725 -6.6653 -6.6653 -6.3958 -6.3958 -4.5288 -4.5288 -4.5108 -4.5108 -4.4932 -4.4932 -4.4773 -4.4773 -4.4478 -4.4478 -4.3954 -4.3954 -0.0467 -0.0467 0.7633 0.7633 2.2275 2.2275 2.6641 2.6641 2.8952 2.8952 3.4940 3.4940 3.8902 3.8902 4.3134 4.3134 8.2915 8.2915 8.9426 8.9426 9.3666 9.3666 10.0175 10.0175 k =-0.2400 0.0849-0.0000 ( 5320 PWs) bands (ev): -7.0315 -7.0315 -6.9319 -6.9319 -6.6773 -6.6773 -6.6724 -6.6724 -6.6646 -6.6646 -6.4058 -6.4058 -4.5280 -4.5280 -4.5107 -4.5107 -4.4934 -4.4934 -4.4789 -4.4789 -4.4475 -4.4475 -4.3987 -4.3987 -0.0894 -0.0894 0.7534 0.7534 2.2627 2.2627 2.7325 2.7325 2.9095 2.9095 3.4805 3.4805 3.8952 3.8952 4.3366 4.3366 8.1968 8.1968 8.9243 8.9243 9.3212 9.3212 10.0129 10.0129 k =-0.2600 0.0920-0.0000 ( 5314 PWs) bands (ev): -7.0250 -7.0250 -6.9289 -6.9289 -6.6761 -6.6761 -6.6723 -6.6723 -6.6636 -6.6636 -6.4163 -6.4163 -4.5271 -4.5271 -4.5105 -4.5105 -4.4936 -4.4936 -4.4805 -4.4805 -4.4473 -4.4473 -4.4021 -4.4021 -0.1297 -0.1297 0.7430 0.7430 2.2942 2.2942 2.7771 2.7771 2.9533 2.9533 3.4673 3.4673 3.9005 3.9005 4.3589 4.3589 8.0957 8.0957 8.9058 8.9058 9.2750 9.2750 10.0149 10.0149 k =-0.2800 0.0990-0.0000 ( 5318 PWs) bands (ev): -7.0186 -7.0186 -6.9257 -6.9257 -6.6750 -6.6750 -6.6722 -6.6722 -6.6622 -6.6622 -6.4274 -6.4274 -4.5261 -4.5261 -4.5103 -4.5103 -4.4939 -4.4939 -4.4819 -4.4819 -4.4472 -4.4472 -4.4054 -4.4054 -0.1674 -0.1674 0.7325 0.7325 2.3233 2.3233 2.7917 2.7917 3.0297 3.0297 3.4552 3.4552 3.9062 3.9062 4.3798 4.3798 7.9895 7.9895 8.8877 8.8877 9.2299 9.2299 10.0229 10.0229 k =-0.3000 0.1061-0.0000 ( 5314 PWs) bands (ev): -7.0126 -7.0126 -6.9223 -6.9223 -6.6740 -6.6740 -6.6721 -6.6721 -6.6602 -6.6602 -6.4388 -6.4388 -4.5251 -4.5251 -4.5101 -4.5101 -4.4943 -4.4943 -4.4832 -4.4832 -4.4473 -4.4473 -4.4085 -4.4085 -0.2023 -0.2023 0.7221 0.7221 2.3507 2.3507 2.7906 2.7906 3.1215 3.1215 3.4454 3.4454 3.9120 3.9120 4.3986 4.3986 7.8802 7.8802 8.8704 8.8704 9.1873 9.1873 10.0357 10.0357 k =-0.3200 0.1132-0.0000 ( 5314 PWs) bands (ev): -7.0069 -7.0069 -6.9186 -6.9186 -6.6733 -6.6733 -6.6719 -6.6719 -6.6576 -6.6576 -6.4505 -6.4505 -4.5240 -4.5240 -4.5099 -4.5099 -4.4949 -4.4949 -4.4843 -4.4843 -4.4474 -4.4474 -4.4115 -4.4115 -0.2342 -0.2342 0.7121 0.7121 2.3772 2.3772 2.7827 2.7827 3.2145 3.2145 3.4417 3.4417 3.9181 3.9181 4.4146 4.4146 7.7698 7.7698 8.8543 8.8543 9.1483 9.1483 10.0522 10.0522 k =-0.3400 0.1203-0.0000 ( 5312 PWs) bands (ev): -7.0017 -7.0017 -6.9148 -6.9148 -6.6727 -6.6727 -6.6718 -6.6718 -6.6544 -6.6544 -6.4624 -6.4624 -4.5229 -4.5229 -4.5096 -4.5096 -4.4957 -4.4957 -4.4852 -4.4852 -4.4477 -4.4477 -4.4143 -4.4143 -0.2630 -0.2630 0.7026 0.7026 2.4028 2.4028 2.7715 2.7715 3.2929 3.2929 3.4549 3.4549 3.9245 3.9245 4.4271 4.4271 7.6608 7.6608 8.8395 8.8395 9.1133 9.1133 10.0713 10.0713 k =-0.3600 0.1273-0.0000 ( 5308 PWs) bands (ev): -6.9971 -6.9971 -6.9110 -6.9110 -6.6724 -6.6724 -6.6716 -6.6716 -6.6505 -6.6505 -6.4742 -6.4742 -4.5218 -4.5218 -4.5093 -4.5093 -4.4966 -4.4966 -4.4859 -4.4859 -4.4481 -4.4481 -4.4167 -4.4167 -0.2886 -0.2886 0.6938 0.6938 2.4278 2.4278 2.7583 2.7583 3.3338 3.3338 3.5051 3.5051 3.9313 3.9313 4.4354 4.4354 7.5557 7.5557 8.8264 8.8264 9.0827 9.0827 10.0919 10.0919 k =-0.3800 0.1344-0.0000 ( 5300 PWs) bands (ev): -6.9932 -6.9932 -6.9072 -6.9072 -6.6722 -6.6722 -6.6715 -6.6715 -6.6462 -6.6462 -6.4857 -6.4857 -4.5207 -4.5207 -4.5091 -4.5091 -4.4976 -4.4976 -4.4865 -4.4865 -4.4486 -4.4486 -4.4189 -4.4189 -0.3108 -0.3108 0.6859 0.6859 2.4522 2.4522 2.7437 2.7437 3.3428 3.3428 3.5840 3.5840 3.9389 3.9389 4.4388 4.4388 7.4571 7.4571 8.8149 8.8149 9.0563 9.0563 10.1131 10.1131 k =-0.4000 0.1415-0.0000 ( 5296 PWs) bands (ev): -6.9898 -6.9898 -6.9037 -6.9037 -6.6720 -6.6720 -6.6713 -6.6713 -6.6415 -6.6415 -6.4968 -6.4968 -4.5196 -4.5196 -4.5088 -4.5088 -4.4987 -4.4987 -4.4869 -4.4869 -4.4491 -4.4491 -4.4207 -4.4207 -0.3297 -0.3297 0.6790 0.6790 2.4757 2.4757 2.7283 2.7283 3.3407 3.3407 3.6680 3.6680 3.9480 3.9480 4.4371 4.4371 7.3677 7.3677 8.8052 8.8052 9.0342 9.0342 10.1339 10.1339 k =-0.4200 0.1486-0.0000 ( 5300 PWs) bands (ev): -6.9871 -6.9871 -6.9006 -6.9006 -6.6719 -6.6719 -6.6712 -6.6712 -6.6367 -6.6367 -6.5071 -6.5071 -4.5185 -4.5185 -4.5086 -4.5086 -4.4998 -4.4998 -4.4872 -4.4872 -4.4496 -4.4496 -4.4221 -4.4221 -0.3453 -0.3453 0.6732 0.6732 2.4981 2.4981 2.7125 2.7125 3.3358 3.3358 3.7448 3.7448 3.9603 3.9603 4.4302 4.4302 7.2901 7.2901 8.7973 8.7973 9.0163 9.0163 10.1534 10.1534 k =-0.4400 0.1556-0.0000 ( 5312 PWs) bands (ev): -6.9851 -6.9851 -6.8979 -6.8979 -6.6719 -6.6719 -6.6712 -6.6712 -6.6320 -6.6320 -6.5162 -6.5162 -4.5176 -4.5176 -4.5084 -4.5084 -4.5008 -4.5008 -4.4874 -4.4874 -4.4501 -4.4501 -4.4232 -4.4232 -0.3574 -0.3574 0.6685 0.6685 2.5187 2.5187 2.6971 2.6971 3.3307 3.3307 3.8061 3.8061 3.9780 3.9780 4.4191 4.4191 7.2267 7.2267 8.7912 8.7912 9.0025 9.0025 10.1708 10.1708 k =-0.4600 0.1627-0.0000 ( 5312 PWs) bands (ev): -6.9836 -6.9836 -6.8960 -6.8960 -6.6718 -6.6718 -6.6711 -6.6711 -6.6279 -6.6279 -6.5234 -6.5234 -4.5168 -4.5168 -4.5083 -4.5083 -4.5016 -4.5016 -4.4876 -4.4876 -4.4505 -4.4505 -4.4240 -4.4240 -0.3660 -0.3660 0.6652 0.6652 2.5363 2.5363 2.6831 2.6831 3.3266 3.3266 3.8463 3.8463 4.0016 4.0016 4.4060 4.4060 7.1796 7.1796 8.7868 8.7868 8.9926 8.9926 10.1857 10.1857 k =-0.4800 0.1698-0.0000 ( 5312 PWs) bands (ev): -6.9827 -6.9827 -6.8948 -6.8948 -6.6718 -6.6718 -6.6711 -6.6711 -6.6251 -6.6251 -6.5281 -6.5281 -4.5162 -4.5162 -4.5082 -4.5082 -4.5021 -4.5021 -4.4876 -4.4876 -4.4507 -4.4507 -4.4245 -4.4245 -0.3712 -0.3712 0.6632 0.6632 2.5490 2.5490 2.6726 2.6726 3.3240 3.3240 3.8668 3.8668 4.0237 4.0237 4.3947 4.3947 7.1506 7.1506 8.7842 8.7842 8.9868 8.9868 10.1979 10.1979 k =-0.5000 0.1769-0.0000 ( 5292 PWs) bands (ev): -6.9824 -6.9824 -6.8943 -6.8943 -6.6718 -6.6718 -6.6711 -6.6711 -6.6241 -6.6241 -6.5298 -6.5298 -4.5160 -4.5160 -4.5082 -4.5082 -4.5023 -4.5023 -4.4877 -4.4877 -4.4508 -4.4508 -4.4246 -4.4246 -0.3730 -0.3730 0.6625 0.6625 2.5537 2.5537 2.6686 2.6686 3.3231 3.3231 3.8727 3.8727 4.0328 4.0328 4.3902 4.3902 7.1409 7.1409 8.7834 8.7834 8.9848 8.9848 10.2049 10.2049 k =-0.5000 0.1769-0.0000 ( 5292 PWs) bands (ev): -6.9824 -6.9824 -6.8943 -6.8943 -6.6718 -6.6718 -6.6711 -6.6711 -6.6241 -6.6241 -6.5298 -6.5298 -4.5160 -4.5160 -4.5082 -4.5082 -4.5023 -4.5023 -4.4877 -4.4877 -4.4508 -4.4508 -4.4246 -4.4246 -0.3730 -0.3730 0.6625 0.6625 2.5537 2.5537 2.6686 2.6686 3.3231 3.3231 3.8727 3.8727 4.0328 4.0328 4.3902 4.3902 7.1409 7.1409 8.7834 8.7834 8.9848 8.9848 10.2049 10.2049 k =-0.4929 0.1968-0.0000 ( 5296 PWs) bands (ev): -6.9822 -6.9822 -6.8939 -6.8939 -6.6718 -6.6718 -6.6710 -6.6710 -6.6242 -6.6242 -6.5297 -6.5297 -4.5161 -4.5161 -4.5081 -4.5081 -4.5023 -4.5023 -4.4876 -4.4876 -4.4509 -4.4509 -4.4246 -4.4246 -0.3741 -0.3741 0.6621 0.6621 2.5542 2.5542 2.6695 2.6695 3.3227 3.3227 3.8715 3.8715 4.0344 4.0344 4.3907 4.3907 7.1399 7.1399 8.7851 8.7851 8.9799 8.9799 10.1707 10.1707 k =-0.4859 0.2168-0.0000 ( 5294 PWs) bands (ev): -6.9815 -6.9815 -6.8927 -6.8927 -6.6718 -6.6718 -6.6710 -6.6710 -6.6243 -6.6243 -6.5297 -6.5297 -4.5165 -4.5165 -4.5080 -4.5080 -4.5023 -4.5023 -4.4875 -4.4875 -4.4510 -4.4510 -4.4247 -4.4247 -0.3774 -0.3774 0.6607 0.6607 2.5558 2.5558 2.6723 2.6723 3.3215 3.3215 3.8680 3.8680 4.0391 4.0391 4.3922 4.3922 7.1371 7.1371 8.7902 8.7902 8.9654 8.9654 10.1269 10.1269 k =-0.4788 0.2367-0.0000 ( 5294 PWs) bands (ev): -6.9802 -6.9802 -6.8907 -6.8907 -6.6719 -6.6719 -6.6709 -6.6709 -6.6246 -6.6246 -6.5295 -6.5295 -4.5171 -4.5171 -4.5077 -4.5077 -4.5023 -4.5023 -4.4874 -4.4874 -4.4512 -4.4512 -4.4248 -4.4248 -0.3829 -0.3829 0.6584 0.6584 2.5583 2.5583 2.6768 2.6768 3.3198 3.3198 3.8627 3.8627 4.0464 4.0464 4.3948 4.3948 7.1324 7.1324 8.7977 8.7977 8.9422 8.9422 10.0793 10.0793 k =-0.4718 0.2566-0.0000 ( 5290 PWs) bands (ev): -6.9786 -6.9786 -6.8879 -6.8879 -6.6719 -6.6719 -6.6709 -6.6709 -6.6250 -6.6250 -6.5293 -6.5293 -4.5178 -4.5178 -4.5075 -4.5075 -4.5022 -4.5022 -4.4872 -4.4872 -4.4514 -4.4514 -4.4249 -4.4249 -0.3906 -0.3906 0.6552 0.6552 2.5618 2.5618 2.6831 2.6831 3.3176 3.3176 3.8559 3.8559 4.0557 4.0557 4.3985 4.3985 7.1259 7.1259 8.8054 8.8054 8.9126 8.9126 10.0280 10.0280 k =-0.4647 0.2766-0.0000 ( 5290 PWs) bands (ev): -6.9764 -6.9764 -6.8843 -6.8843 -6.6720 -6.6720 -6.6708 -6.6708 -6.6255 -6.6255 -6.5291 -6.5291 -4.5187 -4.5187 -4.5072 -4.5072 -4.5022 -4.5022 -4.4869 -4.4869 -4.4518 -4.4518 -4.4251 -4.4251 -0.4003 -0.4003 0.6511 0.6511 2.5662 2.5662 2.6911 2.6911 3.3153 3.3153 3.8483 3.8483 4.0662 4.0662 4.4032 4.4032 7.1173 7.1173 8.8058 8.8058 8.8839 8.8839 9.9734 9.9734 k =-0.4577 0.2965-0.0000 ( 5302 PWs) bands (ev): -6.9738 -6.9738 -6.8800 -6.8800 -6.6721 -6.6721 -6.6707 -6.6707 -6.6261 -6.6261 -6.5288 -6.5288 -4.5198 -4.5198 -4.5069 -4.5069 -4.5022 -4.5022 -4.4866 -4.4866 -4.4522 -4.4522 -4.4253 -4.4253 -0.4120 -0.4120 0.6461 0.6461 2.5715 2.5715 2.7007 2.7007 3.3132 3.3132 3.8402 3.8402 4.0775 4.0775 4.4089 4.4089 7.1068 7.1068 8.7820 8.7820 8.8730 8.8730 9.9163 9.9163 k =-0.4506 0.3165-0.0000 ( 5308 PWs) bands (ev): -6.9708 -6.9708 -6.8750 -6.8750 -6.6722 -6.6722 -6.6706 -6.6706 -6.6268 -6.6268 -6.5285 -6.5285 -4.5210 -4.5210 -4.5066 -4.5066 -4.5021 -4.5021 -4.4862 -4.4862 -4.4526 -4.4526 -4.4256 -4.4256 -0.4256 -0.4256 0.6402 0.6402 2.5776 2.5776 2.7120 2.7120 3.3116 3.3116 3.8319 3.8319 4.0892 4.0892 4.4155 4.4155 7.0943 7.0943 8.7343 8.7343 8.8787 8.8787 9.8581 9.8581 k =-0.4436 0.3364-0.0000 ( 5310 PWs) bands (ev): -6.9674 -6.9674 -6.8693 -6.8693 -6.6723 -6.6723 -6.6705 -6.6705 -6.6276 -6.6276 -6.5281 -6.5281 -4.5223 -4.5223 -4.5064 -4.5064 -4.5020 -4.5020 -4.4858 -4.4858 -4.4531 -4.4531 -4.4259 -4.4259 -0.4410 -0.4410 0.6335 0.6335 2.5845 2.5845 2.7248 2.7248 3.3108 3.3108 3.8237 3.8237 4.1008 4.1008 4.4230 4.4230 7.0797 7.0797 8.6750 8.6750 8.8878 8.8878 9.8004 9.8004 k =-0.4365 0.3564-0.0000 ( 5318 PWs) bands (ev): -6.9636 -6.9636 -6.8629 -6.8629 -6.6724 -6.6724 -6.6705 -6.6705 -6.6285 -6.6285 -6.5277 -6.5277 -4.5236 -4.5236 -4.5063 -4.5063 -4.5019 -4.5019 -4.4853 -4.4853 -4.4537 -4.4537 -4.4263 -4.4263 -0.4580 -0.4580 0.6259 0.6259 2.5921 2.5921 2.7391 2.7391 3.3112 3.3112 3.8158 3.8158 4.1123 4.1123 4.4312 4.4312 7.0632 7.0632 8.6094 8.6094 8.8932 8.8932 9.7006 9.7006 k =-0.4294 0.3763-0.0000 ( 5318 PWs) bands (ev): -6.9595 -6.9595 -6.8558 -6.8558 -6.6724 -6.6724 -6.6704 -6.6704 -6.6295 -6.6295 -6.5273 -6.5273 -4.5251 -4.5251 -4.5063 -4.5063 -4.5017 -4.5017 -4.4847 -4.4847 -4.4542 -4.4542 -4.4267 -4.4267 -0.4764 -0.4764 0.6174 0.6174 2.6003 2.6003 2.7547 2.7547 3.3130 3.3130 3.8085 3.8085 4.1234 4.1234 4.4398 4.4398 7.0446 7.0446 8.5396 8.5396 8.8904 8.8904 9.5654 9.5654 k =-0.4224 0.3963-0.0000 ( 5306 PWs) bands (ev): -6.9550 -6.9550 -6.8482 -6.8482 -6.6725 -6.6725 -6.6703 -6.6703 -6.6305 -6.6305 -6.5269 -6.5269 -4.5266 -4.5266 -4.5065 -4.5065 -4.5014 -4.5014 -4.4841 -4.4841 -4.4548 -4.4548 -4.4271 -4.4271 -0.4962 -0.4962 0.6082 0.6082 2.6090 2.6090 2.7716 2.7716 3.3163 3.3163 3.8018 3.8018 4.1340 4.1340 4.4487 4.4487 7.0241 7.0241 8.4672 8.4672 8.8756 8.8756 9.4299 9.4299 k =-0.4153 0.4162-0.0000 ( 5302 PWs) bands (ev): -6.9502 -6.9502 -6.8401 -6.8401 -6.6725 -6.6725 -6.6702 -6.6702 -6.6317 -6.6317 -6.5264 -6.5264 -4.5281 -4.5281 -4.5067 -4.5067 -4.5010 -4.5010 -4.4835 -4.4835 -4.4554 -4.4554 -4.4276 -4.4276 -0.5170 -0.5170 0.5982 0.5982 2.6181 2.6181 2.7897 2.7897 3.3214 3.3214 3.7961 3.7961 4.1442 4.1442 4.4575 4.4575 7.0017 7.0017 8.3935 8.3935 8.8460 8.8460 9.2955 9.2955 k =-0.4083 0.4362-0.0000 ( 5300 PWs) bands (ev): -6.9452 -6.9452 -6.8316 -6.8316 -6.6725 -6.6725 -6.6701 -6.6701 -6.6329 -6.6329 -6.5260 -6.5260 -4.5297 -4.5297 -4.5071 -4.5071 -4.5006 -4.5006 -4.4828 -4.4828 -4.4560 -4.4560 -4.4282 -4.4282 -0.5388 -0.5388 0.5876 0.5876 2.6275 2.6275 2.8089 2.8089 3.3283 3.3283 3.7915 3.7915 4.1538 4.1538 4.4661 4.4661 6.9773 6.9773 8.3195 8.3195 8.8004 8.8004 9.1633 9.1633 k =-0.4012 0.4561-0.0000 ( 5302 PWs) bands (ev): -6.9400 -6.9400 -6.8226 -6.8226 -6.6725 -6.6725 -6.6701 -6.6701 -6.6342 -6.6342 -6.5255 -6.5255 -4.5313 -4.5313 -4.5075 -4.5075 -4.5001 -4.5001 -4.4821 -4.4821 -4.4565 -4.4565 -4.4289 -4.4289 -0.5612 -0.5612 0.5763 0.5763 2.6371 2.6371 2.8290 2.8290 3.3370 3.3370 3.7881 3.7881 4.1627 4.1627 4.4743 4.4743 6.9510 6.9510 8.2463 8.2463 8.7400 8.7400 9.0342 9.0342 k =-0.3942 0.4761-0.0000 ( 5310 PWs) bands (ev): -6.9346 -6.9346 -6.8133 -6.8133 -6.6725 -6.6725 -6.6700 -6.6700 -6.6356 -6.6356 -6.5251 -6.5251 -4.5330 -4.5330 -4.5081 -4.5081 -4.4996 -4.4996 -4.4813 -4.4813 -4.4571 -4.4571 -4.4296 -4.4296 -0.5842 -0.5842 0.5644 0.5644 2.6467 2.6467 2.8501 2.8501 3.3475 3.3475 3.7861 3.7861 4.1711 4.1711 4.4818 4.4818 6.9229 6.9229 8.1749 8.1749 8.6672 8.6672 8.9088 8.9088 k =-0.3871 0.4960-0.0000 ( 5319 PWs) bands (ev): -6.9290 -6.9290 -6.8038 -6.8038 -6.6724 -6.6724 -6.6700 -6.6700 -6.6369 -6.6369 -6.5247 -6.5247 -4.5346 -4.5346 -4.5087 -4.5087 -4.4991 -4.4991 -4.4805 -4.4805 -4.4576 -4.4576 -4.4303 -4.4303 -0.6073 -0.6073 0.5520 0.5520 2.6562 2.6562 2.8719 2.8719 3.3597 3.3597 3.7857 3.7857 4.1789 4.1789 4.4884 4.4884 6.8930 6.8930 8.1060 8.1060 8.5851 8.5851 8.7879 8.7879 k =-0.3801 0.5160-0.0000 ( 5323 PWs) bands (ev): -6.9234 -6.9234 -6.7942 -6.7942 -6.6723 -6.6723 -6.6699 -6.6699 -6.6383 -6.6383 -6.5242 -6.5242 -4.5363 -4.5363 -4.5094 -4.5094 -4.4986 -4.4986 -4.4797 -4.4797 -4.4581 -4.4581 -4.4311 -4.4311 -0.6305 -0.6305 0.5393 0.5393 2.6655 2.6655 2.8945 2.8945 3.3733 3.3733 3.7869 3.7869 4.1859 4.1859 4.4943 4.4943 6.8614 6.8614 8.0402 8.0402 8.4967 8.4967 8.6718 8.6718 k =-0.3730 0.5359-0.0000 ( 5315 PWs) bands (ev): -6.9177 -6.9177 -6.7846 -6.7846 -6.6720 -6.6720 -6.6699 -6.6699 -6.6397 -6.6397 -6.5238 -6.5238 -4.5379 -4.5379 -4.5102 -4.5102 -4.4981 -4.4981 -4.4789 -4.4789 -4.4585 -4.4585 -4.4319 -4.4319 -0.6534 -0.6534 0.5263 0.5263 2.6744 2.6744 2.9177 2.9177 3.3883 3.3883 3.7898 3.7898 4.1921 4.1921 4.4993 4.4993 6.8280 6.8280 7.9780 7.9780 8.4047 8.4047 8.5607 8.5607 k =-0.3659 0.5558-0.0000 ( 5323 PWs) bands (ev): -6.9119 -6.9119 -6.7751 -6.7751 -6.6717 -6.6717 -6.6698 -6.6698 -6.6410 -6.6410 -6.5235 -6.5235 -4.5394 -4.5394 -4.5110 -4.5110 -4.4977 -4.4977 -4.4780 -4.4780 -4.4589 -4.4589 -4.4328 -4.4328 -0.6759 -0.6759 0.5130 0.5130 2.6827 2.6827 2.9414 2.9414 3.4042 3.4042 3.7943 3.7943 4.1974 4.1974 4.5035 4.5035 6.7931 6.7931 7.9193 7.9193 8.3119 8.3119 8.4549 8.4549 k =-0.3589 0.5758-0.0000 ( 5329 PWs) bands (ev): -6.9062 -6.9062 -6.7659 -6.7659 -6.6713 -6.6713 -6.6698 -6.6698 -6.6422 -6.6422 -6.5231 -6.5231 -4.5410 -4.5410 -4.5118 -4.5118 -4.4972 -4.4972 -4.4771 -4.4771 -4.4592 -4.4592 -4.4338 -4.4338 -0.6976 -0.6976 0.4997 0.4997 2.6902 2.6902 2.9655 2.9655 3.4206 3.4206 3.8006 3.8006 4.2018 4.2018 4.5070 4.5070 6.7567 6.7567 7.8636 7.8636 8.2205 8.2205 8.3549 8.3549 k =-0.3518 0.5957-0.0000 ( 5333 PWs) bands (ev): -6.9006 -6.9006 -6.7572 -6.7572 -6.6707 -6.6707 -6.6697 -6.6697 -6.6433 -6.6433 -6.5227 -6.5227 -4.5424 -4.5424 -4.5127 -4.5127 -4.4968 -4.4968 -4.4763 -4.4763 -4.4595 -4.4595 -4.4347 -4.4347 -0.7184 -0.7184 0.4865 0.4865 2.6966 2.6966 2.9900 2.9900 3.4373 3.4373 3.8084 3.8084 4.2051 4.2051 4.5100 4.5100 6.7194 6.7194 7.8098 7.8098 8.1327 8.1327 8.2618 8.2618 k =-0.3448 0.6157-0.0000 ( 5325 PWs) bands (ev): -6.8951 -6.8951 -6.7493 -6.7493 -6.6700 -6.6700 -6.6696 -6.6696 -6.6440 -6.6440 -6.5222 -6.5222 -4.5438 -4.5438 -4.5136 -4.5136 -4.4965 -4.4965 -4.4754 -4.4754 -4.4596 -4.4596 -4.4357 -4.4357 -0.7381 -0.7381 0.4734 0.4734 2.7018 2.7018 3.0147 3.0147 3.4537 3.4537 3.8178 3.8178 4.2071 4.2071 4.5129 4.5129 6.6813 6.6813 7.7558 7.7558 8.0497 8.0497 8.1778 8.1778 k =-0.3377 0.6356-0.0000 ( 5315 PWs) bands (ev): -6.8897 -6.8897 -6.7423 -6.7423 -6.6698 -6.6698 -6.6689 -6.6689 -6.6444 -6.6444 -6.5216 -6.5216 -4.5451 -4.5451 -4.5145 -4.5145 -4.4961 -4.4961 -4.4745 -4.4745 -4.4597 -4.4597 -4.4367 -4.4367 -0.7563 -0.7563 0.4607 0.4607 2.7055 2.7055 3.0395 3.0395 3.4694 3.4694 3.8285 3.8285 4.2079 4.2079 4.5158 4.5158 6.6430 6.6430 7.6997 7.6997 7.9716 7.9716 8.1059 8.1059 k =-0.3307 0.6556-0.0000 ( 5317 PWs) bands (ev): -6.8845 -6.8845 -6.7364 -6.7364 -6.6697 -6.6697 -6.6680 -6.6680 -6.6441 -6.6441 -6.5209 -6.5209 -4.5462 -4.5462 -4.5155 -4.5155 -4.4958 -4.4958 -4.4736 -4.4736 -4.4597 -4.4597 -4.4377 -4.4377 -0.7730 -0.7730 0.4484 0.4484 2.7076 2.7076 3.0643 3.0643 3.4838 3.4838 3.8404 3.8404 4.2075 4.2075 4.5192 4.5192 6.6052 6.6052 7.6398 7.6398 7.8975 7.8975 8.0499 8.0499 k =-0.3236 0.6755-0.0000 ( 5313 PWs) bands (ev): -6.8796 -6.8796 -6.7318 -6.7318 -6.6697 -6.6697 -6.6673 -6.6673 -6.6431 -6.6431 -6.5199 -6.5199 -4.5473 -4.5473 -4.5164 -4.5164 -4.4956 -4.4956 -4.4728 -4.4728 -4.4596 -4.4596 -4.4388 -4.4388 -0.7879 -0.7879 0.4367 0.4367 2.7077 2.7077 3.0890 3.0890 3.4963 3.4963 3.8532 3.8532 4.2057 4.2057 4.5232 4.5232 6.5684 6.5684 7.5758 7.5758 7.8266 7.8266 8.0113 8.0113 k =-0.3166 0.6955-0.0000 ( 5319 PWs) bands (ev): -6.8749 -6.8749 -6.7286 -6.7286 -6.6697 -6.6697 -6.6669 -6.6669 -6.6414 -6.6414 -6.5186 -6.5186 -4.5482 -4.5482 -4.5174 -4.5174 -4.4954 -4.4954 -4.4720 -4.4720 -4.4594 -4.4594 -4.4398 -4.4398 -0.8008 -0.8008 0.4256 0.4256 2.7056 2.7056 3.1134 3.1134 3.5065 3.5065 3.8666 3.8666 4.2027 4.2027 4.5282 4.5282 6.5332 6.5332 7.5088 7.5088 7.7597 7.7597 7.9892 7.9892 k =-0.3095 0.7154-0.0000 ( 5327 PWs) bands (ev): -6.8705 -6.8705 -6.7266 -6.7266 -6.6697 -6.6697 -6.6668 -6.6668 -6.6391 -6.6391 -6.5168 -6.5168 -4.5490 -4.5490 -4.5183 -4.5183 -4.4952 -4.4952 -4.4713 -4.4713 -4.4591 -4.4591 -4.4408 -4.4408 -0.8116 -0.8116 0.4154 0.4154 2.7013 2.7013 3.1374 3.1374 3.5139 3.5139 3.8802 3.8802 4.1986 4.1986 4.5344 4.5344 