Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiS4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 37 11 574 541 93 Max 39 38 12 577 554 94 Sum 1385 1341 417 20719 19647 3369 bravais-lattice index = 14 lattice parameter (alat) = 10.4604 a.u. unit-cell volume = 498.9454 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.460384 celldm(2)= 1.000000 celldm(3)= 0.499512 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.488261 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.488261 0.872698 0.000000 ) a(3) = ( 0.000000 0.000000 0.499512 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.559485 -0.000000 ) b(2) = ( 0.000000 1.145872 -0.000000 ) b(3) = ( 0.000000 0.000000 2.001952 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 S 6.00 32.06500 S( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 460 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0088411 0.0150773 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0176822 0.0301545 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0265234 0.0452318 -0.0000000), wk = 0.0021739 k( 5) = ( 0.0353645 0.0603091 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0442056 0.0753863 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0530467 0.0904636 -0.0000000), wk = 0.0021739 k( 8) = ( 0.0618878 0.1055409 -0.0000000), wk = 0.0021739 k( 9) = ( 0.0707290 0.1206181 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0795701 0.1356954 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0884112 0.1507727 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0972523 0.1658499 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1060934 0.1809272 -0.0000000), wk = 0.0021739 k( 14) = ( 0.1149346 0.1960045 -0.0000000), wk = 0.0021739 k( 15) = ( 0.1237757 0.2110817 -0.0000000), wk = 0.0021739 k( 16) = ( 0.1326168 0.2261590 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1414579 0.2412363 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1502990 0.2563135 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1591402 0.2713908 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1679813 0.2864681 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1768224 0.3015453 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1856635 0.3166226 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1945046 0.3316999 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2033458 0.3467771 -0.0000000), wk = 0.0021739 k( 25) = ( 0.2121869 0.3618544 -0.0000000), wk = 0.0021739 k( 26) = ( 0.2210280 0.3769317 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2298691 0.3920089 -0.0000000), wk = 0.0021739 k( 28) = ( 0.2387102 0.4070862 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2475514 0.4221635 -0.0000000), wk = 0.0021739 k( 30) = ( 0.2563925 0.4372407 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2652336 0.4523180 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2740747 0.4673953 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2829158 0.4824725 -0.0000000), wk = 0.0021739 k( 34) = ( 0.2917570 0.4975498 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3005981 0.5126271 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3094392 0.5277044 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3182803 0.5427816 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3271214 0.5578589 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3359626 0.5729362 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3359626 0.5729362 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3191644 0.5729361 -0.0000000), wk = 0.0021739 k( 42) = ( 0.3023663 0.5729361 -0.0000000), wk = 0.0021739 k( 43) = ( 0.2855682 0.5729361 -0.0000000), wk = 0.0021739 k( 44) = ( 0.2687700 0.5729361 -0.0000000), wk = 0.0021739 k( 45) = ( 0.2519719 0.5729361 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2351738 0.5729361 -0.0000000), wk = 0.0021739 k( 47) = ( 0.2183757 0.5729361 -0.0000000), wk = 0.0021739 k( 48) = ( 0.2015775 0.5729361 -0.0000000), wk = 0.0021739 k( 49) = ( 0.1847794 0.5729362 -0.0000000), wk = 0.0021739 k( 50) = ( 0.1679813 0.5729361 -0.0000000), wk = 0.0021739 k( 51) = ( 0.1511831 0.5729361 -0.0000000), wk = 0.0021739 k( 52) = ( 0.1343850 0.5729361 -0.0000000), wk = 0.0021739 k( 53) = ( 0.1175869 0.5729361 -0.0000000), wk = 0.0021739 k( 54) = ( 0.1007888 0.5729361 -0.0000000), wk = 0.0021739 k( 55) = ( 0.0839906 0.5729361 -0.0000000), wk = 0.0021739 k( 56) = ( 0.0671925 0.5729361 -0.0000000), wk = 0.0021739 k( 57) = ( 0.0503944 0.5729361 -0.0000000), wk = 0.0021739 k( 58) = ( 0.0335963 0.5729362 -0.0000000), wk = 0.0021739 k( 59) = ( 0.0167981 0.5729361 -0.0000000), wk = 0.0021739 k( 60) = ( 0.0000000 0.5729361 -0.0000000), wk = 0.0021739 k( 61) = ( 0.0000000 0.5729361 -0.0000000), wk = 0.0021739 k( 62) = ( 0.0000000 0.5729361 0.0175610), wk = 0.0021739 k( 63) = ( 0.0000000 0.5729361 0.0351220), wk = 0.0021739 k( 64) = ( 0.0000000 0.5729361 0.0526830), wk = 0.0021739 k( 65) = ( 0.0000000 0.5729361 0.0702439), wk = 0.0021739 k( 66) = ( 0.0000000 0.5729361 0.0878049), wk = 0.0021739 k( 67) = ( 0.0000000 0.5729361 0.1053659), wk = 0.0021739 k( 68) = ( 0.0000000 0.5729361 0.1229269), wk = 0.0021739 k( 69) = ( 0.0000000 0.5729361 0.1404879), wk = 0.0021739 k( 70) = ( 0.0000000 0.5729361 0.1580489), wk = 0.0021739 k( 71) = ( 0.0000000 0.5729361 0.1756098), wk = 0.0021739 k( 72) = ( 0.0000000 0.5729361 0.1931708), wk = 0.0021739 k( 73) = ( 0.0000000 0.5729361 0.2107318), wk = 0.0021739 k( 74) = ( 0.0000000 0.5729361 0.2282928), wk = 0.0021739 k( 75) = ( 0.0000000 0.5729361 0.2458538), wk = 0.0021739 k( 76) = ( 0.0000000 0.5729361 0.2634148), wk = 0.0021739 k( 77) = ( 0.0000000 0.5729361 0.2809757), wk = 0.0021739 k( 78) = ( 0.0000000 0.5729361 0.2985367), wk = 0.0021739 k( 79) = ( 0.0000000 0.5729361 0.3160977), wk = 0.0021739 k( 80) = ( 0.0000000 0.5729361 0.3336587), wk = 0.0021739 k( 81) = ( 0.0000000 0.5729361 0.3512197), wk = 0.0021739 k( 82) = ( 0.0000000 0.5729361 0.3687807), wk = 0.0021739 k( 83) = ( 0.0000000 0.5729361 0.3863416), wk = 0.0021739 k( 84) = ( 0.0000000 0.5729361 0.4039026), wk = 0.0021739 k( 85) = ( 0.0000000 0.5729361 0.4214636), wk = 0.0021739 k( 86) = ( 0.0000000 0.5729361 0.4390246), wk = 0.0021739 k( 87) = ( 0.0000000 0.5729361 0.4565856), wk = 0.0021739 k( 88) = ( 0.0000000 0.5729361 0.4741466), wk = 0.0021739 k( 89) = ( 0.0000000 0.5729361 0.4917075), wk = 0.0021739 k( 90) = ( 0.0000000 0.5729361 0.5092685), wk = 0.0021739 k( 91) = ( 0.0000000 0.5729361 0.5268295), wk = 0.0021739 k( 92) = ( 0.0000000 0.5729361 0.5443905), wk = 0.0021739 k( 93) = ( 0.0000000 0.5729361 0.5619514), wk = 0.0021739 k( 94) = ( 0.0000000 0.5729361 0.5795124), wk = 0.0021739 k( 95) = ( 0.0000000 0.5729361 0.5970734), wk = 0.0021739 k( 96) = ( 0.0000000 0.5729361 0.6146344), wk = 0.0021739 k( 97) = ( 0.0000000 0.5729361 0.6321954), wk = 0.0021739 k( 98) = ( 0.0000000 0.5729361 0.6497564), wk = 0.0021739 k( 99) = ( 0.0000000 0.5729361 0.6673173), wk = 0.0021739 k( 100) = ( 0.0000000 0.5729361 0.6848783), wk = 0.0021739 k( 101) = ( 0.0000000 0.5729361 0.7024393), wk = 0.0021739 k( 102) = ( 0.0000000 0.5729361 0.7200003), wk = 0.0021739 k( 103) = ( 0.0000000 0.5729361 0.7375613), wk = 0.0021739 k( 104) = ( 0.0000000 0.5729361 0.7551223), wk = 0.0021739 k( 105) = ( 0.0000000 0.5729361 0.7726832), wk = 0.0021739 k( 106) = ( 0.0000000 0.5729361 0.7902442), wk = 0.0021739 k( 107) = ( 0.0000000 0.5729361 0.8078052), wk = 0.0021739 k( 108) = ( 0.0000000 0.5729361 0.8253662), wk = 0.0021739 k( 109) = ( 0.0000000 0.5729361 0.8429272), wk = 0.0021739 k( 110) = ( 0.0000000 0.5729361 0.8604882), wk = 0.0021739 k( 111) = ( 0.0000000 0.5729361 0.8780491), wk = 0.0021739 k( 112) = ( 0.0000000 0.5729361 0.8956101), wk = 0.0021739 k( 113) = ( 0.0000000 0.5729361 0.9131711), wk = 0.0021739 k( 114) = ( 0.0000000 0.5729361 0.9307321), wk = 0.0021739 k( 115) = ( 0.0000000 0.5729361 0.9482931), wk = 0.0021739 k( 116) = ( 0.0000000 0.5729361 0.9658541), wk = 0.0021739 k( 117) = ( 0.0000000 0.5729361 0.9834150), wk = 0.0021739 k( 118) = ( 0.0000000 0.5729361 1.0009760), wk = 0.0021739 k( 119) = ( 0.0000000 0.5729361 1.0009760), wk = 0.0021739 k( 120) = ( 0.0167981 0.5729361 1.0009760), wk = 0.0021739 k( 121) = ( 0.0335963 0.5729362 1.0009760), wk = 0.0021739 k( 122) = ( 0.0503944 0.5729361 1.0009760), wk = 0.0021739 k( 123) = ( 0.0671925 0.5729361 1.0009760), wk = 0.0021739 k( 124) = ( 0.0839906 0.5729361 1.0009760), wk = 0.0021739 k( 125) = ( 0.1007888 0.5729361 1.0009760), wk = 0.0021739 k( 126) = ( 0.1175869 0.5729361 1.0009760), wk = 0.0021739 k( 127) = ( 0.1343850 0.5729361 1.0009760), wk = 0.0021739 k( 128) = ( 0.1511831 0.5729361 1.0009760), wk = 0.0021739 k( 129) = ( 0.1679813 0.5729361 1.0009760), wk = 0.0021739 k( 130) = ( 0.1847794 0.5729362 1.0009760), wk = 0.0021739 k( 131) = ( 0.2015775 0.5729361 1.0009760), wk = 0.0021739 k( 132) = ( 0.2183757 0.5729361 1.0009760), wk = 0.0021739 k( 133) = ( 0.2351738 0.5729361 1.0009760), wk = 0.0021739 k( 134) = ( 0.2519719 0.5729361 1.0009760), wk = 0.0021739 k( 135) = ( 0.2687700 0.5729361 1.0009760), wk = 0.0021739 k( 136) = ( 0.2855682 0.5729361 1.0009760), wk = 0.0021739 k( 137) = ( 0.3023663 0.5729361 1.0009760), wk = 0.0021739 k( 138) = ( 0.3191644 0.5729361 1.0009760), wk = 0.0021739 k( 139) = ( 0.3359626 0.5729362 1.0009760), wk = 0.0021739 k( 140) = ( 0.3359626 0.5729362 1.0009760), wk = 0.0021739 k( 141) = ( 0.3271214 0.5578589 1.0009760), wk = 0.0021739 k( 142) = ( 0.3182803 0.5427816 1.0009760), wk = 0.0021739 k( 143) = ( 0.3094392 0.5277044 1.0009760), wk = 0.0021739 k( 144) = ( 0.3005981 0.5126271 1.0009760), wk = 0.0021739 k( 145) = ( 0.2917570 0.4975498 1.0009760), wk = 0.0021739 k( 146) = ( 0.2829158 0.4824725 1.0009760), wk = 0.0021739 k( 147) = ( 0.2740747 0.4673953 1.0009760), wk = 0.0021739 k( 148) = ( 0.2652336 0.4523180 1.0009760), wk = 0.0021739 k( 149) = ( 0.2563925 0.4372407 1.0009760), wk = 0.0021739 k( 150) = ( 0.2475514 0.4221635 1.0009760), wk = 0.0021739 k( 151) = ( 0.2387102 0.4070862 1.0009760), wk = 0.0021739 k( 152) = ( 0.2298691 0.3920089 1.0009760), wk = 0.0021739 k( 153) = ( 0.2210280 0.3769317 1.0009760), wk = 0.0021739 k( 154) = ( 0.2121869 0.3618544 1.0009760), wk = 0.0021739 k( 155) = ( 0.2033458 0.3467771 1.0009760), wk = 0.0021739 k( 156) = ( 0.1945046 0.3316999 1.0009760), wk = 0.0021739 k( 157) = ( 0.1856635 0.3166226 1.0009760), wk = 0.0021739 k( 158) = ( 0.1768224 0.3015453 1.0009760), wk = 0.0021739 k( 159) = ( 0.1679813 0.2864681 1.0009760), wk = 0.0021739 k( 160) = ( 0.1591402 0.2713908 1.0009760), wk = 0.0021739 k( 161) = ( 0.1502990 0.2563135 1.0009760), wk = 0.0021739 k( 162) = ( 0.1414579 0.2412363 1.0009760), wk = 0.0021739 k( 163) = ( 0.1326168 0.2261590 1.0009760), wk = 0.0021739 k( 164) = ( 0.1237757 0.2110817 1.0009760), wk = 0.0021739 k( 165) = ( 0.1149346 0.1960045 1.0009760), wk = 0.0021739 k( 166) = ( 0.1060934 0.1809272 1.0009760), wk = 0.0021739 k( 167) = ( 0.0972523 0.1658499 1.0009760), wk = 0.0021739 k( 168) = ( 0.0884112 0.1507727 1.0009760), wk = 0.0021739 k( 169) = ( 0.0795701 0.1356954 1.0009760), wk = 0.0021739 k( 170) = ( 0.0707290 0.1206181 1.0009760), wk = 0.0021739 k( 171) = ( 0.0618878 0.1055409 1.0009760), wk = 0.0021739 k( 172) = ( 0.0530467 0.0904636 1.0009760), wk = 0.0021739 k( 173) = ( 0.0442056 0.0753863 1.0009760), wk = 0.0021739 k( 174) = ( 0.0353645 0.0603091 1.0009760), wk = 0.0021739 k( 175) = ( 0.0265234 0.0452318 1.0009760), wk = 0.0021739 k( 176) = ( 0.0176822 0.0301545 1.0009760), wk = 0.0021739 k( 177) = ( 0.0088411 0.0150773 1.0009760), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 1.0009760), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 1.0009760), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.9834150), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.9658541), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.9482931), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.9307321), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.9131711), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.8956101), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.8780491), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.8604882), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.8429272), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.8253662), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.8078052), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.7902442), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.7726832), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.7551223), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.7375613), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.7200003), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.7024393), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.6848783), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.6673173), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.6497564), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.6321954), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.6146344), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.5970734), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.5795124), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.5619514), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.5443905), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.5268295), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.5092685), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.4917075), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.4741466), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.4565856), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.4390246), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.4214636), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.4039026), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.3863416), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.3687807), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.3512197), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.3336587), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.3160977), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.2985367), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.2809757), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.2634148), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.2458538), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.2282928), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.2107318), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.1931708), wk = 0.0021739 k( 226) = ( 0.0000000 0.0000000 0.1756098), wk = 0.0021739 k( 227) = ( 0.0000000 0.0000000 0.1580489), wk = 0.0021739 