6.5003 6.5003 7.4407 7.4407 7.6980 7.6980 7.9808 7.9808 k =-0.3024 0.7354-0.0000 ( 5331 PWs) bands (ev): -6.8664 -6.8664 -6.7259 -6.7259 -6.6697 -6.6697 -6.6670 -6.6670 -6.6366 -6.6366 -6.5144 -6.5144 -4.5496 -4.5496 -4.5192 -4.5192 -4.4950 -4.4950 -4.4706 -4.4706 -4.4586 -4.4586 -4.4419 -4.4419 -0.8201 -0.8201 0.4062 0.4062 2.6944 2.6944 3.1608 3.1608 3.5179 3.5179 3.8936 3.8936 4.1936 4.1936 4.5421 4.5421 6.4701 6.4701 7.3729 7.3729 7.6428 7.6428 7.9837 7.9837 k =-0.2954 0.7553-0.0000 ( 5339 PWs) bands (ev): -6.8628 -6.8628 -6.7262 -6.7262 -6.6697 -6.6697 -6.6674 -6.6674 -6.6341 -6.6341 -6.5113 -6.5113 -4.5500 -4.5500 -4.5202 -4.5202 -4.4949 -4.4949 -4.4701 -4.4701 -4.4580 -4.4580 -4.4428 -4.4428 -0.8261 -0.8261 0.3980 0.3980 2.6850 2.6850 3.1834 3.1834 3.5182 3.5182 3.9063 3.9063 4.1881 4.1881 4.5512 4.5512 6.4433 6.4433 7.3072 7.3072 7.5953 7.5953 7.9957 7.9957 k =-0.2883 0.7753-0.0000 ( 5339 PWs) bands (ev): -6.8595 -6.8595 -6.7274 -6.7274 -6.6697 -6.6697 -6.6679 -6.6679 -6.6322 -6.6322 -6.5075 -6.5075 -4.5503 -4.5503 -4.5211 -4.5211 -4.4948 -4.4948 -4.4696 -4.4696 -4.4572 -4.4572 -4.4438 -4.4438 -0.8296 -0.8296 0.3910 0.3910 2.6729 2.6729 3.2049 3.2049 3.5146 3.5146 3.9175 3.9175 4.1825 4.1825 4.5617 4.5617 6.4200 6.4200 7.2447 7.2447 7.5559 7.5559 8.0152 8.0152 k =-0.2813 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8567 -6.8567 -6.7295 -6.7295 -6.6698 -6.6698 -6.6686 -6.6686 -6.6309 -6.6309 -6.5028 -6.5028 -4.5504 -4.5504 -4.5220 -4.5220 -4.4947 -4.4947 -4.4693 -4.4693 -4.4563 -4.4563 -4.4448 -4.4448 -0.8304 -0.8304 0.3852 0.3852 2.6580 2.6580 3.2250 3.2250 3.5070 3.5070 3.9266 3.9266 4.1772 4.1772 4.5736 4.5736 6.4005 6.4005 7.1868 7.1868 7.5253 7.5253 8.0407 8.0407 k =-0.2813 0.7952-0.0000 ( 5339 PWs) bands (ev): -6.8567 -6.8567 -6.7295 -6.7295 -6.6698 -6.6698 -6.6686 -6.6686 -6.6309 -6.6309 -6.5028 -6.5028 -4.5504 -4.5504 -4.5220 -4.5220 -4.4947 -4.4947 -4.4693 -4.4693 -4.4563 -4.4563 -4.4448 -4.4448 -0.8304 -0.8304 0.3852 0.3852 2.6580 2.6580 3.2250 3.2250 3.5070 3.5070 3.9266 3.9266 4.1772 4.1772 4.5736 4.5736 6.4005 6.4005 7.1868 7.1868 7.5253 7.5253 8.0407 8.0407 k =-0.2813 0.7952 0.0218 ( 5339 PWs) bands (ev): -6.8572 -6.8572 -6.7310 -6.7310 -6.6706 -6.6706 -6.6680 -6.6680 -6.6292 -6.6292 -6.5022 -6.5022 -4.5502 -4.5502 -4.5219 -4.5219 -4.4946 -4.4946 -4.4691 -4.4691 -4.4564 -4.4564 -4.4445 -4.4445 -0.8291 -0.8291 0.3858 0.3858 2.6557 2.6557 3.2195 3.2195 3.5079 3.5079 3.9197 3.9197 4.1730 4.1730 4.5739 4.5739 6.4069 6.4069 7.1898 7.1898 7.5317 7.5317 8.0454 8.0454 k =-0.2813 0.7952 0.0436 ( 5337 PWs) bands (ev): -6.8586 -6.8586 -6.7354 -6.7354 -6.6718 -6.6718 -6.6675 -6.6675 -6.6244 -6.6244 -6.5003 -6.5003 -4.5497 -4.5497 -4.5217 -4.5217 -4.4943 -4.4943 -4.4688 -4.4688 -4.4568 -4.4568 -4.4438 -4.4438 -0.8251 -0.8251 0.3876 0.3876 2.6488 2.6488 3.2034 3.2034 3.5103 3.5103 3.8989 3.8989 4.1611 4.1611 4.5742 4.5742 6.4255 6.4255 7.1993 7.1993 7.5511 7.5511 8.0595 8.0595 k =-0.2813 0.7952 0.0654 ( 5329 PWs) bands (ev): -6.8609 -6.8609 -6.7420 -6.7420 -6.6730 -6.6730 -6.6671 -6.6671 -6.6172 -6.6172 -6.4972 -6.4972 -4.5488 -4.5488 -4.5213 -4.5213 -4.4939 -4.4939 -4.4682 -4.4682 -4.4573 -4.4573 -4.4428 -4.4428 -0.8185 -0.8185 0.3904 0.3904 2.6372 2.6372 3.1782 3.1782 3.5130 3.5130 3.8648 3.8648 4.1433 4.1433 4.5737 4.5737 6.4546 6.4546 7.2162 7.2162 7.5834 7.5834 8.0825 8.0825 k =-0.2813 0.7952 0.0872 ( 5331 PWs) bands (ev): -6.8640 -6.8640 -6.7502 -6.7502 -6.6740 -6.6740 -6.6670 -6.6670 -6.6085 -6.6085 -6.4930 -6.4930 -4.5477 -4.5477 -4.5207 -4.5207 -4.4932 -4.4932 -4.4674 -4.4674 -4.4578 -4.4578 -4.4416 -4.4416 -0.8092 -0.8092 0.3944 0.3944 2.6211 2.6211 3.1454 3.1454 3.5150 3.5150 3.8184 3.8184 4.1215 4.1215 4.5709 4.5709 6.4919 6.4919 7.2421 7.2421 7.6287 7.6287 8.1140 8.1140 k =-0.2813 0.7952 0.1090 ( 5330 PWs) bands (ev): -6.8678 -6.8678 -6.7594 -6.7594 -6.6749 -6.6749 -6.6670 -6.6670 -6.5987 -6.5987 -6.4879 -6.4879 -4.5462 -4.5462 -4.5201 -4.5201 -4.4925 -4.4925 -4.4665 -4.4665 -4.4582 -4.4582 -4.4401 -4.4401 -0.7973 -0.7973 0.3994 0.3994 2.6003 2.6003 3.1065 3.1065 3.5147 3.5147 3.7617 3.7617 4.0976 4.0976 4.5647 4.5647 6.5347 6.5347 7.2789 7.2789 7.6862 7.6862 8.1535 8.1535 k =-0.2813 0.7952 0.1308 ( 5332 PWs) bands (ev): -6.8723 -6.8723 -6.7694 -6.7694 -6.6757 -6.6757 -6.6670 -6.6670 -6.5883 -6.5883 -6.4820 -6.4820 -4.5445 -4.5445 -4.5193 -4.5193 -4.4917 -4.4917 -4.4655 -4.4655 -4.4581 -4.4581 -4.4385 -4.4385 -0.7828 -0.7828 0.4053 0.4053 2.5751 2.5751 3.0630 3.0630 3.5100 3.5100 3.6984 3.6984 4.0728 4.0728 4.5540 4.5540 6.5808 6.5808 7.3279 7.3279 7.7553 7.7553 8.2007 8.2007 k =-0.2813 0.7952 0.1526 ( 5334 PWs) bands (ev): -6.8773 -6.8773 -6.7797 -6.7797 -6.6764 -6.6764 -6.6671 -6.6671 -6.5774 -6.5774 -6.4755 -6.4755 -4.5426 -4.5426 -4.5184 -4.5184 -4.4909 -4.4909 -4.4645 -4.4645 -4.4576 -4.4576 -4.4368 -4.4368 -0.7657 -0.7657 0.4120 0.4120 2.5457 2.5457 3.0157 3.0157 3.4957 3.4957 3.6360 3.6360 4.0476 4.0476 4.5379 4.5379 6.6285 6.6285 7.3899 7.3899 7.8347 7.8347 8.2555 8.2555 k =-0.2813 0.7952 0.1744 ( 5326 PWs) bands (ev): -6.8827 -6.8827 -6.7903 -6.7903 -6.6770 -6.6770 -6.6672 -6.6672 -6.5664 -6.5664 -6.4684 -6.4684 -4.5406 -4.5406 -4.5174 -4.5174 -4.4901 -4.4901 -4.4637 -4.4637 -4.4563 -4.4563 -4.4350 -4.4350 -0.7461 -0.7461 0.4193 0.4193 2.5121 2.5121 2.9657 2.9657 3.4597 3.4597 3.5888 3.5888 4.0223 4.0223 4.5163 4.5163 6.6770 6.6770 7.4646 7.4646 7.9227 7.9227 8.3177 8.3177 k =-0.2813 0.7952 0.1962 ( 5328 PWs) bands (ev): -6.8884 -6.8884 -6.8010 -6.8010 -6.6776 -6.6776 -6.6674 -6.6674 -6.5552 -6.5552 -6.4611 -6.4611 -4.5385 -4.5385 -4.5164 -4.5164 -4.4894 -4.4894 -4.4631 -4.4631 -4.4542 -4.4542 -4.4331 -4.4331 -0.7238 -0.7238 0.4272 0.4272 2.4749 2.4749 2.9133 2.9133 3.3963 3.3963 3.5649 3.5649 3.9966 3.9966 4.4893 4.4893 6.7262 6.7262 7.5511 7.5511 8.0175 8.0175 8.3874 8.3874 k =-0.2813 0.7952 0.2179 ( 5329 PWs) bands (ev): -6.8943 -6.8943 -6.8116 -6.8116 -6.6780 -6.6780 -6.6675 -6.6675 -6.5440 -6.5440 -6.4535 -6.4535 -4.5363 -4.5363 -4.5152 -4.5152 -4.4889 -4.4889 -4.4624 -4.4624 -4.4516 -4.4516 -4.4310 -4.4310 -0.6991 -0.6991 0.4354 0.4354 2.4345 2.4345 2.8591 2.8591 3.3181 3.3181 3.5539 3.5539 3.9704 3.9704 4.4574 4.4574 6.7765 6.7765 7.6476 7.6476 8.1171 8.1171 8.4646 8.4646 k =-0.2813 0.7952 0.2397 ( 5323 PWs) bands (ev): -6.9003 -6.9003 -6.8222 -6.8222 -6.6783 -6.6783 -6.6677 -6.6677 -6.5329 -6.5329 -6.4458 -6.4458 -4.5343 -4.5343 -4.5139 -4.5139 -4.4885 -4.4885 -4.4616 -4.4616 -4.4485 -4.4485 -4.4289 -4.4289 -0.6718 -0.6718 0.4437 0.4437 2.3913 2.3913 2.8031 2.8031 3.2353 3.2353 3.5475 3.5475 3.9433 3.9433 4.4216 4.4216 6.8282 6.8282 7.7522 7.7522 8.2194 8.2194 8.5492 8.5492 k =-0.2813 0.7952 0.2615 ( 5313 PWs) bands (ev): -6.9063 -6.9063 -6.8326 -6.8326 -6.6786 -6.6786 -6.6678 -6.6678 -6.5219 -6.5219 -6.4381 -6.4381 -4.5323 -4.5323 -4.5126 -4.5126 -4.4883 -4.4883 -4.4606 -4.4606 -4.4450 -4.4450 -4.4266 -4.4266 -0.6421 -0.6421 0.4518 0.4518 2.3460 2.3460 2.7452 2.7452 3.1529 3.1529 3.5427 3.5427 3.9151 3.9151 4.3829 4.3829 6.8817 6.8817 7.8629 7.8629 8.3220 8.3220 8.6409 8.6409 k =-0.2813 0.7952 0.2833 ( 5313 PWs) bands (ev): -6.9123 -6.9123 -6.8427 -6.8427 -6.6788 -6.6788 -6.6680 -6.6680 -6.5112 -6.5112 -6.4305 -6.4305 -4.5304 -4.5304 -4.5112 -4.5112 -4.4881 -4.4881 -4.4595 -4.4595 -4.4412 -4.4412 -4.4241 -4.4241 -0.6100 -0.6100 0.4594 0.4594 2.2991 2.2991 2.6853 2.6853 3.0739 3.0739 3.5380 3.5380 3.8858 3.8858 4.3428 4.3428 6.9370 6.9370 7.9776 7.9776 8.4229 8.4229 8.7390 8.7390 k =-0.2813 0.7952 0.3051 ( 5307 PWs) bands (ev): -6.9181 -6.9181 -6.8526 -6.8526 -6.6789 -6.6789 -6.6682 -6.6682 -6.5007 -6.5007 -6.4231 -6.4231 -4.5287 -4.5287 -4.5098 -4.5098 -4.4879 -4.4879 -4.4584 -4.4584 -4.4371 -4.4371 -4.4215 -4.4215 -0.5755 -0.5755 0.4663 0.4663 2.2513 2.2513 2.6230 2.6230 3.0004 3.0004 3.5320 3.5320 3.8557 3.8557 4.3023 4.3023 6.9943 6.9943 8.0939 8.0939 8.5206 8.5206 8.8425 8.8425 k =-0.2813 0.7952 0.3269 ( 5304 PWs) bands (ev): -6.9237 -6.9237 -6.8622 -6.8622 -6.6790 -6.6790 -6.6684 -6.6684 -6.4905 -6.4905 -6.4159 -6.4159 -4.5272 -4.5272 -4.5086 -4.5086 -4.4877 -4.4877 -4.4572 -4.4572 -4.4328 -4.4328 -4.4188 -4.4188 -0.5388 -0.5388 0.4721 0.4721 2.2031 2.2031 2.5583 2.5583 2.9342 2.9342 3.5234 3.5234 3.8258 3.8258 4.2625 4.2625 7.0535 7.0535 8.2089 8.2089 8.6140 8.6140 8.9496 8.9496 k =-0.2813 0.7952 0.3487 ( 5310 PWs) bands (ev): -6.9291 -6.9291 -6.8714 -6.8714 -6.6790 -6.6790 -6.6686 -6.6686 -6.4806 -6.4806 -6.4091 -6.4091 -4.5259 -4.5259 -4.5075 -4.5075 -4.4873 -4.4873 -4.4560 -4.4560 -4.4284 -4.4284 -4.4159 -4.4159 -0.4999 -0.4999 0.4763 0.4763 2.1550 2.1550 2.4913 2.4913 2.8763 2.8763 3.5102 3.5102 3.7978 3.7978 4.2244 4.2244 7.1143 7.1143 8.3191 8.3191 8.7029 8.7029 9.0589 9.0589 k =-0.2813 0.7952 0.3705 ( 5310 PWs) bands (ev): -6.9342 -6.9342 -6.8802 -6.8802 -6.6790 -6.6790 -6.6688 -6.6688 -6.4712 -6.4712 -6.4026 -6.4026 -4.5247 -4.5247 -4.5067 -4.5067 -4.4867 -4.4867 -4.4549 -4.4549 -4.4239 -4.4239 -4.4129 -4.4129 -0.4589 -0.4589 0.4786 0.4786 2.1076 2.1076 2.4229 2.4229 2.8271 2.8271 3.4903 3.4903 3.7737 3.7737 4.1884 4.1884 7.1766 7.1766 8.4191 8.4191 8.7888 8.7888 9.1690 9.1690 k =-0.2813 0.7952 0.3923 ( 5308 PWs) bands (ev): -6.9390 -6.9390 -6.8886 -6.8886 -6.6789 -6.6789 -6.6690 -6.6690 -6.4622 -6.4622 -6.3965 -6.3965 -4.5236 -4.5236 -4.5062 -4.5062 -4.4858 -4.4858 -4.4538 -4.4538 -4.4194 -4.4194 -4.4098 -4.4098 -0.4159 -0.4159 0.4785 0.4785 2.0614 2.0614 2.3543 2.3543 2.7866 2.7866 3.4621 3.4621 3.7558 3.7558 4.1548 4.1548 7.2402 7.2402 8.5026 8.5026 8.8749 8.8749 9.2789 9.2789 k =-0.2813 0.7952 0.4141 ( 5304 PWs) bands (ev): -6.9434 -6.9434 -6.8965 -6.8965 -6.6788 -6.6788 -6.6692 -6.6692 -6.4537 -6.4537 -6.3908 -6.3908 -4.5226 -4.5226 -4.5060 -4.5060 -4.4847 -4.4847 -4.4529 -4.4529 -4.4151 -4.4151 -4.4066 -4.4066 -0.3711 -0.3711 0.4756 0.4756 2.0168 2.0168 2.2869 2.2869 2.7544 2.7544 3.4253 3.4253 3.7448 3.7448 4.1236 4.1236 7.3048 7.3048 8.5633 8.5633 8.9650 8.9650 9.3882 9.3882 k =-0.2813 0.7952 0.4359 ( 5310 PWs) bands (ev): -6.9473 -6.9473 -6.9040 -6.9040 -6.6786 -6.6786 -6.6694 -6.6694 -6.4457 -6.4457 -6.3857 -6.3857 -4.5217 -4.5217 -4.5061 -4.5061 -4.4835 -4.4835 -4.4521 -4.4521 -4.4108 -4.4108 -4.4034 -4.4034 -0.3245 -0.3245 0.4694 0.4694 1.9741 1.9741 2.2219 2.2219 2.7301 2.7301 3.3808 3.3808 3.7404 3.7404 4.0945 4.0945 7.3703 7.3703 8.5987 8.5987 9.0604 9.0604 9.4965 9.4965 k =-0.2813 0.7952 0.4577 ( 5306 PWs) bands (ev): -6.9509 -6.9509 -6.9109 -6.9109 -6.6785 -6.6785 -6.6696 -6.6696 -6.4383 -6.4383 -6.3810 -6.3810 -4.5208 -4.5208 -4.5065 -4.5065 -4.4821 -4.4821 -4.4514 -4.4514 -4.4068 -4.4068 -4.4003 -4.4003 -0.2765 -0.2765 0.4595 0.4595 1.9338 1.9338 2.1608 2.1608 2.7134 2.7134 3.3307 3.3307 3.7414 3.7414 4.0673 4.0673 7.4363 7.4363 8.6106 8.6106 9.1595 9.1595 9.6031 9.6031 k =-0.2813 0.7952 0.4795 ( 5302 PWs) bands (ev): -6.9540 -6.9540 -6.9173 -6.9173 -6.6783 -6.6783 -6.6699 -6.6699 -6.4316 -6.4316 -6.3768 -6.3768 -4.5200 -4.5200 -4.5070 -4.5070 -4.4807 -4.4807 -4.4508 -4.4508 -4.4030 -4.4030 -4.3973 -4.3973 -0.2271 -0.2271 0.4457 0.4457 1.8963 1.8963 2.1044 2.1044 2.7038 2.7038 3.2768 3.2768 3.7466 3.7466 4.0418 4.0418 7.5024 7.5024 8.6032 8.6032 9.2586 9.2586 9.7071 9.7071 k =-0.2813 0.7952 0.5013 ( 5310 PWs) bands (ev): -6.9567 -6.9567 -6.9231 -6.9231 -6.6781 -6.6781 -6.6701 -6.6701 -6.4255 -6.4255 -6.3731 -6.3731 -4.5192 -4.5192 -4.5076 -4.5076 -4.4794 -4.4794 -4.4504 -4.4504 -4.3995 -4.3995 -4.3946 -4.3946 -0.1766 -0.1766 0.4275 0.4275 1.8619 1.8619 2.0537 2.0537 2.7010 2.7010 3.2210 3.2210 3.7549 3.7549 4.0177 4.0177 7.5684 7.5684 8.5811 8.5811 9.3542 9.3542 9.8072 9.8072 k =-0.2813 0.7952 0.5231 ( 5316 PWs) bands (ev): -6.9589 -6.9589 -6.9282 -6.9282 -6.6779 -6.6779 -6.6703 -6.6703 -6.4201 -6.4201 -6.3699 -6.3699 -4.5184 -4.5184 -4.5083 -4.5083 -4.4781 -4.4781 -4.4500 -4.4500 -4.3963 -4.3963 -4.3920 -4.3920 -0.1254 -0.1254 0.4049 0.4049 1.8309 1.8309 2.0093 2.0093 2.7048 2.7048 3.1646 3.1646 3.7655 3.7655 3.9948 3.9948 7.6335 7.6335 8.5483 8.5483 9.4429 9.4429 9.9015 9.9015 k =-0.2813 0.7952 0.5449 ( 5312 PWs) bands (ev): -6.9607 -6.9607 -6.9327 -6.9327 -6.6777 -6.6777 -6.6705 -6.6705 -6.4154 -6.4154 -6.3673 -6.3673 -4.5176 -4.5176 -4.5091 -4.5091 -4.4770 -4.4770 -4.4498 -4.4498 -4.3935 -4.3935 -4.3898 -4.3898 -0.0737 -0.0737 0.3778 0.3778 1.8038 1.8038 1.9714 1.9714 2.7149 2.7149 3.1088 3.1088 3.7778 3.7778 3.9731 3.9731 7.6969 7.6969 8.5086 8.5086 9.5222 9.5222 9.9879 9.9879 k =-0.2813 0.7952 0.5667 ( 5307 PWs) bands (ev): -6.9621 -6.9621 -6.9365 -6.9365 -6.6776 -6.6776 -6.6706 -6.6706 -6.4115 -6.4115 -6.3651 -6.3651 -4.5168 -4.5168 -4.5099 -4.5099 -4.4760 -4.4760 -4.4496 -4.4496 -4.3912 -4.3912 -4.3880 -4.3880 -0.0219 -0.0219 0.3465 0.3465 1.7810 1.7810 1.9405 1.9405 2.7309 2.7309 3.0547 3.0547 3.7913 3.7913 3.9525 3.9525 7.7572 7.7572 8.4653 8.4653 9.5900 9.5900 10.0638 10.0638 k =-0.2813 0.7952 0.5885 ( 5313 PWs) bands (ev): -6.9631 -6.9631 -6.9396 -6.9396 -6.6774 -6.6774 -6.6708 -6.6708 -6.4085 -6.4085 -6.3635 -6.3635 -4.5160 -4.5160 -4.5107 -4.5107 -4.4752 -4.4752 -4.4494 -4.4494 -4.3893 -4.3893 -4.3865 -4.3865 0.0293 0.0293 0.3112 0.3112 1.7629 1.7629 1.9164 1.9164 2.7522 2.7522 3.0033 3.0033 3.8054 3.8054 3.9332 3.9332 7.8122 7.8122 8.4222 8.4222 9.6445 9.6445 10.1265 10.1265 k =-0.2813 0.7952 0.6102 ( 5316 PWs) bands (ev): -6.9637 -6.9637 -6.9419 -6.9419 -6.6773 -6.6773 -6.6709 -6.6709 -6.4062 -6.4062 -6.3623 -6.3623 -4.5153 -4.5153 -4.5115 -4.5115 -4.4746 -4.4746 -4.4494 -4.4494 -4.3879 -4.3879 -4.3854 -4.3854 0.0794 0.0794 0.2725 0.2725 1.7497 1.7497 1.8993 1.8993 2.7778 2.7778 2.9560 2.9560 3.8191 3.8191 3.9158 3.9158 7.8583 7.8583 8.3838 8.3838 9.6843 9.6843 10.1733 10.1733 k =-0.2813 0.7952 0.6320 ( 5322 PWs) bands (ev): -6.9641 -6.9641 -6.9432 -6.9432 -6.6773 -6.6773 -6.6710 -6.6710 -6.4049 -6.4049 -6.3616 -6.3616 -4.5146 -4.5146 -4.5121 -4.5121 -4.4743 -4.4743 -4.4493 -4.4493 -4.3871 -4.3871 -4.3848 -4.3848 0.1264 0.1264 0.2324 0.2324 1.7417 1.7417 1.8890 1.8890 2.8046 2.8046 2.9160 2.9160 3.8306 3.8306 3.9023 3.9023 7.8902 7.8902 8.3563 8.3563 9.7085 9.7085 10.2023 10.2023 k =-0.2813 0.7952 0.6538 ( 5328 PWs) bands (ev): -6.9642 -6.9642 -6.9437 -6.9437 -6.6773 -6.6773 -6.6710 -6.6710 -6.4045 -6.4045 -6.3614 -6.3614 -4.5143 -4.5143 -4.5125 -4.5125 -4.4742 -4.4742 -4.4493 -4.4493 -4.3868 -4.3868 -4.3846 -4.3846 0.1560 0.1560 0.2051 0.2051 1.7390 1.7390 1.8856 1.8856 2.8199 2.8199 2.8964 2.8964 3.8356 3.8356 3.8966 3.8966 7.9019 7.9019 8.3461 8.3461 9.7167 9.7167 10.2121 10.2121 k =-0.2813 0.7952 0.6538 ( 5328 PWs) bands (ev): -6.9642 -6.9642 -6.9437 -6.9437 -6.6773 -6.6773 -6.6710 -6.6710 -6.4045 -6.4045 -6.3614 -6.3614 -4.5143 -4.5143 -4.5125 -4.5125 -4.4742 -4.4742 -4.4493 -4.4493 -4.3868 -4.3868 -4.3846 -4.3846 0.1560 0.1560 0.2051 0.2051 1.7390 1.7390 1.8856 1.8856 2.8199 2.8199 2.8964 2.8964 3.8356 3.8356 3.8966 3.8966 7.9019 7.9019 8.3461 8.3461 9.7167 9.7167 10.2121 10.2121 k =-0.2883 0.7753 0.6538 ( 5328 PWs) bands (ev): -6.9613 -6.9613 -6.9421 -6.9421 -6.6773 -6.6773 -6.6711 -6.6711 -6.4069 -6.4069 -6.3659 -6.3659 -4.5145 -4.5145 -4.5128 -4.5128 -4.4739 -4.4739 -4.4497 -4.4497 -4.3896 -4.3896 -4.3869 -4.3869 0.1223 0.1223 0.1697 0.1697 1.7624 1.7624 1.9022 1.9022 2.8763 2.8763 2.9492 2.9492 3.8598 3.8598 3.9196 3.9196 7.8615 7.8615 8.3029 8.3029 9.7060 9.7060 10.2010 10.2010 k =-0.2954 0.7553 0.6538 ( 5328 PWs) bands (ev): -6.9581 -6.9581 -6.9402 -6.9402 -6.6774 -6.6774 -6.6711 -6.6711 -6.4099 -6.4099 -6.3711 -6.3711 -4.5146 -4.5146 -4.5131 -4.5131 -4.4736 -4.4736 -4.4503 -4.4503 -4.3928 -4.3928 -4.3896 -4.3896 0.0860 0.0860 0.1314 0.1314 1.7918 1.7918 1.9250 1.9250 2.9361 2.9361 3.0060 3.0060 3.8842 3.8842 3.9428 3.9428 7.8196 7.8196 8.2582 8.2582 9.6922 9.6922 10.1862 10.1862 k =-0.3024 0.7354 0.6538 ( 5328 PWs) bands (ev): -6.9546 -6.9546 -6.9379 -6.9379 -6.6775 -6.6775 -6.6712 -6.6712 -6.4136 -6.4136 -6.3769 -6.3769 -4.5148 -4.5148 -4.5135 -4.5135 -4.4734 -4.4734 -4.4508 -4.4508 -4.3963 -4.3963 -4.3926 -4.3926 0.0476 0.0476 0.0908 0.0908 1.8270 1.8270 1.9536 1.9536 2.9990 2.9990 3.0661 3.0661 3.9088 3.9088 3.9664 3.9664 7.7763 7.7763 8.2118 8.2118 9.6754 9.6754 10.1670 10.1670 k =-0.3095 0.7154 0.6538 ( 5332 PWs) bands (ev): -6.9508 -6.9508 -6.9354 -6.9354 -6.6776 -6.6776 -6.6713 -6.6713 -6.4180 -6.4180 -6.3833 -6.3833 -4.5150 -4.5150 -4.5139 -4.5139 -4.4732 -4.4732 -4.4514 -4.4514 -4.4002 -4.4002 -4.3959 -4.3959 0.0076 0.0076 0.0485 0.0485 1.8674 1.8674 1.9878 1.9878 3.0643 3.0643 3.1290 3.1290 3.9337 3.9337 3.9905 3.9905 7.7315 7.7315 8.1637 8.1637 9.6554 9.6554 10.1431 10.1431 k =-0.3166 0.6955 0.6538 ( 5328 PWs) bands (ev): -6.9467 -6.9467 -6.9325 -6.9325 -6.6777 -6.6777 -6.6714 -6.6714 -6.4229 -6.4229 -6.3903 -6.3903 -4.5152 -4.5152 -4.5143 -4.5143 -4.4731 -4.4731 -4.4521 -4.4521 -4.4043 -4.4043 -4.3995 -4.3995 -0.0334 -0.0334 0.0051 0.0051 1.9127 1.9127 2.0271 2.0271 3.1316 3.1316 3.1939 3.1939 3.9591 3.9591 4.0153 4.0153 7.6851 7.6851 8.1140 8.1140 9.6324 9.6324 10.1140 10.1140 k =-0.3236 0.6755 0.6538 ( 5320 PWs) bands (ev): -6.9423 -6.9423 -6.9293 -6.9293 -6.6778 -6.6778 -6.6714 -6.6714 -6.4284 -6.4284 -6.3978 -6.3978 -4.5154 -4.5154 -4.5148 -4.5148 -4.4730 -4.4730 -4.4528 -4.4528 -4.4087 -4.4087 -4.4034 -4.4034 -0.0752 -0.0752 -0.0389 -0.0389 1.9626 1.9626 2.0711 2.0711 3.2001 3.2001 3.2602 3.2602 3.9853 3.9853 4.0412 4.0412 7.6373 7.6373 8.0627 8.0627 9.6062 9.6062 10.0796 10.0796 k =-0.3307 0.6556 0.6538 ( 5332 PWs) bands (ev): -6.9376 -6.9376 -6.9258 -6.9258 -6.6779 -6.6779 -6.6715 -6.6715 -6.4345 -6.4345 -6.4059 -6.4059 -4.5156 -4.5156 -4.5152 -4.5152 -4.4729 -4.4729 -4.4536 -4.4536 -4.4132 -4.4132 -4.4074 -4.4074 -0.1171 -0.1171 -0.0830 -0.0830 2.0166 2.0166 2.1197 2.1197 3.2692 3.2692 3.3270 3.3270 4.0124 4.0124 4.0685 4.0685 7.5880 7.5880 8.0096 8.0096 9.5768 9.5768 10.0396 10.0396 k =-0.3377 0.6356 0.6538 ( 5328 PWs) bands (ev): -6.9326 -6.9326 -6.9220 -6.9220 -6.6781 -6.6781 -6.6715 -6.6715 -6.4412 -6.4412 -6.4144 -6.4144 -4.5158 -4.5158 -4.5157 -4.5157 -4.4728 -4.4728 -4.4544 -4.4544 -4.4180 -4.4180 -4.4117 -4.4117 -0.1590 -0.1590 -0.1270 -0.1270 2.0745 2.0745 2.1723 2.1723 3.3382 3.3382 3.3935 3.3935 4.0408 4.0408 4.0978 4.0978 7.5372 7.5372 7.9549 7.9549 9.5443 9.5443 9.9942 9.9942 k =-0.3448 0.6157 0.6538 ( 5324 PWs) bands (ev): -6.9274 -6.9274 -6.9180 -6.9180 -6.6782 -6.6782 -6.6715 -6.6715 -6.4483 -6.4483 -6.4234 -6.4234 -4.5162 -4.5162 -4.5160 -4.5160 -4.4728 -4.4728 -4.4552 -4.4552 -4.4228 -4.4228 -4.4161 -4.4161 -0.2004 -0.2004 -0.1705 -0.1705 2.1358 2.1358 2.2287 2.2287 3.4061 3.4061 3.4585 3.4585 4.0710 4.0710 4.1297 4.1297 7.4851 7.4851 7.8986 7.8986 9.5086 9.5086 9.9436 9.9436 k =-0.3518 0.5957 0.6538 ( 5326 PWs) bands (ev): -6.9219 -6.9219 -6.9136 -6.9136 -6.6783 -6.6783 -6.6715 -6.6715 -6.4560 -6.4560 -6.4328 -6.4328 -4.5167 -4.5167 -4.5162 -4.5162 -4.4728 -4.4728 -4.4561 -4.4561 -4.4277 -4.4277 -4.4206 -4.4206 -0.2411 -0.2411 -0.2132 -0.2132 2.2004 2.2004 2.2886 2.2886 3.4723 3.4723 3.5212 3.5212 4.1034 4.1034 4.1647 4.1647 7.4316 7.4316 7.8408 7.8408 9.4700 9.4700 9.8882 9.8882 k =-0.3589 0.5758 0.6538 ( 5318 PWs) bands (ev): -6.9161 -6.9161 -6.9089 -6.9089 -6.6784 -6.6784 -6.6715 -6.6715 -6.4640 -6.4640 -6.4425 -6.4425 -4.5172 -4.5172 -4.5165 -4.5165 -4.4728 -4.4728 -4.4570 -4.4570 -4.4326 -4.4326 -4.4252 -4.4252 -0.2809 -0.2809 -0.2549 -0.2549 2.2679 2.2679 2.3515 2.3515 3.5358 3.5358 3.5806 3.5806 4.1384 4.1384 4.2034 4.2034 7.3770 7.3770 7.7815 7.7815 9.4284 9.4284 9.8285 9.8285 k =-0.3659 0.5558 0.6538 ( 5324 PWs) bands (ev): -6.9100 -6.9100 -6.9039 -6.9039 -6.6786 -6.6786 -6.6715 -6.6715 -6.4725 -6.4725 -6.4526 -6.4526 -4.5177 -4.5177 -4.5167 -4.5167 -4.4729 -4.4729 -4.4580 -4.4580 -4.4376 -4.4376 -4.4299 -4.4299 -0.3195 -0.3195 -0.2953 -0.2953 2.3379 2.3379 2.4172 2.4172 3.5958 3.5958 3.6358 3.6358 4.1763 4.1763 4.2462 4.2462 7.3213 7.3213 7.7209 7.7209 9.3843 9.3843 9.7651 9.7651 k =-0.3730 0.5359 0.6538 ( 5336 PWs) bands (ev): -6.9038 -6.9038 -6.8987 -6.8987 -6.6787 -6.6787 -6.6714 -6.6714 -6.4814 -6.4814 -6.4630 -6.4630 -4.5182 -4.5182 -4.5169 -4.5169 -4.4730 -4.4730 -4.4590 -4.4590 -4.4424 -4.4424 -4.4345 -4.4345 -0.3569 -0.3569 -0.3344 -0.3344 2.4102 2.4102 2.4852 2.4852 3.6517 3.6517 3.6862 3.6862 4.2175 4.2175 4.2932 4.2932 7.2648 7.2648 7.6590 7.6590 9.3377 9.3377 9.6986 9.6986 k =-0.3801 0.5160 0.6538 ( 5332 PWs) bands (ev): -6.8973 -6.8973 -6.8933 -6.8933 -6.6788 -6.6788 -6.6713 -6.6713 -6.4906 -6.4906 -6.4737 -6.4737 -4.5187 -4.5187 -4.5172 -4.5172 -4.4731 -4.4731 -4.4601 -4.4601 -4.4471 -4.4471 -4.4392 -4.4392 -0.3927 -0.3927 -0.3719 -0.3719 2.4842 2.4842 2.5551 2.5551 3.7033 3.7033 3.7316 3.7316 4.2617 4.2617 4.3443 4.3443 7.2077 7.2077 7.5963 7.5963 9.2893 9.2893 9.6299 9.6299 k =-0.3871 0.4960 0.6538 ( 5328 PWs) bands (ev): -6.8906 -6.8906 -6.8875 -6.8875 -6.6789 -6.6789 -6.6712 -6.6712 -6.5001 -6.5001 -6.4845 -6.4845 -4.5192 -4.5192 -4.5174 -4.5174 -4.4732 -4.4732 -4.4613 -4.4613 -4.4515 -4.4515 -4.4437 -4.4437 -0.4270 -0.4270 -0.4077 -0.4077 2.5596 2.5596 2.6264 2.6264 3.7503 3.7503 3.7722 3.7722 4.3086 4.3086 4.3986 4.3986 7.1504 7.1504 7.5328 7.5328 9.2393 9.2393 9.5596 9.5596 k =-0.3942 0.4761 0.6538 ( 5320 PWs) bands (ev): -6.8837 -6.8837 -6.8816 -6.8816 -6.6790 -6.6790 -6.6710 -6.6710 -6.5098 -6.5098 -6.4954 -6.4954 -4.5197 -4.5197 -4.5177 -4.5177 -4.4734 -4.4734 -4.4628 -4.4628 -4.4555 -4.4555 -4.4481 -4.4481 -0.4596 -0.4596 -0.4418 -0.4418 2.6359 2.6359 2.6987 2.6987 3.7932 3.7932 3.8084 3.8084 4.3574 4.3574 4.4552 4.4552 7.0934 7.0934 7.4689 7.4689 9.1885 9.1885 9.4886 9.4886 k =-0.4012 0.4561 0.6538 ( 5318 PWs) bands (ev): -6.8767 -6.8767 -6.8755 -6.8755 -6.6790 -6.6790 -6.6708 -6.6708 -6.5197 -6.5197 -6.5064 -6.5064 -4.5201 -4.5201 -4.5179 -4.5179 -4.4736 -4.4736 -4.4649 -4.4649 -4.4586 -4.4586 -4.4523 -4.4523 -0.4904 -0.4904 -0.4740 -0.4740 2.7126 2.7126 2.7713 2.7713 3.8325 3.8325 3.8409 3.8409 4.4070 4.4070 4.5128 4.5128 7.0372 7.0372 7.4050 7.4050 9.1372 9.1372 9.4175 9.4175 k =-0.4083 0.4362 0.6538 ( 5318 PWs) bands (ev): -6.8696 -6.8696 -6.8692 -6.8692 -6.6790 -6.6790 -6.6705 -6.6705 -6.5297 -6.5297 -6.5175 -6.5175 -4.5206 -4.5206 -4.5182 -4.5182 -4.4739 -4.4739 -4.4679 -4.4679 -4.4607 -4.4607 -4.4563 -4.4563 -0.5193 -0.5193 -0.5043 -0.5043 2.7890 2.7890 2.8436 2.8436 3.8690 3.8690 3.8706 3.8706 4.4563 4.4563 4.5698 4.5698 6.9825 6.9825 7.3415 7.3415 9.0863 9.0863 9.3472 9.3472 k =-0.4153 0.4162 0.6538 ( 5326 PWs) bands (ev): -6.8627 -6.8627 -6.8624 -6.8624 -6.6790 -6.6790 -6.6702 -6.6702 -6.5398 -6.5398 -6.5285 -6.5285 -4.5210 -4.5210 -4.5185 -4.5185 -4.4744 -4.4744 -4.4712 -4.4712 -4.4622 -4.4622 -4.4600 -4.4600 -0.5462 -0.5462 -0.5325 -0.5325 2.8645 2.8645 2.9148 2.9148 3.8983 3.8983 3.9035 3.9035 4.5039 4.5039 4.6247 4.6247 6.9301 6.9301 7.2789 7.2789 9.0364 9.0364 9.2782 9.2782 k =-0.4224 0.3963 0.6538 ( 5334 PWs) bands (ev): -6.8562 -6.8562 -6.8552 -6.8552 -6.6789 -6.6789 -6.6698 -6.6698 -6.5500 -6.5500 -6.5394 -6.5394 -4.5214 -4.5214 -4.5188 -4.5188 -4.4750 -4.4750 -4.4745 -4.4745 -4.4633 -4.4633 -4.4633 -4.4633 -0.5711 -0.5711 -0.5587 -0.5587 2.9383 2.9383 2.9841 2.9841 3.9248 3.9248 3.9367 3.9367 4.5487 4.5487 4.6759 4.6759 6.8808 6.8808 7.2177 7.2177 8.9880 8.9880 9.2111 9.2111 k =-0.4294 0.3763 0.6538 ( 5338 PWs) bands (ev): -6.8496 -6.8496 -6.8480 -6.8480 -6.6787 -6.6787 -6.6693 -6.6693 -6.5601 -6.5601 -6.5501 -6.5501 -4.5218 -4.5218 -4.5191 -4.5191 -4.4777 -4.4777 -4.4760 -4.4760 -4.4660 -4.4660 -4.4643 -4.4643 -0.5940 -0.5940 -0.5828 -0.5828 3.0095 3.0095 3.0507 3.0507 3.9510 3.9510 3.9695 3.9695 4.5894 4.5894 4.7218 4.7218 6.8358 6.8358 7.1586 7.1586 8.9420 8.9420 9.1466 9.1466 k =-0.4365 0.3564 0.6538 ( 5334 PWs) bands (ev): -6.8431 -6.8431 -6.8409 -6.8409 -6.6784 -6.6784 -6.6687 -6.6687 -6.5700 -6.5700 -6.5606 -6.5606 -4.5221 -4.5221 -4.5195 -4.5195 -4.4806 -4.4806 -4.4774 -4.4774 -4.4680 -4.4680 -4.4651 -4.4651 -0.6147 -0.6147 -0.6048 -0.6048 3.0771 3.0771 3.1135 3.1135 3.9776 3.9776 4.0025 4.0025 4.6252 4.6252 4.7611 4.7611 6.7959 6.7959 7.1020 7.1020 8.8989 8.8989 9.0851 9.0851 k =-0.4436 0.3364 0.6538 ( 5328 PWs) bands (ev): -6.8366 -6.8366 -6.8341 -6.8341 -6.6780 -6.6780 -6.6681 -6.6681 -6.5797 -6.5797 -6.5708 -6.5708 -4.5224 -4.5224 -4.5199 -4.5199 -4.4832 -4.4832 -4.4792 -4.4792 -4.4692 -4.4692 -4.4659 -4.4659 -0.6333 -0.6333 -0.6246 -0.6246 3.1403 3.1403 3.1717 3.1717 4.0050 4.0050 4.0358 4.0358 4.6554 4.6554 4.7924 4.7924 6.7622 6.7622 7.0484 7.0484 8.8594 8.8594 9.0272 9.0272 k =-0.4506 0.3165 0.6538 ( 5336 PWs) bands (ev): -6.8304 -6.8304 -6.8276 -6.8276 -6.6774 -6.6774 -6.6673 -6.6673 -6.5891 -6.5891 -6.5805 -6.5805 -4.5227 -4.5227 -4.5203 -4.5203 -4.4855 -4.4855 -4.4813 -4.4813 -4.4700 -4.4700 -4.4666 -4.4666 -0.6497 -0.6497 -0.6421 -0.6421 3.1979 3.1979 3.2243 3.2243 4.0337 4.0337 4.0697 4.0697 4.6797 4.6797 4.8150 4.8150 6.7355 6.7355 6.9982 6.9982 8.8242 8.8242 8.9731 8.9731 k =-0.4577 0.2965 0.6538 ( 5340 PWs) bands (ev): -6.8245 -6.8245 -6.8215 -6.8215 -6.6765 -6.6765 -6.6665 -6.6665 -6.5979 -6.5979 -6.5897 -6.5897 -4.5229 -4.5229 -4.5207 -4.5207 -4.4874 -4.4874 -4.4833 -4.4833 -4.4704 -4.4704 -4.4673 -4.4673 -0.6639 -0.6639 -0.6575 -0.6575 3.2492 3.2492 3.2707 3.2707 4.0636 4.0636 4.1035 4.1035 4.6984 4.6984 4.8284 4.8284 6.7163 6.7163 6.9516 6.9516 8.7938 8.7938 8.9234 8.9234 k =-0.4647 0.2766 0.6538 ( 5330 PWs) bands (ev): -6.8189 -6.8189 -6.8160 -6.8160 -6.6754 -6.6754 -6.6656 -6.6656 -6.6061 -6.6061 -6.5983 -6.5983 -4.5230 -4.5230 -4.5211 -4.5211 -4.4889 -4.4889 -4.4853 -4.4853 -4.4706 -4.4706 -4.4679 -4.4679 -0.6759 -0.6759 -0.6705 -0.6705 3.2933 3.2933 3.3102 3.3102 4.0945 4.0945 4.1362 4.1362 4.7123 4.7123 4.8327 4.8327 6.7050 6.7050 6.9088 6.9088 8.7688 8.7688 8.8785 8.8785 k =-0.4718 0.2566 0.6538 ( 5334 PWs) bands (ev): -6.8140 -6.8140 -6.8113 -6.8113 -6.6741 -6.6741 -6.6648 -6.6648 -6.6132 -6.6132 -6.6060 -6.6060 -4.5231 -4.5231 -4.5215 -4.5215 -4.4901 -4.4901 -4.4870 -4.4870 -4.4706 -4.4706 -4.4684 -4.4684 -0.6856 -0.6856 -0.6814 -0.6814 3.3298 3.3298 3.3424 3.3424 4.1254 4.1254 4.1661 4.1661 4.7227 4.7227 4.8288 4.8288 6.7012 6.7012 6.8697 6.8697 8.7498 8.7498 8.8388 8.8388 k =-0.4788 0.2367 0.6538 ( 5330 PWs) bands (ev): -6.8098 -6.8098 -6.8076 -6.8076 -6.6723 -6.6723 -6.6643 -6.6643 -6.6191 -6.6191 -6.6128 -6.6128 -4.5231 -4.5231 -4.5219 -4.5219 -4.4909 -4.4909 -4.4885 -4.4885 -4.4706 -4.4706 -4.4689 -4.4689 -0.6931 -0.6931 -0.6899 -0.6899 3.3584 3.3584 3.3673 3.3673 