k( 228) = ( 0.0000000 0.0000000 0.1404879), wk = 0.0021739 k( 229) = ( 0.0000000 0.0000000 0.1229269), wk = 0.0021739 k( 230) = ( 0.0000000 0.0000000 0.1053659), wk = 0.0021739 k( 231) = ( 0.0000000 0.0000000 0.0878049), wk = 0.0021739 k( 232) = ( 0.0000000 0.0000000 0.0702439), wk = 0.0021739 k( 233) = ( 0.0000000 0.0000000 0.0526830), wk = 0.0021739 k( 234) = ( 0.0000000 0.0000000 0.0351220), wk = 0.0021739 k( 235) = ( 0.0000000 0.0000000 0.0175610), wk = 0.0021739 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 238) = ( -0.0151515 0.0088847 0.0000000), wk = 0.0021739 k( 239) = ( -0.0303030 0.0177693 0.0000000), wk = 0.0021739 k( 240) = ( -0.0454546 0.0266540 0.0000000), wk = 0.0021739 k( 241) = ( -0.0606061 0.0355386 0.0000000), wk = 0.0021739 k( 242) = ( -0.0757576 0.0444233 0.0000000), wk = 0.0021739 k( 243) = ( -0.0909091 0.0533079 0.0000000), wk = 0.0021739 k( 244) = ( -0.1060606 0.0621926 0.0000000), wk = 0.0021739 k( 245) = ( -0.1212121 0.0710773 0.0000000), wk = 0.0021739 k( 246) = ( -0.1363636 0.0799619 0.0000000), wk = 0.0021739 k( 247) = ( -0.1515151 0.0888466 0.0000000), wk = 0.0021739 k( 248) = ( -0.1666667 0.0977312 0.0000000), wk = 0.0021739 k( 249) = ( -0.1818182 0.1066159 0.0000000), wk = 0.0021739 k( 250) = ( -0.1969697 0.1155006 0.0000000), wk = 0.0021739 k( 251) = ( -0.2121212 0.1243852 0.0000000), wk = 0.0021739 k( 252) = ( -0.2272727 0.1332699 0.0000000), wk = 0.0021739 k( 253) = ( -0.2424242 0.1421545 0.0000000), wk = 0.0021739 k( 254) = ( -0.2575758 0.1510392 0.0000000), wk = 0.0021739 k( 255) = ( -0.2727273 0.1599238 0.0000000), wk = 0.0021739 k( 256) = ( -0.2878788 0.1688085 0.0000000), wk = 0.0021739 k( 257) = ( -0.3030303 0.1776932 0.0000000), wk = 0.0021739 k( 258) = ( -0.3181818 0.1865778 0.0000000), wk = 0.0021739 k( 259) = ( -0.3333333 0.1954625 0.0000000), wk = 0.0021739 k( 260) = ( -0.3484849 0.2043471 0.0000000), wk = 0.0021739 k( 261) = ( -0.3636364 0.2132318 0.0000000), wk = 0.0021739 k( 262) = ( -0.3787879 0.2221165 0.0000000), wk = 0.0021739 k( 263) = ( -0.3939394 0.2310011 0.0000000), wk = 0.0021739 k( 264) = ( -0.4090909 0.2398858 0.0000000), wk = 0.0021739 k( 265) = ( -0.4242424 0.2487704 0.0000000), wk = 0.0021739 k( 266) = ( -0.4393939 0.2576551 0.0000000), wk = 0.0021739 k( 267) = ( -0.4545455 0.2665397 0.0000000), wk = 0.0021739 k( 268) = ( -0.4696970 0.2754244 0.0000000), wk = 0.0021739 k( 269) = ( -0.4848485 0.2843091 0.0000000), wk = 0.0021739 k( 270) = ( -0.5000000 0.2931937 0.0000000), wk = 0.0021739 k( 271) = ( -0.5000000 0.2931937 0.0000000), wk = 0.0021739 k( 272) = ( -0.4913665 0.3079170 -0.0000000), wk = 0.0021739 k( 273) = ( -0.4827329 0.3226403 -0.0000000), wk = 0.0021739 k( 274) = ( -0.4740993 0.3373636 -0.0000000), wk = 0.0021739 k( 275) = ( -0.4654658 0.3520869 -0.0000000), wk = 0.0021739 k( 276) = ( -0.4568322 0.3668101 -0.0000000), wk = 0.0021739 k( 277) = ( -0.4481987 0.3815334 -0.0000000), wk = 0.0021739 k( 278) = ( -0.4395652 0.3962567 -0.0000000), wk = 0.0021739 k( 279) = ( -0.4309316 0.4109800 -0.0000000), wk = 0.0021739 k( 280) = ( -0.4222980 0.4257033 -0.0000000), wk = 0.0021739 k( 281) = ( -0.4136645 0.4404266 -0.0000000), wk = 0.0021739 k( 282) = ( -0.4050310 0.4551499 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3963974 0.4698732 -0.0000000), wk = 0.0021739 k( 284) = ( -0.3877639 0.4845964 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3791303 0.4993197 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3704967 0.5140430 -0.0000000), wk = 0.0021739 k( 287) = ( -0.3618632 0.5287663 -0.0000000), wk = 0.0021739 k( 288) = ( -0.3532297 0.5434896 -0.0000000), wk = 0.0021739 k( 289) = ( -0.3445961 0.5582129 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3359626 0.5729361 -0.0000000), wk = 0.0021739 k( 291) = ( -0.3359626 0.5729361 -0.0000000), wk = 0.0021739 k( 292) = ( -0.3359626 0.5729361 0.0175610), wk = 0.0021739 k( 293) = ( -0.3359626 0.5729361 0.0351220), wk = 0.0021739 k( 294) = ( -0.3359626 0.5729361 0.0526830), wk = 0.0021739 k( 295) = ( -0.3359626 0.5729361 0.0702439), wk = 0.0021739 k( 296) = ( -0.3359626 0.5729361 0.0878049), wk = 0.0021739 k( 297) = ( -0.3359626 0.5729361 0.1053659), wk = 0.0021739 k( 298) = ( -0.3359626 0.5729361 0.1229269), wk = 0.0021739 k( 299) = ( -0.3359626 0.5729361 0.1404879), wk = 0.0021739 k( 300) = ( -0.3359626 0.5729361 0.1580489), wk = 0.0021739 k( 301) = ( -0.3359626 0.5729361 0.1756098), wk = 0.0021739 k( 302) = ( -0.3359626 0.5729361 0.1931708), wk = 0.0021739 k( 303) = ( -0.3359626 0.5729361 0.2107318), wk = 0.0021739 k( 304) = ( -0.3359626 0.5729361 0.2282928), wk = 0.0021739 k( 305) = ( -0.3359626 0.5729361 0.2458538), wk = 0.0021739 k( 306) = ( -0.3359626 0.5729361 0.2634148), wk = 0.0021739 k( 307) = ( -0.3359626 0.5729361 0.2809757), wk = 0.0021739 k( 308) = ( -0.3359626 0.5729361 0.2985367), wk = 0.0021739 k( 309) = ( -0.3359626 0.5729361 0.3160977), wk = 0.0021739 k( 310) = ( -0.3359626 0.5729361 0.3336587), wk = 0.0021739 k( 311) = ( -0.3359626 0.5729361 0.3512197), wk = 0.0021739 k( 312) = ( -0.3359626 0.5729361 0.3687807), wk = 0.0021739 k( 313) = ( -0.3359626 0.5729361 0.3863416), wk = 0.0021739 k( 314) = ( -0.3359626 0.5729361 0.4039026), wk = 0.0021739 k( 315) = ( -0.3359626 0.5729361 0.4214636), wk = 0.0021739 k( 316) = ( -0.3359626 0.5729361 0.4390246), wk = 0.0021739 k( 317) = ( -0.3359626 0.5729361 0.4565856), wk = 0.0021739 k( 318) = ( -0.3359626 0.5729361 0.4741466), wk = 0.0021739 k( 319) = ( -0.3359626 0.5729361 0.4917075), wk = 0.0021739 k( 320) = ( -0.3359626 0.5729361 0.5092685), wk = 0.0021739 k( 321) = ( -0.3359626 0.5729361 0.5268295), wk = 0.0021739 k( 322) = ( -0.3359626 0.5729361 0.5443905), wk = 0.0021739 k( 323) = ( -0.3359626 0.5729361 0.5619514), wk = 0.0021739 k( 324) = ( -0.3359626 0.5729361 0.5795124), wk = 0.0021739 k( 325) = ( -0.3359626 0.5729361 0.5970734), wk = 0.0021739 k( 326) = ( -0.3359626 0.5729361 0.6146344), wk = 0.0021739 k( 327) = ( -0.3359626 0.5729361 0.6321954), wk = 0.0021739 k( 328) = ( -0.3359626 0.5729361 0.6497564), wk = 0.0021739 k( 329) = ( -0.3359626 0.5729361 0.6673173), wk = 0.0021739 k( 330) = ( -0.3359626 0.5729361 0.6848783), wk = 0.0021739 k( 331) = ( -0.3359626 0.5729361 0.7024393), wk = 0.0021739 k( 332) = ( -0.3359626 0.5729361 0.7200003), wk = 0.0021739 k( 333) = ( -0.3359626 0.5729361 0.7375613), wk = 0.0021739 k( 334) = ( -0.3359626 0.5729361 0.7551223), wk = 0.0021739 k( 335) = ( -0.3359626 0.5729361 0.7726832), wk = 0.0021739 k( 336) = ( -0.3359626 0.5729361 0.7902442), wk = 0.0021739 k( 337) = ( -0.3359626 0.5729361 0.8078052), wk = 0.0021739 k( 338) = ( -0.3359626 0.5729361 0.8253662), wk = 0.0021739 k( 339) = ( -0.3359626 0.5729361 0.8429272), wk = 0.0021739 k( 340) = ( -0.3359626 0.5729361 0.8604882), wk = 0.0021739 k( 341) = ( -0.3359626 0.5729361 0.8780491), wk = 0.0021739 k( 342) = ( -0.3359626 0.5729361 0.8956101), wk = 0.0021739 k( 343) = ( -0.3359626 0.5729361 0.9131711), wk = 0.0021739 k( 344) = ( -0.3359626 0.5729361 0.9307321), wk = 0.0021739 k( 345) = ( -0.3359626 0.5729361 0.9482931), wk = 0.0021739 k( 346) = ( -0.3359626 0.5729361 0.9658541), wk = 0.0021739 k( 347) = ( -0.3359626 0.5729361 0.9834150), wk = 0.0021739 k( 348) = ( -0.3359626 0.5729361 1.0009760), wk = 0.0021739 k( 349) = ( -0.3359626 0.5729361 1.0009760), wk = 0.0021739 k( 350) = ( -0.3445961 0.5582129 1.0009760), wk = 0.0021739 k( 351) = ( -0.3532297 0.5434896 1.0009760), wk = 0.0021739 k( 352) = ( -0.3618632 0.5287663 1.0009760), wk = 0.0021739 k( 353) = ( -0.3704967 0.5140430 1.0009760), wk = 0.0021739 k( 354) = ( -0.3791303 0.4993197 1.0009760), wk = 0.0021739 k( 355) = ( -0.3877639 0.4845964 1.0009760), wk = 0.0021739 k( 356) = ( -0.3963974 0.4698732 1.0009760), wk = 0.0021739 k( 357) = ( -0.4050310 0.4551499 1.0009760), wk = 0.0021739 k( 358) = ( -0.4136645 0.4404266 1.0009760), wk = 0.0021739 k( 359) = ( -0.4222980 0.4257033 1.0009760), wk = 0.0021739 k( 360) = ( -0.4309316 0.4109800 1.0009760), wk = 0.0021739 k( 361) = ( -0.4395652 0.3962567 1.0009760), wk = 0.0021739 k( 362) = ( -0.4481987 0.3815334 1.0009760), wk = 0.0021739 k( 363) = ( -0.4568322 0.3668101 1.0009760), wk = 0.0021739 k( 364) = ( -0.4654658 0.3520869 1.0009760), wk = 0.0021739 k( 365) = ( -0.4740993 0.3373636 1.0009760), wk = 0.0021739 k( 366) = ( -0.4827329 0.3226403 1.0009760), wk = 0.0021739 k( 367) = ( -0.4913665 0.3079170 1.0009760), wk = 0.0021739 k( 368) = ( -0.5000000 0.2931937 1.0009760), wk = 0.0021739 k( 369) = ( -0.5000000 0.2931937 1.0009760), wk = 0.0021739 k( 370) = ( -0.5000000 0.2931937 0.9834150), wk = 0.0021739 k( 371) = ( -0.5000000 0.2931937 0.9658541), wk = 0.0021739 k( 372) = ( -0.5000000 0.2931937 0.9482931), wk = 0.0021739 k( 373) = ( -0.5000000 0.2931937 0.9307321), wk = 0.0021739 k( 374) = ( -0.5000000 0.2931937 0.9131711), wk = 0.0021739 k( 375) = ( -0.5000000 0.2931937 0.8956101), wk = 0.0021739 k( 376) = ( -0.5000000 0.2931937 0.8780491), wk = 0.0021739 k( 377) = ( -0.5000000 0.2931937 0.8604882), wk = 0.0021739 k( 378) = ( -0.5000000 0.2931937 0.8429272), wk = 0.0021739 k( 379) = ( -0.5000000 0.2931937 0.8253662), wk = 0.0021739 k( 380) = ( -0.5000000 0.2931937 0.8078052), wk = 0.0021739 k( 381) = ( -0.5000000 0.2931937 0.7902442), wk = 0.0021739 k( 382) = ( -0.5000000 0.2931937 0.7726832), wk = 0.0021739 k( 383) = ( -0.5000000 0.2931937 0.7551223), wk = 0.0021739 k( 384) = ( -0.5000000 0.2931937 0.7375613), wk = 0.0021739 k( 385) = ( -0.5000000 0.2931937 0.7200003), wk = 0.0021739 k( 386) = ( -0.5000000 0.2931937 0.7024393), wk = 0.0021739 k( 387) = ( -0.5000000 0.2931937 0.6848783), wk = 0.0021739 k( 388) = ( -0.5000000 0.2931937 0.6673173), wk = 0.0021739 k( 389) = ( -0.5000000 0.2931937 0.6497564), wk = 0.0021739 k( 390) = ( -0.5000000 0.2931937 0.6321954), wk = 0.0021739 k( 391) = ( -0.5000000 0.2931937 0.6146344), wk = 0.0021739 k( 392) = ( -0.5000000 0.2931937 0.5970734), wk = 0.0021739 k( 393) = ( -0.5000000 0.2931937 0.5795124), wk = 0.0021739 k( 394) = ( -0.5000000 0.2931937 0.5619514), wk = 0.0021739 k( 395) = ( -0.5000000 0.2931937 0.5443905), wk = 0.0021739 k( 396) = ( -0.5000000 0.2931937 0.5268295), wk = 0.0021739 k( 397) = ( -0.5000000 0.2931937 0.5092685), wk = 0.0021739 k( 398) = ( -0.5000000 0.2931937 0.4917075), wk = 0.0021739 k( 399) = ( -0.5000000 0.2931937 0.4741466), wk = 0.0021739 k( 400) = ( -0.5000000 0.2931937 0.4565856), wk = 0.0021739 k( 401) = ( -0.5000000 0.2931937 0.4390246), wk = 0.0021739 k( 402) = ( -0.5000000 0.2931937 0.4214636), wk = 0.0021739 k( 403) = ( -0.5000000 0.2931937 0.4039026), wk = 0.0021739 k( 404) = ( -0.5000000 0.2931937 0.3863416), wk = 0.0021739 k( 405) = ( -0.5000000 0.2931937 0.3687807), wk = 0.0021739 k( 406) = ( -0.5000000 0.2931937 0.3512197), wk = 0.0021739 k( 407) = ( -0.5000000 0.2931937 0.3336587), wk = 0.0021739 k( 408) = ( -0.5000000 0.2931937 0.3160977), wk = 0.0021739 k( 409) = ( -0.5000000 0.2931937 0.2985367), wk = 0.0021739 k( 410) = ( -0.5000000 0.2931937 0.2809757), wk = 0.0021739 k( 411) = ( -0.5000000 0.2931937 0.2634148), wk = 0.0021739 k( 412) = ( -0.5000000 0.2931937 0.2458538), wk = 0.0021739 k( 413) = ( -0.5000000 0.2931937 0.2282928), wk = 0.0021739 k( 414) = ( -0.5000000 0.2931937 0.2107318), wk = 0.0021739 k( 415) = ( -0.5000000 0.2931937 0.1931708), wk = 0.0021739 k( 416) = ( -0.5000000 0.2931937 0.1756098), wk = 0.0021739 k( 417) = ( -0.5000000 0.2931937 0.1580489), wk = 0.0021739 k( 418) = ( -0.5000000 0.2931937 0.1404879), wk = 0.0021739 k( 419) = ( -0.5000000 0.2931937 0.1229269), wk = 0.0021739 k( 420) = ( -0.5000000 0.2931937 0.1053659), wk = 0.0021739 k( 421) = ( -0.5000000 0.2931937 0.0878049), wk = 0.0021739 k( 422) = ( -0.5000000 0.2931937 0.0702439), wk = 0.0021739 k( 423) = ( -0.5000000 0.2931937 0.0526830), wk = 0.0021739 k( 424) = ( -0.5000000 0.2931937 0.0351220), wk = 0.0021739 k( 425) = ( -0.5000000 0.2931937 0.0175610), wk = 0.0021739 k( 426) = ( -0.5000000 0.2931937 0.0000000), wk = 0.0021739 k( 427) = ( 0.0000000 0.0000000 1.0009760), wk = 0.0021739 k( 428) = ( -0.0151515 0.0088847 1.0009760), wk = 0.0021739 k( 429) = ( -0.0303030 0.0177693 1.0009760), wk = 0.0021739 k( 430) = ( -0.0454546 0.0266540 1.0009760), wk = 0.0021739 k( 431) = ( -0.0606061 0.0355386 1.0009760), wk = 0.0021739 k( 432) = ( -0.0757576 0.0444233 1.0009760), wk = 0.0021739 k( 433) = ( -0.0909091 0.0533079 1.0009760), wk = 0.0021739 k( 434) = ( -0.1060606 0.0621926 1.0009760), wk = 0.0021739 k( 435) = ( -0.1212121 0.0710773 1.0009760), wk = 0.0021739 k( 436) = ( -0.1363636 0.0799619 1.0009760), wk = 0.0021739 k( 437) = ( -0.1515151 0.0888466 1.0009760), wk = 0.0021739 k( 438) = ( -0.1666667 0.0977312 1.0009760), wk = 0.0021739 k( 439) = ( -0.1818182 0.1066159 1.0009760), wk = 0.0021739 k( 440) = ( -0.1969697 0.1155006 1.0009760), wk = 0.0021739 k( 441) = ( -0.2121212 0.1243852 1.0009760), wk = 0.0021739 k( 442) = ( -0.2272727 0.1332699 1.0009760), wk = 0.0021739 k( 443) = ( -0.2424242 0.1421545 1.0009760), wk = 0.0021739 k( 444) = ( -0.2575758 0.1510392 1.0009760), wk = 0.0021739 k( 445) = ( -0.2727273 0.1599238 1.0009760), wk = 0.0021739 k( 446) = ( -0.2878788 0.1688085 1.0009760), wk = 0.0021739 k( 447) = ( -0.3030303 0.1776932 1.0009760), wk = 0.0021739 k( 448) = ( -0.3181818 0.1865778 1.0009760), wk = 0.0021739 k( 449) = ( -0.3333333 0.1954625 1.0009760), wk = 0.0021739 k( 450) = ( -0.3484849 0.2043471 1.0009760), wk = 0.0021739 k( 451) = ( -0.3636364 0.2132318 1.0009760), wk = 0.0021739 k( 452) = ( -0.3787879 0.2221165 1.0009760), wk = 0.0021739 k( 453) = ( -0.3939394 0.2310011 1.0009760), wk = 0.0021739 k( 454) = ( -0.4090909 0.2398858 1.0009760), wk = 0.0021739 k( 455) = ( -0.4242424 0.2487704 1.0009760), wk = 0.0021739 k( 456) = ( -0.4393939 0.2576551 1.0009760), wk = 0.0021739 k( 457) = ( -0.4545455 0.2665397 1.0009760), wk = 0.0021739 k( 458) = ( -0.4696970 0.2754244 1.0009760), wk = 0.0021739 k( 459) = ( -0.4848485 0.2843091 1.0009760), wk = 0.0021739 k( 460) = ( -0.5000000 0.2931937 1.0009760), wk = 0.0021739 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 2) = ( 0.0088411 0.0088411 -0.0000000), wk = 0.0021739 k( 3) = ( 0.0176822 0.0176822 -0.0000000), wk = 0.0021739 k( 4) = ( 0.0265234 0.0265234 0.0000000), wk = 0.0021739 k( 5) = ( 0.0353645 0.0353645 -0.0000000), wk = 0.0021739 k( 6) = ( 0.0442056 0.0442056 -0.0000000), wk = 0.0021739 k( 7) = ( 0.0530467 0.0530467 0.0000000), wk = 0.0021739 k( 8) = ( 0.0618878 0.0618878 0.0000000), wk = 0.0021739 k( 9) = ( 0.0707290 0.0707290 -0.0000000), wk = 0.0021739 k( 10) = ( 0.0795701 0.0795701 -0.0000000), wk = 0.0021739 k( 11) = ( 0.0884112 0.0884112 -0.0000000), wk = 0.0021739 k( 12) = ( 0.0972523 0.0972523 -0.0000000), wk = 0.0021739 k( 13) = ( 0.1060934 0.1060934 0.0000000), wk = 0.0021739 k( 