4.1550 4.1550 4.1910 4.1910 4.7316 4.7316 4.8181 4.8181 6.7046 6.7046 6.8343 6.8343 8.7371 8.7371 8.8047 8.8047 k =-0.4859 0.2168 0.6538 ( 5328 PWs) bands (ev): -6.8065 -6.8065 -6.8049 -6.8049 -6.6704 -6.6704 -6.6642 -6.6642 -6.6233 -6.6233 -6.6184 -6.6184 -4.5231 -4.5231 -4.5222 -4.5222 -4.4913 -4.4913 -4.4897 -4.4897 -4.4705 -4.4705 -4.4693 -4.4693 -0.6983 -0.6983 -0.6962 -0.6962 3.3790 3.3790 3.3847 3.3847 4.1811 4.1811 4.2084 4.2084 4.7411 4.7411 4.8028 4.8028 6.7143 6.7143 6.8024 6.8024 8.7312 8.7312 8.7767 8.7767 k =-0.4929 0.1968 0.6538 ( 5328 PWs) bands (ev): -6.8043 -6.8043 -6.8034 -6.8034 -6.6683 -6.6683 -6.6649 -6.6649 -6.6253 -6.6253 -6.6226 -6.6226 -4.5230 -4.5230 -4.5225 -4.5225 -4.4914 -4.4914 -4.4906 -4.4906 -4.4703 -4.4703 -4.4697 -4.4697 -0.7012 -0.7012 -0.7001 -0.7001 3.3919 3.3919 3.3946 3.3946 4.2015 4.2015 4.2163 4.2163 4.7531 4.7531 4.7852 4.7852 6.7297 6.7297 6.7742 6.7742 8.7322 8.7322 8.7551 8.7551 k =-0.5000 0.1769 0.6538 ( 5336 PWs) bands (ev): -6.8032 -6.8032 -6.8032 -6.8032 -6.6663 -6.6663 -6.6663 -6.6663 -6.6250 -6.6250 -6.6250 -6.6250 -4.5228 -4.5228 -4.5228 -4.5228 -4.4911 -4.4911 -4.4911 -4.4911 -4.4700 -4.4700 -4.4700 -4.4700 -0.7018 -0.7018 -0.7018 -0.7018 3.3970 3.3970 3.3970 3.3970 4.2138 4.2138 4.2138 4.2138 4.7680 4.7680 4.7680 4.7680 6.7499 6.7499 6.7499 6.7499 8.7402 8.7402 8.7402 8.7402 k =-0.5000 0.1769 0.6538 ( 5336 PWs) bands (ev): -6.8032 -6.8032 -6.8032 -6.8032 -6.6663 -6.6663 -6.6663 -6.6663 -6.6250 -6.6250 -6.6250 -6.6250 -4.5228 -4.5228 -4.5228 -4.5228 -4.4911 -4.4911 -4.4911 -4.4911 -4.4700 -4.4700 -4.4700 -4.4700 -0.7018 -0.7018 -0.7018 -0.7018 3.3970 3.3970 3.3970 3.3970 4.2138 4.2138 4.2138 4.2138 4.7680 4.7680 4.7680 4.7680 6.7499 6.7499 6.7499 6.7499 8.7402 8.7402 8.7402 8.7402 k =-0.5000 0.1769 0.6320 ( 5324 PWs) bands (ev): -6.8094 -6.8094 -6.7976 -6.7976 -6.6670 -6.6670 -6.6656 -6.6656 -6.6320 -6.6320 -6.6181 -6.6181 -4.5234 -4.5234 -4.5221 -4.5221 -4.4923 -4.4923 -4.4898 -4.4898 -4.4712 -4.4712 -4.4688 -4.4688 -0.7169 -0.7169 -0.6832 -0.6832 3.3776 3.3776 3.4139 3.4139 4.1999 4.1999 4.2244 4.2244 4.7269 4.7269 4.8063 4.8063 6.6945 6.6945 6.8084 6.8084 8.7299 8.7299 8.7558 8.7558 k =-0.5000 0.1769 0.6102 ( 5324 PWs) bands (ev): -6.8161 -6.8161 -6.7926 -6.7926 -6.6676 -6.6676 -6.6649 -6.6649 -6.6387 -6.6387 -6.6112 -6.6112 -4.5239 -4.5239 -4.5215 -4.5215 -4.4933 -4.4933 -4.4884 -4.4884 -4.4723 -4.4723 -4.4675 -4.4675 -0.7287 -0.7287 -0.6612 -0.6612 3.3556 3.3556 3.4281 3.4281 4.1829 4.1829 4.2313 4.2313 4.6852 4.6852 4.8397 4.8397 6.6445 6.6445 6.8683 6.8683 8.7255 8.7255 8.7762 8.7762 k =-0.5000 0.1769 0.5885 ( 5324 PWs) bands (ev): -6.8232 -6.8232 -6.7884 -6.7884 -6.6683 -6.6683 -6.6642 -6.6642 -6.6452 -6.6452 -6.6045 -6.6045 -4.5244 -4.5244 -4.5208 -4.5208 -4.4942 -4.4942 -4.4870 -4.4870 -4.4732 -4.4732 -4.4661 -4.4661 -0.7370 -0.7370 -0.6356 -0.6356 3.3313 3.3313 3.4396 3.4396 4.1629 4.1629 4.2339 4.2339 4.6447 4.6447 4.8661 4.8661 6.6020 6.6020 6.9281 6.9281 8.7274 8.7274 8.8009 8.8009 k =-0.5000 0.1769 0.5667 ( 5318 PWs) bands (ev): -6.8307 -6.8307 -6.7852 -6.7852 -6.6691 -6.6691 -6.6634 -6.6634 -6.6510 -6.6510 -6.5980 -6.5980 -4.5249 -4.5249 -4.5200 -4.5200 -4.4950 -4.4950 -4.4855 -4.4855 -4.4741 -4.4741 -4.4647 -4.4647 -0.7421 -0.7421 -0.6066 -0.6066 3.3047 3.3047 3.4482 3.4482 4.1399 4.1399 4.2317 4.2317 4.6075 4.6075 4.8833 4.8833 6.5692 6.5692 6.9863 6.9863 8.7360 8.7360 8.8294 8.8294 k =-0.5000 0.1769 0.5449 ( 5322 PWs) bands (ev): -6.8384 -6.8384 -6.7830 -6.7830 -6.6701 -6.6701 -6.6628 -6.6628 -6.6558 -6.6558 -6.5918 -6.5918 -4.5253 -4.5253 -4.5193 -4.5193 -4.4956 -4.4956 -4.4840 -4.4840 -4.4748 -4.4748 -4.4631 -4.4631 -0.7440 -0.7440 -0.5741 -0.5741 3.2761 3.2761 3.4538 3.4538 4.1136 4.1136 4.2245 4.2245 4.5749 4.5749 4.8897 4.8897 6.5480 6.5480 7.0421 7.0421 8.7514 8.7514 8.8614 8.8614 k =-0.5000 0.1769 0.5231 ( 5324 PWs) bands (ev): -6.8464 -6.8464 -6.7821 -6.7821 -6.6716 -6.6716 -6.6630 -6.6630 -6.6585 -6.6585 -6.5858 -6.5858 -4.5257 -4.5257 -4.5185 -4.5185 -4.4961 -4.4961 -4.4828 -4.4828 -4.4752 -4.4752 -4.4615 -4.4615 -0.7429 -0.7429 -0.5383 -0.5383 3.2455 3.2455 3.4565 3.4565 4.0838 4.0838 4.2125 4.2125 4.5478 4.5478 4.8841 4.8841 6.5399 6.5399 7.0946 7.0946 8.7738 8.7738 8.8968 8.8968 k =-0.5000 0.1769 0.5013 ( 5324 PWs) bands (ev): -6.8544 -6.8544 -6.7825 -6.7825 -6.6735 -6.6735 -6.6645 -6.6645 -6.6586 -6.6586 -6.5802 -6.5802 -4.5260 -4.5260 -4.5177 -4.5177 -4.4964 -4.4964 -4.4820 -4.4820 -4.4752 -4.4752 -4.4598 -4.4598 -0.7387 -0.7387 -0.4991 -0.4991 3.2132 3.2132 3.4561 3.4561 4.0503 4.0503 4.1966 4.1966 4.5263 4.5263 4.8660 4.8660 6.5455 6.5455 7.1435 7.1435 8.8028 8.8028 8.9354 8.9354 k =-0.5000 0.1769 0.4795 ( 5318 PWs) bands (ev): -6.8627 -6.8627 -6.7843 -6.7843 -6.6755 -6.6755 -6.6658 -6.6658 -6.6576 -6.6576 -6.5749 -6.5749 -4.5262 -4.5262 -4.5169 -4.5169 -4.4967 -4.4967 -4.4817 -4.4817 -4.4745 -4.4745 -4.4579 -4.4579 -0.7318 -0.7318 -0.4566 -0.4566 3.1794 3.1794 3.4525 3.4525 4.0131 4.0131 4.1780 4.1780 4.5096 4.5096 4.8360 4.8360 6.5646 6.5646 7.1888 7.1888 8.8379 8.8379 8.9776 8.9776 k =-0.5000 0.1769 0.4577 ( 5316 PWs) bands (ev): -6.8709 -6.8709 -6.7874 -6.7874 -6.6773 -6.6773 -6.6666 -6.6666 -6.6562 -6.6562 -6.5700 -6.5700 -4.5264 -4.5264 -4.5161 -4.5161 -4.4969 -4.4969 -4.4819 -4.4819 -4.4734 -4.4734 -4.4560 -4.4560 -0.7222 -0.7222 -0.4110 -0.4110 3.1442 3.1442 3.4456 3.4456 3.9726 3.9726 4.1580 4.1580 4.4967 4.4967 4.7954 4.7954 6.5960 6.5960 7.2307 7.2307 8.8783 8.8783 9.0235 9.0235 k =-0.5000 0.1769 0.4359 ( 5316 PWs) bands (ev): -6.8792 -6.8792 -6.7918 -6.7918 -6.6785 -6.6785 -6.6672 -6.6672 -6.6546 -6.6546 -6.5654 -6.5654 -4.5264 -4.5264 -4.5152 -4.5152 -4.4970 -4.4970 -4.4824 -4.4824 -4.4719 -4.4719 -4.4540 -4.4540 -0.7102 -0.7102 -0.3623 -0.3623 3.1078 3.1078 3.4353 3.4353 3.9292 3.9292 4.1376 4.1376 4.4861 4.4861 4.7460 4.7460 6.6379 6.6379 7.2697 7.2697 8.9230 8.9230 9.0736 9.0736 k =-0.5000 0.1769 0.4141 ( 5308 PWs) bands (ev): -6.8874 -6.8874 -6.7971 -6.7971 -6.6793 -6.6793 -6.6676 -6.6676 -6.6528 -6.6528 -6.5611 -6.5611 -4.5264 -4.5264 -4.5144 -4.5144 -4.4971 -4.4971 -4.4830 -4.4830 -4.4703 -4.4703 -4.4520 -4.4520 -0.6959 -0.6959 -0.3107 -0.3107 3.0705 3.0705 3.4213 3.4213 3.8838 3.8838 4.1173 4.1173 4.4769 4.4769 4.6903 4.6903 6.6882 6.6882 7.3069 7.3069 8.9708 8.9708 9.1282 9.1282 k =-0.5000 0.1769 0.3923 ( 5312 PWs) bands (ev): -6.8956 -6.8956 -6.8033 -6.8033 -6.6795 -6.6795 -6.6679 -6.6679 -6.6510 -6.6510 -6.5572 -6.5572 -4.5263 -4.5263 -4.5135 -4.5135 -4.4971 -4.4971 -4.4837 -4.4837 -4.4687 -4.4687 -4.4499 -4.4499 -0.6795 -0.6795 -0.2565 -0.2565 3.0325 3.0325 3.4036 3.4036 3.8370 3.8370 4.0975 4.0975 4.4679 4.4679 4.6307 4.6307 6.7443 6.7443 7.3437 7.3437 9.0205 9.0205 9.1874 9.1874 k =-0.5000 0.1769 0.3705 ( 5318 PWs) bands (ev): -6.9036 -6.9036 -6.8101 -6.8101 -6.6795 -6.6795 -6.6682 -6.6682 -6.6490 -6.6490 -6.5537 -6.5537 -4.5262 -4.5262 -4.5127 -4.5127 -4.4972 -4.4972 -4.4844 -4.4844 -4.4671 -4.4671 -4.4478 -4.4478 -0.6613 -0.6613 -0.1997 -0.1997 2.9941 2.9941 3.3818 3.3818 3.7896 3.7896 4.0783 4.0783 4.4575 4.4575 4.5707 4.5707 6.8035 6.8035 7.3817 7.3817 9.0708 9.0708 9.2513 9.2513 k =-0.5000 0.1769 0.3487 ( 5322 PWs) bands (ev): -6.9115 -6.9115 -6.8173 -6.8173 -6.6792 -6.6792 -6.6684 -6.6684 -6.6469 -6.6469 -6.5504 -6.5504 -4.5259 -4.5259 -4.5118 -4.5118 -4.4973 -4.4973 -4.4850 -4.4850 -4.4655 -4.4655 -4.4456 -4.4456 -0.6416 -0.6416 -0.1406 -0.1406 2.9554 2.9554 3.3557 3.3557 3.7422 3.7422 4.0597 4.0597 4.4413 4.4413 4.5163 4.5163 6.8627 6.8627 7.4231 7.4231 9.1207 9.1207 9.3195 9.3195 k =-0.5000 0.1769 0.3269 ( 5328 PWs) bands (ev): -6.9191 -6.9191 -6.8247 -6.8247 -6.6787 -6.6787 -6.6686 -6.6686 -6.6447 -6.6447 -6.5475 -6.5475 -4.5256 -4.5256 -4.5110 -4.5110 -4.4975 -4.4975 -4.4856 -4.4856 -4.4640 -4.4640 -4.4435 -4.4435 -0.6205 -0.6205 -0.0796 -0.0796 2.9168 2.9168 3.3250 3.3250 3.6953 3.6953 4.0417 4.0417 4.4088 4.4088 4.4798 4.4798 6.9190 6.9190 7.4702 7.4702 9.1691 9.1691 9.3913 9.3913 k =-0.5000 0.1769 0.3051 ( 5346 PWs) bands (ev): -6.9265 -6.9265 -6.8321 -6.8321 -6.6782 -6.6782 -6.6688 -6.6688 -6.6426 -6.6426 -6.5448 -6.5448 -4.5252 -4.5252 -4.5102 -4.5102 -4.4978 -4.4978 -4.4861 -4.4861 -4.4625 -4.4625 -4.4414 -4.4414 -0.5985 -0.5985 -0.0169 -0.0169 2.8784 2.8784 3.2893 3.2893 3.6495 3.6495 4.0242 4.0242 4.3604 4.3604 4.4620 4.4620 6.9697 6.9697 7.5253 7.5253 9.2149 9.2149 9.4658 9.4658 k =-0.5000 0.1769 0.2833 ( 5342 PWs) bands (ev): -6.9335 -6.9335 -6.8395 -6.8395 -6.6776 -6.6776 -6.6689 -6.6689 -6.6405 -6.6405 -6.5424 -6.5424 -4.5248 -4.5248 -4.5094 -4.5094 -4.4982 -4.4982 -4.4865 -4.4865 -4.4611 -4.4611 -4.4393 -4.4393 -0.5758 -0.5758 0.0471 0.0471 2.8407 2.8407 3.2486 3.2486 3.6055 3.6055 4.0072 4.0072 4.3092 4.3092 4.4512 4.4512 7.0128 7.0128 7.5898 7.5898 9.2569 9.2569 9.5420 