14) = ( 0.1149346 0.1149346 0.0000000), wk = 0.0021739 k( 15) = ( 0.1237757 0.1237757 0.0000000), wk = 0.0021739 k( 16) = ( 0.1326168 0.1326168 -0.0000000), wk = 0.0021739 k( 17) = ( 0.1414579 0.1414579 -0.0000000), wk = 0.0021739 k( 18) = ( 0.1502990 0.1502990 -0.0000000), wk = 0.0021739 k( 19) = ( 0.1591402 0.1591402 -0.0000000), wk = 0.0021739 k( 20) = ( 0.1679813 0.1679813 -0.0000000), wk = 0.0021739 k( 21) = ( 0.1768224 0.1768224 -0.0000000), wk = 0.0021739 k( 22) = ( 0.1856635 0.1856635 -0.0000000), wk = 0.0021739 k( 23) = ( 0.1945046 0.1945046 -0.0000000), wk = 0.0021739 k( 24) = ( 0.2033458 0.2033458 0.0000000), wk = 0.0021739 k( 25) = ( 0.2121869 0.2121869 0.0000000), wk = 0.0021739 k( 26) = ( 0.2210280 0.2210280 -0.0000000), wk = 0.0021739 k( 27) = ( 0.2298691 0.2298691 0.0000000), wk = 0.0021739 k( 28) = ( 0.2387102 0.2387102 -0.0000000), wk = 0.0021739 k( 29) = ( 0.2475514 0.2475514 0.0000000), wk = 0.0021739 k( 30) = ( 0.2563925 0.2563925 -0.0000000), wk = 0.0021739 k( 31) = ( 0.2652336 0.2652336 -0.0000000), wk = 0.0021739 k( 32) = ( 0.2740747 0.2740747 -0.0000000), wk = 0.0021739 k( 33) = ( 0.2829158 0.2829158 -0.0000000), wk = 0.0021739 k( 34) = ( 0.2917570 0.2917570 -0.0000000), wk = 0.0021739 k( 35) = ( 0.3005981 0.3005981 -0.0000000), wk = 0.0021739 k( 36) = ( 0.3094392 0.3094392 -0.0000000), wk = 0.0021739 k( 37) = ( 0.3182803 0.3182803 -0.0000000), wk = 0.0021739 k( 38) = ( 0.3271214 0.3271214 -0.0000000), wk = 0.0021739 k( 39) = ( 0.3359626 0.3359626 -0.0000000), wk = 0.0021739 k( 40) = ( 0.3359626 0.3359626 -0.0000000), wk = 0.0021739 k( 41) = ( 0.3191644 0.3441644 0.0000000), wk = 0.0021739 k( 42) = ( 0.3023663 0.3523663 -0.0000000), wk = 0.0021739 k( 43) = ( 0.2855682 0.3605682 -0.0000000), wk = 0.0021739 k( 44) = ( 0.2687700 0.3687700 0.0000000), wk = 0.0021739 k( 45) = ( 0.2519719 0.3769719 -0.0000000), wk = 0.0021739 k( 46) = ( 0.2351738 0.3851738 -0.0000000), wk = 0.0021739 k( 47) = ( 0.2183757 0.3933757 -0.0000000), wk = 0.0021739 k( 48) = ( 0.2015775 0.4015775 -0.0000000), wk = 0.0021739 k( 49) = ( 0.1847794 0.4097794 -0.0000000), wk = 0.0021739 k( 50) = ( 0.1679813 0.4179813 -0.0000000), wk = 0.0021739 k( 51) = ( 0.1511831 0.4261831 -0.0000000), wk = 0.0021739 k( 52) = ( 0.1343850 0.4343850 0.0000000), wk = 0.0021739 k( 53) = ( 0.1175869 0.4425869 -0.0000000), wk = 0.0021739 k( 54) = ( 0.1007888 0.4507888 -0.0000000), wk = 0.0021739 k( 55) = ( 0.0839906 0.4589906 -0.0000000), wk = 0.0021739 k( 56) = ( 0.0671925 0.4671925 0.0000000), wk = 0.0021739 k( 57) = ( 0.0503944 0.4753944 -0.0000000), wk = 0.0021739 k( 58) = ( 0.0335963 0.4835963 -0.0000000), wk = 0.0021739 k( 59) = ( 0.0167981 0.4917981 0.0000000), wk = 0.0021739 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021739 k( 62) = ( 0.0000000 0.5000000 0.0087719), wk = 0.0021739 k( 63) = ( 0.0000000 0.5000000 0.0175439), wk = 0.0021739 k( 64) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0021739 k( 65) = ( 0.0000000 0.5000000 0.0350877), wk = 0.0021739 k( 66) = ( 0.0000000 0.5000000 0.0438597), wk = 0.0021739 k( 67) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0021739 k( 68) = ( 0.0000000 0.5000000 0.0614035), wk = 0.0021739 k( 69) = ( 0.0000000 0.5000000 0.0701754), wk = 0.0021739 k( 70) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0021739 k( 71) = ( 0.0000000 0.5000000 0.0877193), wk = 0.0021739 k( 72) = ( 0.0000000 0.5000000 0.0964912), wk = 0.0021739 k( 73) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0021739 k( 74) = ( 0.0000000 0.5000000 0.1140351), wk = 0.0021739 k( 75) = ( 0.0000000 0.5000000 0.1228070), wk = 0.0021739 k( 76) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0021739 k( 77) = ( 0.0000000 0.5000000 0.1403509), wk = 0.0021739 k( 78) = ( 0.0000000 0.5000000 0.1491228), wk = 0.0021739 k( 79) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0021739 k( 80) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0021739 k( 81) = ( 0.0000000 0.5000000 0.1754386), wk = 0.0021739 k( 82) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0021739 k( 83) = ( 0.0000000 0.5000000 0.1929825), wk = 0.0021739 k( 84) = ( 0.0000000 0.5000000 0.2017544), wk = 0.0021739 k( 85) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0021739 k( 86) = ( 0.0000000 0.5000000 0.2192983), wk = 0.0021739 k( 87) = ( 0.0000000 0.5000000 0.2280702), wk = 0.0021739 k( 88) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0021739 k( 89) = ( 0.0000000 0.5000000 0.2456140), wk = 0.0021739 k( 90) = ( 0.0000000 0.5000000 0.2543860), wk = 0.0021739 k( 91) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0021739 k( 92) = ( 0.0000000 0.5000000 0.2719298), wk = 0.0021739 k( 93) = ( 0.0000000 0.5000000 0.2807018), wk = 0.0021739 k( 94) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0021739 k( 95) = ( 0.0000000 0.5000000 0.2982456), wk = 0.0021739 k( 96) = ( 0.0000000 0.5000000 0.3070175), wk = 0.0021739 k( 97) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0021739 k( 98) = ( 0.0000000 0.5000000 0.3245614), wk = 0.0021739 k( 99) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0021739 k( 100) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0021739 k( 101) = ( 0.0000000 0.5000000 0.3508772), wk = 0.0021739 k( 102) = ( 0.0000000 0.5000000 0.3596491), wk = 0.0021739 k( 103) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0021739 k( 104) = ( 0.0000000 0.5000000 0.3771930), wk = 0.0021739 k( 105) = ( 0.0000000 0.5000000 0.3859649), wk = 0.0021739 k( 106) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0021739 k( 107) = ( 0.0000000 0.5000000 0.4035088), wk = 0.0021739 k( 108) = ( 0.0000000 0.5000000 0.4122807), wk = 0.0021739 k( 109) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0021739 k( 110) = ( 0.0000000 0.5000000 0.4298246), wk = 0.0021739 k( 111) = ( 0.0000000 0.5000000 0.4385965), wk = 0.0021739 k( 112) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0021739 k( 113) = ( 0.0000000 0.5000000 0.4561403), wk = 0.0021739 k( 114) = ( 0.0000000 0.5000000 0.4649123), wk = 0.0021739 k( 115) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0021739 k( 116) = ( 0.0000000 0.5000000 0.4824561), wk = 0.0021739 k( 117) = ( 0.0000000 0.5000000 0.4912281), wk = 0.0021739 k( 118) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 119) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021739 k( 120) = ( 0.0167981 0.4917981 0.5000000), wk = 0.0021739 k( 121) = ( 0.0335963 0.4835963 0.5000000), wk = 0.0021739 k( 122) = ( 0.0503944 0.4753944 0.5000000), wk = 0.0021739 k( 123) = ( 0.0671925 0.4671925 0.5000000), wk = 0.0021739 k( 124) = ( 0.0839906 0.4589906 0.5000000), wk = 0.0021739 k( 125) = ( 0.1007888 0.4507888 0.5000000), wk = 0.0021739 k( 126) = ( 0.1175869 0.4425869 0.5000000), wk = 0.0021739 k( 127) = ( 0.1343850 0.4343850 0.5000000), wk = 0.0021739 k( 128) = ( 0.1511831 0.4261831 0.5000000), wk = 0.0021739 k( 129) = ( 0.1679813 0.4179813 0.5000000), wk = 0.0021739 k( 130) = ( 0.1847794 0.4097794 0.5000000), wk = 0.0021739 k( 131) = ( 0.2015775 0.4015775 0.5000000), wk = 0.0021739 k( 132) = ( 0.2183757 0.3933757 0.5000000), wk = 0.0021739 k( 133) = ( 0.2351738 0.3851738 0.5000000), wk = 0.0021739 k( 134) = ( 0.2519719 0.3769719 0.5000000), wk = 0.0021739 k( 135) = ( 0.2687700 0.3687700 0.5000000), wk = 0.0021739 k( 136) = ( 0.2855682 0.3605682 0.5000000), wk = 0.0021739 k( 137) = ( 0.3023663 0.3523663 0.5000000), wk = 0.0021739 k( 138) = ( 0.3191644 0.3441644 0.5000000), wk = 0.0021739 k( 139) = ( 0.3359626 0.3359626 0.5000000), wk = 0.0021739 k( 140) = ( 0.3359626 0.3359626 0.5000000), wk = 0.0021739 k( 141) = ( 0.3271214 0.3271214 0.5000000), wk = 0.0021739 k( 142) = ( 0.3182803 0.3182803 0.5000000), wk = 0.0021739 k( 143) = ( 0.3094392 0.3094392 0.5000000), wk = 0.0021739 k( 144) = ( 0.3005981 0.3005981 0.5000000), wk = 0.0021739 k( 145) = ( 0.2917570 0.2917570 0.5000000), wk = 0.0021739 k( 146) = ( 0.2829158 0.2829158 0.5000000), wk = 0.0021739 k( 147) = ( 0.2740747 0.2740747 0.5000000), wk = 0.0021739 k( 148) = ( 0.2652336 0.2652336 0.5000000), wk = 0.0021739 k( 149) = ( 0.2563925 0.2563925 0.5000000), wk = 0.0021739 k( 150) = ( 0.2475514 0.2475514 0.5000000), wk = 0.0021739 k( 151) = ( 0.2387102 0.2387102 0.5000000), wk = 0.0021739 k( 152) = ( 0.2298691 0.2298691 0.5000000), wk = 0.0021739 k( 153) = ( 0.2210280 0.2210280 0.5000000), wk = 0.0021739 k( 154) = ( 0.2121869 0.2121869 0.5000000), wk = 0.0021739 k( 155) = ( 0.2033458 0.2033458 0.5000000), wk = 0.0021739 k( 156) = ( 0.1945046 0.1945046 0.5000000), wk = 0.0021739 k( 157) = ( 0.1856635 0.1856635 0.5000000), wk = 0.0021739 k( 158) = ( 0.1768224 0.1768224 0.5000000), wk = 0.0021739 k( 159) = ( 0.1679813 0.1679813 0.5000000), wk = 0.0021739 k( 160) = ( 0.1591402 0.1591402 0.5000000), wk = 0.0021739 k( 161) = ( 0.1502990 0.1502990 0.5000000), wk = 0.0021739 k( 162) = ( 0.1414579 0.1414579 0.5000000), wk = 0.0021739 k( 163) = ( 0.1326168 0.1326168 0.5000000), wk = 0.0021739 k( 164) = ( 0.1237757 0.1237757 0.5000000), wk = 0.0021739 k( 165) = ( 0.1149346 0.1149346 0.5000000), wk = 0.0021739 k( 166) = ( 0.1060934 0.1060934 0.5000000), wk = 0.0021739 k( 167) = ( 0.0972523 0.0972523 0.5000000), wk = 0.0021739 k( 168) = ( 0.0884112 0.0884112 0.5000000), wk = 0.0021739 k( 169) = ( 0.0795701 0.0795701 0.5000000), wk = 0.0021739 k( 170) = ( 0.0707290 0.0707290 0.5000000), wk = 0.0021739 k( 171) = ( 0.0618878 0.0618878 0.5000000), wk = 0.0021739 k( 172) = ( 0.0530467 0.0530467 0.5000000), wk = 0.0021739 k( 173) = ( 0.0442056 0.0442056 0.5000000), wk = 0.0021739 k( 174) = ( 0.0353645 0.0353645 0.5000000), wk = 0.0021739 k( 175) = ( 0.0265234 0.0265234 0.5000000), wk = 0.0021739 k( 176) = ( 0.0176822 0.0176822 0.5000000), wk = 0.0021739 k( 177) = ( 0.0088411 0.0088411 0.5000000), wk = 0.0021739 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 180) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0021739 k( 181) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0021739 k( 182) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0021739 k( 183) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0021739 k( 184) = ( 0.0000000 0.0000000 0.4561403), wk = 0.0021739 k( 185) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0021739 k( 186) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0021739 k( 187) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0021739 k( 188) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0021739 k( 189) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0021739 k( 190) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0021739 k( 191) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0021739 k( 192) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0021739 k( 193) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0021739 k( 194) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0021739 k( 195) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0021739 k( 196) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0021739 k( 197) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0021739 k( 198) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021739 k( 199) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0021739 k( 200) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0021739 k( 201) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0021739 k( 202) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0021739 k( 203) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0021739 k( 204) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0021739 k( 205) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0021739 k( 206) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0021739 k( 207) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0021739 k( 208) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0021739 k( 209) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0021739 k( 210) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0021739 k( 211) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0021739 k( 212) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0021739 k( 213) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0021739 k( 214) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0021739 k( 215) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0021739 k( 216) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0021739 k( 217) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021739 k( 218) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0021739 k( 219) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0021739 k( 220) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0021739 k( 221) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0021739 k( 222) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0021739 k( 223) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0021739 k( 224) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0021739 k( 225) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0021739 k( 226) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0021739 k( 227) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0021739 k( 228) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0021739 k( 229) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0021739 k( 230) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0021739 k( 231) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0021739 k( 232) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0021739 k( 233) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0021739 k( 234) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0021739 k( 235) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0021739 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 237) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021739 k( 238) = ( -0.0151515 0.0151515 -0.0000000), wk = 0.0021739 k( 239) = ( -0.0303030 0.0303030 -0.0000000), wk = 0.0021739 k( 240) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0021739 k( 241) = ( -0.0606061 0.0606061 -0.0000000), wk = 0.0021739 k( 242) = ( -0.0757576 0.0757576 -0.0000000), wk = 0.0021739 k( 243) = ( -0.0909091 0.0909091 -0.0000000), wk = 0.0021739 k( 244) = ( -0.1060606 0.1060606 -0.0000000), wk = 0.0021739 k( 245) = ( -0.1212121 0.1212121 -0.0000000), wk = 0.0021739 k( 246) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0021739 k( 247) = ( -0.1515151 0.1515151 -0.0000000), wk = 0.0021739 k( 248) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0021739 k( 249) = ( -0.1818182 0.1818182 -0.0000000), wk = 0.0021739 k( 250) = ( -0.1969697 0.1969697 -0.0000000), wk = 0.0021739 k( 251) = ( -0.2121212 0.2121212 -0.0000000), wk = 0.0021739 k( 252) = ( -0.2272727 0.2272727 -0.0000000), wk = 0.0021739 k( 253) = ( -0.2424242 0.2424242 -0.0000000), wk = 0.0021739 k( 