9.5420 k =-0.5000 0.1769 0.2615 ( 5338 PWs) bands (ev): -6.9403 -6.9403 -6.8467 -6.8467 -6.6770 -6.6770 -6.6691 -6.6691 -6.6383 -6.6383 -6.5403 -6.5403 -4.5242 -4.5242 -4.5086 -4.5086 -4.4987 -4.4987 -4.4868 -4.4868 -4.4597 -4.4597 -4.4374 -4.4374 -0.5528 -0.5528 0.1120 0.1120 2.8039 2.8039 3.2027 3.2027 3.5638 3.5638 3.9907 3.9907 4.2609 4.2609 4.4427 4.4427 7.0477 7.0477 7.6640 7.6640 9.2936 9.2936 9.6187 9.6187 k =-0.5000 0.1769 0.2397 ( 5340 PWs) bands (ev): -6.9466 -6.9466 -6.8536 -6.8536 -6.6764 -6.6764 -6.6692 -6.6692 -6.6363 -6.6363 -6.5384 -6.5384 -4.5236 -4.5236 -4.5078 -4.5078 -4.4993 -4.4993 -4.4871 -4.4871 -4.4584 -4.4584 -4.4355 -4.4355 -0.5297 -0.5297 0.1772 0.1772 2.7684 2.7684 3.1519 3.1519 3.5250 3.5250 3.9747 3.9747 4.2174 4.2174 4.4352 4.4352 7.0747 7.0747 7.7474 7.7474 9.3233 9.3233 9.6946 9.6946 k =-0.5000 0.1769 0.2179 ( 5324 PWs) bands (ev): -6.9525 -6.9525 -6.8601 -6.8601 -6.6758 -6.6758 -6.6694 -6.6694 -6.6343 -6.6343 -6.5368 -6.5368 -4.5229 -4.5229 -4.5071 -4.5071 -4.4999 -4.4999 -4.4873 -4.4873 -4.4571 -4.4571 -4.4337 -4.4337 -0.5070 -0.5070 0.2422 0.2422 2.7344 2.7344 3.0971 3.0971 3.4895 3.4895 3.9592 3.9592 4.1793 4.1793 4.4281 4.4281 7.0949 7.0949 7.8384 7.8384 9.3442 9.3442 9.7682 9.7682 k =-0.5000 0.1769 0.1962 ( 5310 PWs) bands (ev): -6.9580 -6.9580 -6.8663 -6.8663 -6.6752 -6.6752 -6.6695 -6.6695 -6.6325 -6.6325 -6.5353 -6.5353 -4.5222 -4.5222 -4.5065 -4.5065 -4.5007 -4.5007 -4.4874 -4.4874 -4.4560 -4.4560 -4.4321 -4.4321 -0.4849 -0.4849 0.3061 0.3061 2.7023 2.7023 3.0393 3.0393 3.4574 3.4574 3.9445 3.9445 4.1467 4.1467 4.4216 4.4216 7.1097 7.1097 7.9356 7.9356 9.3545 9.3545 9.8382 9.8382 k =-0.5000 0.1769 0.1744 ( 5310 PWs) bands (ev): -6.9629 -6.9629 -6.8719 -6.8719 -6.6747 -6.6747 -6.6696 -6.6696 -6.6308 -6.6308 -6.5341 -6.5341 -4.5214 -4.5214 -4.5059 -4.5059 -4.5014 -4.5014 -4.4875 -4.4875 -4.4549 -4.4549 -4.4305 -4.4305 -0.4640 -0.4640 0.3683 0.3683 2.6726 2.6726 2.9800 2.9800 3.4288 3.4288 3.9307 3.9307 4.1193 4.1193 4.4155 4.4155 7.1203 7.1203 8.0372 8.0372 9.3527 9.3527 9.9031 9.9031 k =-0.5000 0.1769 0.1526 ( 5306 PWs) bands (ev): -6.9674 -6.9674 -6.8770 -6.8770 -6.6742 -6.6742 -6.6698 -6.6698 -6.6293 -6.6293 -6.5330 -6.5330 -4.5206 -4.5206 -4.5055 -4.5055 -4.5021 -4.5021 -4.4875 -4.4875 -4.4540 -4.4540 -4.4292 -4.4292 -0.4444 -0.4444 0.4276 0.4276 2.6455 2.6455 2.9208 2.9208 3.4038 3.4038 3.9179 3.9179 4.0966 4.0966 4.4099 4.4099 7.1277 7.1277 8.1418 8.1418 9.3378 9.3378 9.9618 9.9618 k =-0.5000 0.1769 0.1308 ( 5310 PWs) bands (ev): -6.9713 -6.9713 -6.8815 -6.8815 -6.6737 -6.6737 -6.6700 -6.6700 -6.6280 -6.6280 -6.5321 -6.5321 -4.5197 -4.5197 -4.5054 -4.5054 -4.5026 -4.5026 -4.4876 -4.4876 -4.4532 -4.4532 -4.4280 -4.4280 -0.4266 -0.4266 0.4831 0.4831 2.6213 2.6213 2.8638 2.8638 3.3822 3.3822 3.9064 3.9064 4.0782 4.0782 4.4049 4.4049 7.1327 7.1327 8.2481 8.2481 9.3096 9.3096 10.0137 10.0137 k =-0.5000 0.1769 0.1090 ( 5310 PWs) bands (ev): -6.9747 -6.9747 -6.8853 -6.8853 -6.6733 -6.6733 -6.6702 -6.6702 -6.6268 -6.6268 -6.5314 -6.5314 -4.5189 -4.5189 -4.5057 -4.5057 -4.5028 -4.5028 -4.4876 -4.4876 -4.4525 -4.4525 -4.4270 -4.4270 -0.4110 -0.4110 0.5335 0.5335 2.6006 2.6006 2.8106 2.8106 3.3641 3.3641 3.8964 3.8964 4.0634 4.0634 4.4006 4.4006 7.1361 7.1361 8.3547 8.3547 9.2685 9.2685 10.0590 10.0590 k =-0.5000 0.1769 0.0872 ( 5296 PWs) bands (ev): -6.9774 -6.9774 -6.8885 -6.8885 -6.6728 -6.6728 -6.6703 -6.6703 -6.6258 -6.6258 -6.5308 -6.5308 -4.5181 -4.5181 -4.5063 -4.5063 -4.5028 -4.5028 -4.4876 -4.4876 -4.4519 -4.4519 -4.4261 -4.4261 -0.3977 -0.3977 0.5773 0.5773 2.5834 2.5834 2.7633 2.7633 3.3493 3.3493 3.8880 3.8880 4.0520 4.0520 4.3969 4.3969 7.1382 7.1382 8.4604 8.4604 9.2159 9.2159 10.0982 10.0982 k =-0.5000 0.1769 0.0654 ( 5304 PWs) bands (ev): -6.9796 -6.9796 -6.8911 -6.8911 -6.6725 -6.6725 -6.6706 -6.6706 -6.6251 -6.6251 -6.5303 -6.5303 -4.5173 -4.5173 -4.5069 -4.5069 -4.5026 -4.5026 -4.4876 -4.4876 -4.4514 -4.4514 -4.4255 -4.4255 -0.3870 -0.3870 0.6134 0.6134 2.5702 2.5702 2.7238 2.7238 3.3378 3.3378 3.8814 3.8814 4.0434 4.0434 4.3940 4.3940 7.1396 7.1396 8.5633 8.5633 9.1536 9.1536 10.1320 10.1320 k =-0.5000 0.1769 0.0436 ( 5296 PWs) bands (ev): -6.9812 -6.9812 -6.8929 -6.8929 -6.6721 -6.6721 -6.6708 -6.6708 -6.6245 -6.6245 -6.5300 -6.5300 -4.5166 -4.5166 -4.5076 -4.5076 -4.5025 -4.5025 -4.4877 -4.4877 -4.4511 -4.4511 -4.4250 -4.4250 -0.3793 -0.3793 0.6403 0.6403 2.5609 2.5609 2.6938 2.6938 3.3296 3.3296 3.8766 3.8766 4.0374 4.0374 4.3919 4.3919 7.1403 7.1403 8.6603 8.6603 9.0853 9.0853 10.1615 10.1615 k =-0.5000 0.1769 0.0218 ( 5298 PWs) bands (ev): -6.9821 -6.9821 -6.8940 -6.8940 -6.6719 -6.6719 -6.6710 -6.6710 -6.6242 -6.6242 -6.5298 -6.5298 -4.5162 -4.5162 -4.5080 -4.5080 -4.5024 -4.5024 -4.4877 -4.4877 -4.4509 -4.4509 -4.4247 -4.4247 -0.3746 -0.3746 0.6569 0.6569 2.5555 2.5555 2.6751 2.6751 3.3247 3.3247 3.8737 3.8737 4.0339 4.0339 4.3906 4.3906 7.1407 7.1407 8.7434 8.7434 9.0192 9.0192 10.1872 10.1872 k =-0.5000 0.1769-0.0000 ( 5292 PWs) bands (ev): -6.9824 -6.9824 -6.8943 -6.8943 -6.6718 -6.6718 -6.6711 -6.6711 -6.6241 -6.6241 -6.5298 -6.5298 -4.5160 -4.5160 -4.5082 -4.5082 -4.5023 -4.5023 -4.4877 -4.4877 -4.4508 -4.4508 -4.4246 -4.4246 -0.3730 -0.3730 0.6625 0.6625 2.5537 2.5537 2.6686 2.6686 3.3231 3.3231 3.8727 3.8727 4.0328 4.0328 4.3902 4.3902 7.1409 7.1409 8.7834 8.7834 8.9848 8.9848 10.2049 10.2049 k = 0.0000 0.0000 0.6538 ( 5294 PWs) bands (ev): -6.8767 -6.8767 -6.8767 -6.8767 -6.6730 -6.6730 -6.6730 -6.6730 -6.5706 -6.5706 -6.5706 -6.5706 -4.5183 -4.5183 -4.5183 -4.5183 -4.4887 -4.4887 -4.4887 -4.4887 -4.4548 -4.4548 -4.4548 -4.4548 -0.3053 -0.3053 -0.3053 -0.3053 2.5596 2.5596 2.5596 2.5596 3.8497 3.8497 3.8497 3.8497 4.7756 4.7756 4.7756 4.7756 7.3557 7.3557 7.3557 7.3557 8.6415 8.6415 8.6415 8.6415 k =-0.0200 0.0071 0.6538 ( 5292 PWs) bands (ev): -6.8765 -6.8765 -6.8765 -6.8765 -6.6730 -6.6730 -6.6730 -6.6730 -6.5708 -6.5708 -6.5708 -6.5708 -4.5183 -4.5183 -4.5183 -4.5183 -4.4887 -4.4887 -4.4887 -4.4887 -4.4548 -4.4548 -4.4548 -4.4548 -0.3073 -0.3073 -0.3073 -0.3073 2.5638 2.5638 2.5638 2.5638 3.8498 3.8498 3.8498 3.8498 4.7753 4.7753 4.7753 4.7753 7.3553 7.3553 7.3553 7.3553 8.6424 8.6424 8.6424 8.6424 k =-0.0400 0.0141 0.6538 ( 5308 PWs) bands (ev): -6.8758 -6.8758 -6.8758 -6.8758 -6.6730 -6.6730 -6.6730 -6.6730 -6.5712 -6.5712 -6.5712 -6.5712 -4.5183 -4.5183 -4.5183 -4.5183 -4.4887 -4.4887 -4.4887 -4.4887 -4.4551 -4.4551 -4.4551 -4.4551 -0.3131 -0.3131 -0.3131 -0.3131 2.5760 2.5760 2.5760 2.5760 3.8503 3.8503 3.8503 3.8503 4.7747 4.7747 4.7747 4.7747 7.3539 7.3539 7.3539 7.3539 8.6453 8.6453 8.6453 8.6453 k =-0.0600 0.0212 0.6538 ( 5300 PWs) bands (ev): -6.8746 -6.8746 -6.8746 -6.8746 -6.6729 -6.6729 -6.6729 -6.6729 -6.5720 -6.5720 -6.5720 -6.5720 -4.5184 -4.5184 -4.5184 -4.5184 -4.4888 -4.4888 -4.4888 -4.4888 -4.4554 -4.4554 -4.4554 -4.4554 -0.3226 -0.3226 -0.3226 -0.3226 2.5962 2.5962 2.5962 2.5962 3.8512 3.8512 3.8512 3.8512 4.7737 4.7737 4.7737 4.7737 7.3515 7.3515 7.3515 7.3515 8.6500 8.6500 8.6500 8.6500 k =-0.0800 0.0283 0.6538 ( 5304 PWs) bands (ev): -6.8729 -6.8729 -6.8729 -6.8729 -6.6728 -6.6728 -6.6728 -6.6728 -6.5730 -6.5730 -6.5730 -6.5730 -4.5185 -4.5185 -4.5185 -4.5185 -4.4888 -4.4888 -4.4888 -4.4888 -4.4558 -4.4558 -4.4558 -4.4558 -0.3354 -0.3354 -0.3354 -0.3354 2.6238 2.6238 2.6238 2.6238 3.8526 3.8526 3.8526 3.8526 4.7722 4.7722 4.7722 4.7722 7.3479 7.3479 7.3479 7.3479 8.6564 8.6564 8.6564 8.6564 k =-0.1000 0.0354 0.6538 ( 5306 PWs) bands (ev): -6.8708 -6.8708 -6.8708 -6.8708 -6.6728 -6.6728 -6.6728 -6.6728 -6.5743 -6.5743 -6.5743 -6.5743 -4.5186 -4.5186 -4.5186 -4.5186 -4.4888 -4.4888 -4.4888 -4.4888 -4.4564 -4.4564 -4.4564 -4.4564 -0.3514 -0.3514 -0.3514 -0.3514 2.6583 2.6583 2.6584 2.6584 3.8546 3.8546 3.8546 3.8546 4.7705 4.7705 4.7705 4.7705 7.3427 7.3427 7.3427 7.3427 8.6642 8.6642 8.6642 8.6642 k =-0.1200 0.0424 0.6538 ( 5306 PWs) bands (ev): -6.8683 -6.8683 -6.8683 -6.8683 -6.6727 -6.6727 -6.6727 -6.6727 -6.5759 -6.5759 -6.5759 -6.5759 -4.5187 -4.5187 -4.5187 -4.5187 -4.4889 -4.4889 -4.4889 -4.4889 -4.4571 -4.4571 -4.4571 -4.4571 -0.3700 -0.3700 -0.3700 -0.3700 2.6992 2.6992 2.6992 2.6992 3.8573 3.8573 3.8573 3.8573 4.7684 4.7684 4.7684 4.7684 7.3355 7.3355 7.3355 7.3355 8.6730 8.6730 8.6730 8.6730 k =-0.1400 0.0495 0.6538 ( 5312 PWs) bands (ev): -6.8653 -6.8653 -6.8653 -6.8653 -6.6725 -6.6725 -6.6725 -6.6725 -6.5778 -6.5778 -6.5778 -6.5778 -4.5189 -4.5189 -4.5189 -4.5189 -4.4890 -4.4890 -4.4890 -4.4890 -4.4579 -4.4579 -4.4579 -4.4579 -0.3908 -0.3908 -0.3908 -0.3908 2.7454 2.7454 2.7454 2.7454 3.8611 3.8611 3.8611 3.8611 4.7661 4.7661 4.7661 4.7661 7.3260 7.3260 7.3260 7.3260 8.6827 8.6827 8.6827 8.6827 k =-0.1600 0.0566 0.6538 ( 5316 PWs) bands (ev): -6.8620 -6.8620 -6.8620 -6.8620 -6.6724 -6.6724 -6.6724 -6.6724 -6.5800 -6.5800 -6.5800 -6.5800 -4.5191 -4.5191 -4.5191 -4.5191 -4.4890 -4.4890 -4.4890 -4.4890 -4.4587 -4.4587 -4.4587 -4.4587 -0.4134 -0.4134 -0.4134 -0.4134 2.7962 2.7962 2.7962 2.7962 3.8661 3.8661 3.8661 3.8661 4.7637 4.7637 4.7637 4.7637 7.3135 7.3135 7.3135 7.3135 8.6927 8.6927 8.6927 8.6927 k =-0.1800 0.0637 0.6538 ( 5320 PWs) bands (ev): -6.8584 -6.8584 -6.8584 -6.8584 -6.6722 -6.6722 -6.6722 -6.6722 -6.5824 -6.5824 -6.5824 -6.5824 -4.5193 -4.5193 -4.5193 -4.5193 -4.4891 -4.4891 -4.4891 -4.4891 -4.4596 -4.4596 -4.4596 -4.4596 -0.4372 -0.4372 -0.4372 -0.4372 2.8505 2.8505 2.8505 2.8505 3.8727 3.8727 3.8727 3.8727 4.7612 4.7612 4.7612 4.7612 7.2977 7.2977 7.2977 7.2977 8.7026 8.7026 8.7026 8.7026 k =-0.2000 0.0707 0.6538 ( 5326 PWs) bands (ev): -6.8545 -6.8545 -6.8545 -6.8545 -6.6720 -6.6720 -6.6720 -6.6720 -6.5850 -6.5850 -6.5850 -6.5850 -4.5195 -4.5195 -4.5195 -4.5195 -4.4892 -4.4892 -4.4892 -4.4892 -4.4606 -4.4606 -4.4606 -4.4606 -0.4618 -0.4618 -0.4618 -0.4618 2.9071 2.9071 2.9072 2.9072 3.8812 3.8812 3.8812 3.8812 4.7587 4.7587 4.7587 4.7587 7.2779 7.2779 7.2779 7.2779 8.7119 8.7119 8.7119 8.7119 k =-0.2200 0.0778 0.6538 ( 5316 PWs) bands (ev): -6.8503 -6.8503 -6.8503 -6.8503 -6.6718 -6.6718 -6.6718 -6.6718 -6.5878 -6.5878 -6.5878 -6.5878 -4.5197 -4.5197 -4.5197 -4.5197 -4.4893 -4.4893 -4.4893 -4.4893 -4.4616 -4.4616 -4.4616 -4.4616 -0.4867 -0.4867 -0.4867 -0.4867 2.9650 2.9650 2.9650 2.9650 3.8921 3.8921 3.8921 3.8921 4.7563 4.7563 4.7563 4.7563 7.2539 7.2539 7.2539 7.2539 8.7203 8.7203 8.7203 8.7203 k =-0.2400 0.0849 0.6538 ( 5320 PWs) bands (ev): -6.8459 -6.8459 -6.8459 -6.8459 -6.6715 -6.6715 -6.6715 -6.6715 -6.5909 -6.5909 -6.5909 -6.5909 -4.5200 -4.5200 -4.5200 -4.5200 -4.4894 -4.4894 -4.4894 -4.4894 -4.4625 -4.4625 -4.4625 -4.4625 -0.5116 -0.5116 -0.5116 -0.5116 3.0228 3.0228 3.0228 3.0228 3.9057 3.9057 3.9057 3.9057 4.7541 4.7541 4.7541 4.7541 7.2252 7.2252 7.2252 7.2252 8.7274 8.7274 8.7274 8.7274 k =-0.2600 0.0920 0.6538 ( 5322 PWs) bands (ev): -6.8414 -6.8414 -6.8414 -6.8414 -6.6712 -6.6712 -6.6712 -6.6712 -6.5941 -6.5941 -6.5941 -6.5941 -4.5203 -4.5203 -4.5203 -4.5203 -4.4896 -4.4896 -4.4896 -4.4896 -4.4635 -4.4635 -4.4635 -4.4635 -0.5361 -0.5361 -0.5361 -0.5361 3.0792 3.0792 3.0792 3.0792 3.9227 3.9227 3.9227 3.9227 4.7522 4.7522 4.7522 4.7522 7.1917 7.1917 7.1917 7.1917 8.7329 8.7329 8.7329 8.7329 k =-0.2800 0.0990 0.6538 ( 5328 PWs) bands (ev): -6.8368 -6.8368 -6.8368 -6.8368 -6.6709 -6.6709 -6.6709 -6.6709 -6.5974 -6.5974 -6.5974 -6.5974 -4.5205 -4.5205 -4.5205 -4.5205 -4.4897 -4.4897 -4.4897 -4.4897 -4.4645 -4.4645 -4.4645 -4.4645 -0.5598 -0.5598 -0.5598 -0.5598 3.1329 3.1329 3.1329 3.1329 3.9432 3.9432 3.9432 3.9432 4.7507 4.7507 4.7508 4.7508 7.1535 7.1535 7.1535 7.1535 8.7368 8.7368 8.7368 8.7368 k =-0.3000 0.1061 0.6538 ( 5324 PWs) bands (ev): -6.8322 -6.8322 -6.8322 -6.8322 -6.6705 -6.6705 -6.6705 -6.6705 -6.6008 -6.6008 -6.6008 -6.6008 -4.5208 -4.5208 -4.5208 -4.5208 -4.4899 -4.4899 -4.4899 -4.4899 -4.4654 -4.4654 -4.4654 -4.4654 -0.5823 -0.5823 -0.5823 -0.5823 3.1828 3.1828 3.1828 3.1828 3.9674 3.9674 3.9674 3.9674 4.7498 4.7498 4.7498 4.7498 7.1111 7.1111 7.1111 7.1111 8.7393 8.7393 8.7393 8.7393 k =-0.3200 0.1132 0.6538 ( 5336 PWs) bands (ev): -6.8277 -6.8277 -6.8277 -6.8277 -6.6701 -6.6701 -6.6701 -6.6701 -6.6042 -6.6042 -6.6042 -6.6042 -4.5211 -4.5211 -4.5211 -4.5211 -4.4901 -4.4901 -4.4901 -4.4901 -4.4662 -4.4662 -4.4662 -4.4662 -0.6035 -0.6035 -0.6035 -0.6035 3.2277 3.2277 3.2277 3.2277 3.9953 3.9953 3.9953 3.9953 4.7496 4.7496 4.7496 4.7496 7.0653 7.0653 7.0653 7.0653 8.7406 8.7406 8.7406 8.7406 k =-0.3400 0.1203 0.6538 ( 5330 PWs) bands (ev): -6.8233 -6.8233 -6.8233 -6.8233 -6.6697 -6.6697 -6.6697 -6.6697 -6.6076 -6.6076 -6.6076 -6.6076 -4.5214 -4.5214 -4.5214 -4.5214 -4.4902 -4.4902 -4.4902 -4.4902 -4.4670 -4.4670 -4.4670 -4.4670 -0.6231 -0.6231 -0.6231 -0.6231 3.2671 3.2671 3.2671 3.2671 4.0262 4.0262 4.0262 4.0262 4.7501 4.7501 4.7501 4.7501 7.0171 7.0171 7.0171 7.0171 8.7411 8.7411 8.7411 8.7411 k =-0.3600 0.1273 0.6538 ( 5326 PWs) bands (ev): -6.8191 -6.8191 -6.8191 -6.8191 -6.6692 -6.6692 -6.6692 -6.6692 -6.6110 -6.6110 -6.6110 -6.6110 -4.5217 -4.5217 -4.5217 -4.5217 -4.4904 -4.4904 -4.4904 -4.4904 -4.4677 -4.4677 -4.4677 -4.4677 -0.6409 -0.6409 -0.6409 -0.6409 3.3007 3.3007 3.3007 3.3007 4.0591 4.0591 4.0591 4.0591 4.7513 4.7513 4.7513 4.7513 6.9680 6.9680 6.9680 6.9680 8.7410 8.7410 8.7410 8.7410 k =-0.3800 0.1344 0.6538 ( 5322 PWs) bands (ev): -6.8153 -6.8153 -6.8153 -6.8153 -6.6686 -6.6686 -6.6686 -6.6686 -6.6142 -6.6142 -6.6142 -6.6142 -4.5219 -4.5219 -4.5219 -4.5219 -4.4906 -4.4906 -4.4906 -4.4906 -4.4683 -4.4683 -4.4683 -4.4683 -0.6566 -0.6566 -0.6566 -0.6566 3.3286 3.3286 3.3286 3.3286 4.0926 4.0926 4.0926 4.0926 4.7534 4.7534 4.7534 4.7534 6.9196 6.9196 6.9196 6.9196 8.7408 8.7408 8.7408 8.7408 k =-0.4000 0.1415 0.6538 ( 5322 PWs) bands (ev): -6.8118 -6.8118 -6.8118 -6.8118 -6.6681 -6.6681 -6.6681 -6.6681 -6.6171 -6.6171 -6.6171 -6.6171 -4.5222 -4.5222 -4.5222 -4.5222 -4.4907 -4.4907 -4.4907 -4.4907 -4.4688 -4.4688 -4.4688 -4.4688 -0.6702 -0.6702 -0.6702 -0.6702 3.3510 3.3510 3.3510 3.3510 4.1250 4.1250 4.1250 4.1250 4.7561 4.7561 4.7561 4.7561 6.8738 6.8738 6.8738 6.8738 8.7405 8.7405 8.7405 8.7405 k =-0.4200 0.1486 0.6538 ( 5334 PWs) bands (ev): -6.8089 -6.8089 -6.8089 -6.8089 -6.6675 -6.6675 -6.6675 -6.6675 -6.6198 -6.6198 -6.6198 -6.6198 -4.5224 -4.5224 -4.5224 -4.5224 -4.4909 -4.4909 -4.4909 -4.4909 -4.4693 -4.4693 -4.4693 -4.4693 -0.6814 -0.6814 -0.6814 -0.6814 3.3684 3.3684 3.3684 3.3684 4.1545 4.1545 4.1545 4.1545 4.7593 4.7593 4.7593 4.7593 6.8326 6.8326 6.8326 6.8326 8.7403 8.7403 8.7403 8.7403 k =-0.4400 0.1556 0.6538 ( 5334 PWs) bands (ev): -6.8064 -6.8064 -6.8064 -6.8064 -6.6671 -6.6671 -6.6671 -6.6671 -6.6220 -6.6220 -6.6220 -6.6220 -4.5226 -4.5226 -4.5226 -4.5226 -4.4910 -4.4910 -4.4910 -4.4910 -4.4696 -4.4696 -4.4696 -4.4696 -0.6903 -0.6903 -0.6903 -0.6903 3.3813 3.3813 3.3813 3.3813 4.1793 4.1793 4.1793 4.1793 4.7625 4.7625 4.7625 4.7625 6.7980 6.7980 6.7980 6.7980 8.7402 8.7402 8.7402 8.7402 k =-0.4600 0.1627 0.6538 ( 5326 PWs) bands (ev): -6.8047 -6.8047 -6.8047 -6.8047 -6.6667 -6.6667 -6.6667 -6.6667 -6.6236 -6.6236 -6.6236 -6.6236 -4.5227 -4.5227 -4.5227 -4.5227 -4.4911 -4.4911 -4.4911 -4.4911 -4.4698 -4.4698 -4.4698 -4.4698 -0.6967 -0.6967 -0.6967 -0.6967 3.3902 3.3902 3.3902 3.3902 4.1981 4.1981 4.1981 4.1981 4.7654 4.7654 4.7654 4.7654 6.7718 6.7718 6.7718 6.7718 8.7402 8.7402 8.7402 8.7402 k =-0.4800 0.1698 0.6538 ( 5330 PWs) bands (ev): -6.8036 -6.8036 -6.8036 -6.8036 -6.6664 -6.6664 -6.6664 -6.6664 -6.6247 -6.6247 -6.6247 -6.6247 -4.5227 -4.5227 -4.5227 -4.5227 -4.4911 -4.4911 -4.4911 -4.4911 -4.4700 -4.4700 -4.4700 -4.4700 -0.7005 -0.7005 -0.7005 -0.7005 3.3953 3.3953 3.3953 3.3953 4.2099 4.2099 4.2099 4.2099 4.7673 4.7673 4.7673 4.7673 6.7554 6.7554 6.7554 6.7554 8.7402 8.7402 8.7402 8.7402 k =-0.5000 0.1769 0.6538 ( 5336 PWs) bands (ev): -6.8032 -6.8032 -6.8032 -6.8032 -6.6663 -6.6663 -6.6663 -6.6663 -6.6250 -6.6250 -6.6250 -6.6250 -4.5228 -4.5228 -4.5228 -4.5228 -4.4911 -4.4911 -4.4911 -4.4911 -4.4700 -4.4700 -4.4700 -4.4700 -0.7018 -0.7018 -0.7018 -0.7018 3.3970 3.3970 3.3970 3.3970 4.2138 4.2138 4.2138 4.2138 4.7680 4.7680 4.7680 4.7680 6.7499 6.7499 6.7499 6.7499 8.7402 8.7402 8.7402 8.7402 Writing output data file TlI.save init_run : 4.60s CPU 13.17s WALL ( 1 calls) electrons : 545.46s CPU 553.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.32s WALL ( 1 calls) Called by electrons: c_bands : 545.43s CPU 553.08s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.49s WALL ( 1 calls) newd : 0.42s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 348 calls) cegterg : 487.42s CPU 490.61s WALL ( 658 calls) Called by sum_band: Called by *egterg: h_psi : 259.67s CPU 265.64s WALL ( 9824 calls) s_psi : 27.59s CPU 27.90s WALL ( 9824 calls) g_psi : 0.75s CPU 0.72s WALL ( 8818 calls) cdiaghg : 133.60s CPU 131.71s WALL ( 9166 calls) cegterg:over : 45.48s CPU 43.08s WALL ( 8818 calls) cegterg:upda : 10.08s CPU 12.83s WALL ( 8818 calls) cegterg:last : 9.00s CPU 9.65s WALL ( 1702 calls) Called by h_psi: h_psi:vloc : 208.01s CPU 212.35s WALL ( 9824 calls) h_psi:vnl : 51.38s CPU 52.56s WALL ( 9824 calls) add_vuspsi : 18.54s CPU 21.73s WALL ( 9824 calls) General routines calbec : 32.81s CPU 30.77s WALL ( 9824 calls) fft : 0.27s CPU 1.14s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 199.44s CPU 202.17s WALL ( 1000336 calls) interpolate : 0.01s CPU 0.04s WALL ( 4 calls) davcio : 0.04s CPU 3.37s WALL ( 696 calls) Parallel routines fft_scatter : 114.53s CPU 115.00s WALL ( 1000359 calls) PWSCF : 10m17.47s CPU 11m59.42s WALL This run was terminated on: 6:58:54 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=