254) = ( -0.2575758 0.2575758 -0.0000000), wk = 0.0021739 k( 255) = ( -0.2727273 0.2727273 -0.0000000), wk = 0.0021739 k( 256) = ( -0.2878788 0.2878788 -0.0000000), wk = 0.0021739 k( 257) = ( -0.3030303 0.3030303 -0.0000000), wk = 0.0021739 k( 258) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0021739 k( 259) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0021739 k( 260) = ( -0.3484849 0.3484848 -0.0000000), wk = 0.0021739 k( 261) = ( -0.3636364 0.3636364 -0.0000000), wk = 0.0021739 k( 262) = ( -0.3787879 0.3787879 -0.0000000), wk = 0.0021739 k( 263) = ( -0.3939394 0.3939394 -0.0000000), wk = 0.0021739 k( 264) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0021739 k( 265) = ( -0.4242424 0.4242424 -0.0000000), wk = 0.0021739 k( 266) = ( -0.4393939 0.4393939 0.0000000), wk = 0.0021739 k( 267) = ( -0.4545455 0.4545454 -0.0000000), wk = 0.0021739 k( 268) = ( -0.4696970 0.4696970 -0.0000000), wk = 0.0021739 k( 269) = ( -0.4848485 0.4848485 -0.0000000), wk = 0.0021739 k( 270) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 271) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 272) = ( -0.4913665 0.5086335 -0.0000000), wk = 0.0021739 k( 273) = ( -0.4827329 0.5172671 -0.0000000), wk = 0.0021739 k( 274) = ( -0.4740993 0.5259006 -0.0000000), wk = 0.0021739 k( 275) = ( -0.4654658 0.5345342 -0.0000000), wk = 0.0021739 k( 276) = ( -0.4568322 0.5431677 -0.0000000), wk = 0.0021739 k( 277) = ( -0.4481987 0.5518013 0.0000000), wk = 0.0021739 k( 278) = ( -0.4395652 0.5604349 -0.0000000), wk = 0.0021739 k( 279) = ( -0.4309316 0.5690684 -0.0000000), wk = 0.0021739 k( 280) = ( -0.4222980 0.5777020 -0.0000000), wk = 0.0021739 k( 281) = ( -0.4136645 0.5863355 -0.0000000), wk = 0.0021739 k( 282) = ( -0.4050310 0.5949690 -0.0000000), wk = 0.0021739 k( 283) = ( -0.3963974 0.6036026 0.0000000), wk = 0.0021739 k( 284) = ( -0.3877639 0.6122361 -0.0000000), wk = 0.0021739 k( 285) = ( -0.3791303 0.6208697 -0.0000000), wk = 0.0021739 k( 286) = ( -0.3704967 0.6295032 -0.0000000), wk = 0.0021739 k( 287) = ( -0.3618632 0.6381368 -0.0000000), wk = 0.0021739 k( 288) = ( -0.3532297 0.6467703 0.0000000), wk = 0.0021739 k( 289) = ( -0.3445961 0.6554039 -0.0000000), wk = 0.0021739 k( 290) = ( -0.3359626 0.6640374 -0.0000000), wk = 0.0021739 k( 291) = ( -0.3359626 0.6640374 -0.0000000), wk = 0.0021739 k( 292) = ( -0.3359626 0.6640374 0.0087719), wk = 0.0021739 k( 293) = ( -0.3359626 0.6640374 0.0175439), wk = 0.0021739 k( 294) = ( -0.3359626 0.6640374 0.0263158), wk = 0.0021739 k( 295) = ( -0.3359626 0.6640374 0.0350877), wk = 0.0021739 k( 296) = ( -0.3359626 0.6640374 0.0438597), wk = 0.0021739 k( 297) = ( -0.3359626 0.6640374 0.0526316), wk = 0.0021739 k( 298) = ( -0.3359626 0.6640374 0.0614035), wk = 0.0021739 k( 299) = ( -0.3359626 0.6640374 0.0701754), wk = 0.0021739 k( 300) = ( -0.3359626 0.6640374 0.0789474), wk = 0.0021739 k( 301) = ( -0.3359626 0.6640374 0.0877193), wk = 0.0021739 k( 302) = ( -0.3359626 0.6640374 0.0964912), wk = 0.0021739 k( 303) = ( -0.3359626 0.6640374 0.1052632), wk = 0.0021739 k( 304) = ( -0.3359626 0.6640374 0.1140351), wk = 0.0021739 k( 305) = ( -0.3359626 0.6640374 0.1228070), wk = 0.0021739 k( 306) = ( -0.3359626 0.6640374 0.1315790), wk = 0.0021739 k( 307) = ( -0.3359626 0.6640374 0.1403509), wk = 0.0021739 k( 308) = ( -0.3359626 0.6640374 0.1491228), wk = 0.0021739 k( 309) = ( -0.3359626 0.6640374 0.1578947), wk = 0.0021739 k( 310) = ( -0.3359626 0.6640374 0.1666667), wk = 0.0021739 k( 311) = ( -0.3359626 0.6640374 0.1754386), wk = 0.0021739 k( 312) = ( -0.3359626 0.6640374 0.1842105), wk = 0.0021739 k( 313) = ( -0.3359626 0.6640374 0.1929825), wk = 0.0021739 k( 314) = ( -0.3359626 0.6640374 0.2017544), wk = 0.0021739 k( 315) = ( -0.3359626 0.6640374 0.2105263), wk = 0.0021739 k( 316) = ( -0.3359626 0.6640374 0.2192983), wk = 0.0021739 k( 317) = ( -0.3359626 0.6640374 0.2280702), wk = 0.0021739 k( 318) = ( -0.3359626 0.6640374 0.2368421), wk = 0.0021739 k( 319) = ( -0.3359626 0.6640374 0.2456140), wk = 0.0021739 k( 320) = ( -0.3359626 0.6640374 0.2543860), wk = 0.0021739 k( 321) = ( -0.3359626 0.6640374 0.2631579), wk = 0.0021739 k( 322) = ( -0.3359626 0.6640374 0.2719298), wk = 0.0021739 k( 323) = ( -0.3359626 0.6640374 0.2807018), wk = 0.0021739 k( 324) = ( -0.3359626 0.6640374 0.2894737), wk = 0.0021739 k( 325) = ( -0.3359626 0.6640374 0.2982456), wk = 0.0021739 k( 326) = ( -0.3359626 0.6640374 0.3070175), wk = 0.0021739 k( 327) = ( -0.3359626 0.6640374 0.3157895), wk = 0.0021739 k( 328) = ( -0.3359626 0.6640374 0.3245614), wk = 0.0021739 k( 329) = ( -0.3359626 0.6640374 0.3333333), wk = 0.0021739 k( 330) = ( -0.3359626 0.6640374 0.3421053), wk = 0.0021739 k( 331) = ( -0.3359626 0.6640374 0.3508772), wk = 0.0021739 k( 332) = ( -0.3359626 0.6640374 0.3596491), wk = 0.0021739 k( 333) = ( -0.3359626 0.6640374 0.3684211), wk = 0.0021739 k( 334) = ( -0.3359626 0.6640374 0.3771930), wk = 0.0021739 k( 335) = ( -0.3359626 0.6640374 0.3859649), wk = 0.0021739 k( 336) = ( -0.3359626 0.6640374 0.3947368), wk = 0.0021739 k( 337) = ( -0.3359626 0.6640374 0.4035088), wk = 0.0021739 k( 338) = ( -0.3359626 0.6640374 0.4122807), wk = 0.0021739 k( 339) = ( -0.3359626 0.6640374 0.4210526), wk = 0.0021739 k( 340) = ( -0.3359626 0.6640374 0.4298246), wk = 0.0021739 k( 341) = ( -0.3359626 0.6640374 0.4385965), wk = 0.0021739 k( 342) = ( -0.3359626 0.6640374 0.4473684), wk = 0.0021739 k( 343) = ( -0.3359626 0.6640374 0.4561404), wk = 0.0021739 k( 344) = ( -0.3359626 0.6640374 0.4649123), wk = 0.0021739 k( 345) = ( -0.3359626 0.6640374 0.4736842), wk = 0.0021739 k( 346) = ( -0.3359626 0.6640374 0.4824561), wk = 0.0021739 k( 347) = ( -0.3359626 0.6640374 0.4912281), wk = 0.0021739 k( 348) = ( -0.3359626 0.6640374 0.5000000), wk = 0.0021739 k( 349) = ( -0.3359626 0.6640374 0.5000000), wk = 0.0021739 k( 350) = ( -0.3445961 0.6554039 0.5000000), wk = 0.0021739 k( 351) = ( -0.3532297 0.6467703 0.5000000), wk = 0.0021739 k( 352) = ( -0.3618632 0.6381368 0.5000000), wk = 0.0021739 k( 353) = ( -0.3704967 0.6295032 0.5000000), wk = 0.0021739 k( 354) = ( -0.3791303 0.6208697 0.5000000), wk = 0.0021739 k( 355) = ( -0.3877639 0.6122361 0.5000000), wk = 0.0021739 k( 356) = ( -0.3963974 0.6036026 0.5000000), wk = 0.0021739 k( 357) = ( -0.4050310 0.5949690 0.5000000), wk = 0.0021739 k( 358) = ( -0.4136645 0.5863355 0.5000000), wk = 0.0021739 k( 359) = ( -0.4222980 0.5777020 0.5000000), wk = 0.0021739 k( 360) = ( -0.4309316 0.5690684 0.5000000), wk = 0.0021739 k( 361) = ( -0.4395652 0.5604349 0.5000000), wk = 0.0021739 k( 362) = ( -0.4481987 0.5518013 0.5000000), wk = 0.0021739 k( 363) = ( -0.4568322 0.5431677 0.5000000), wk = 0.0021739 k( 364) = ( -0.4654658 0.5345342 0.5000000), wk = 0.0021739 k( 365) = ( -0.4740993 0.5259006 0.5000000), wk = 0.0021739 k( 366) = ( -0.4827329 0.5172671 0.5000000), wk = 0.0021739 k( 367) = ( -0.4913665 0.5086335 0.5000000), wk = 0.0021739 k( 368) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 369) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 k( 370) = ( -0.5000000 0.5000000 0.4912281), wk = 0.0021739 k( 371) = ( -0.5000000 0.5000000 0.4824561), wk = 0.0021739 k( 372) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0021739 k( 373) = ( -0.5000000 0.5000000 0.4649123), wk = 0.0021739 k( 374) = ( -0.5000000 0.5000000 0.4561403), wk = 0.0021739 k( 375) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0021739 k( 376) = ( -0.5000000 0.5000000 0.4385965), wk = 0.0021739 k( 377) = ( -0.5000000 0.5000000 0.4298246), wk = 0.0021739 k( 378) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0021739 k( 379) = ( -0.5000000 0.5000000 0.4122807), wk = 0.0021739 k( 380) = ( -0.5000000 0.5000000 0.4035088), wk = 0.0021739 k( 381) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0021739 k( 382) = ( -0.5000000 0.5000000 0.3859649), wk = 0.0021739 k( 383) = ( -0.5000000 0.5000000 0.3771930), wk = 0.0021739 k( 384) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0021739 k( 385) = ( -0.5000000 0.5000000 0.3596491), wk = 0.0021739 k( 386) = ( -0.5000000 0.5000000 0.3508772), wk = 0.0021739 k( 387) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0021739 k( 388) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0021739 k( 389) = ( -0.5000000 0.5000000 0.3245614), wk = 0.0021739 k( 390) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0021739 k( 391) = ( -0.5000000 0.5000000 0.3070175), wk = 0.0021739 k( 392) = ( -0.5000000 0.5000000 0.2982456), wk = 0.0021739 k( 393) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0021739 k( 394) = ( -0.5000000 0.5000000 0.2807018), wk = 0.0021739 k( 395) = ( -0.5000000 0.5000000 0.2719298), wk = 0.0021739 k( 396) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0021739 k( 397) = ( -0.5000000 0.5000000 0.2543860), wk = 0.0021739 k( 398) = ( -0.5000000 0.5000000 0.2456140), wk = 0.0021739 k( 399) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0021739 k( 400) = ( -0.5000000 0.5000000 0.2280702), wk = 0.0021739 k( 401) = ( -0.5000000 0.5000000 0.2192983), wk = 0.0021739 k( 402) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0021739 k( 403) = ( -0.5000000 0.5000000 0.2017544), wk = 0.0021739 k( 404) = ( -0.5000000 0.5000000 0.1929825), wk = 0.0021739 k( 405) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0021739 k( 406) = ( -0.5000000 0.5000000 0.1754386), wk = 0.0021739 k( 407) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0021739 k( 408) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0021739 k( 409) = ( -0.5000000 0.5000000 0.1491228), wk = 0.0021739 k( 410) = ( -0.5000000 0.5000000 0.1403509), wk = 0.0021739 k( 411) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0021739 k( 412) = ( -0.5000000 0.5000000 0.1228070), wk = 0.0021739 k( 413) = ( -0.5000000 0.5000000 0.1140351), wk = 0.0021739 k( 414) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0021739 k( 415) = ( -0.5000000 0.5000000 0.0964912), wk = 0.0021739 k( 416) = ( -0.5000000 0.5000000 0.0877193), wk = 0.0021739 k( 417) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0021739 k( 418) = ( -0.5000000 0.5000000 0.0701754), wk = 0.0021739 k( 419) = ( -0.5000000 0.5000000 0.0614035), wk = 0.0021739 k( 420) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0021739 k( 421) = ( -0.5000000 0.5000000 0.0438597), wk = 0.0021739 k( 422) = ( -0.5000000 0.5000000 0.0350877), wk = 0.0021739 k( 423) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0021739 k( 424) = ( -0.5000000 0.5000000 0.0175439), wk = 0.0021739 k( 425) = ( -0.5000000 0.5000000 0.0087719), wk = 0.0021739 k( 426) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0021739 k( 427) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021739 k( 428) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0021739 k( 429) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0021739 k( 430) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0021739 k( 431) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0021739 k( 432) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0021739 k( 433) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0021739 k( 434) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0021739 k( 435) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0021739 k( 436) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0021739 k( 437) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0021739 k( 438) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0021739 k( 439) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0021739 k( 440) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0021739 k( 441) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0021739 k( 442) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0021739 k( 443) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0021739 k( 444) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0021739 k( 445) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0021739 k( 446) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0021739 k( 447) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0021739 k( 448) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0021739 k( 449) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0021739 k( 450) = ( -0.3484849 0.3484848 0.5000000), wk = 0.0021739 k( 451) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0021739 k( 452) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0021739 k( 453) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0021739 k( 454) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0021739 k( 455) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0021739 k( 456) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0021739 k( 457) = ( -0.4545455 0.4545454 0.5000000), wk = 0.0021739 k( 458) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0021739 k( 459) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0021739 k( 460) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0021739 Dense grid: 20719 G-vectors FFT dimensions: ( 45, 45, 24) Smooth grid: 19647 G-vectors FFT dimensions: ( 45, 45, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 144, 36) NL pseudopotentials 0.19 Mb ( 72, 170) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 576) G-vector shells 0.00 Mb ( 301) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 144, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.19 Mb ( 170, 2, 36) The potential is recalculated from file : ./SiS4.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.1 secs Computing kpt #: 23 total cpu time spent up to now is 7.3 secs Computing kpt #: 24 total cpu time spent up to now is 7.6 secs Computing kpt #: 25 total cpu time spent up to now is 7.8 secs Computing kpt #: 26 total cpu time spent up to now is 8.0 secs Computing kpt #: 27 total cpu time spent up to now is 8.3 secs Computing kpt #: 28 total cpu time spent up to now is 8.5 secs Computing kpt #: 29 total cpu time spent up to now is 8.7 secs Computing kpt #: 30 total cpu time spent up to now is 8.9 secs Computing kpt #: 31 total cpu time spent up to now is 9.2 secs Computing kpt #: 32 total cpu time spent up to now is 9.4 secs Computing kpt #: 33 total cpu time spent up to now is 9.6 secs Computing kpt #: 34 total cpu time spent up to now is 9.8 secs Computing kpt #: 35 total cpu time spent up to now is 10.1 secs Computing kpt #: 36 total cpu time spent up to now is 10.3 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 10.9 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.4 secs Computing kpt #: 42 total cpu time spent up to now is 11.6 secs Computing kpt #: 43 total cpu time spent up to now is 11.8 secs Computing kpt #: 44 total cpu time spent up to now is 12.0 secs Computing kpt #: 45 total cpu time spent up to now is 12.3 secs Computing kpt #: 46 total cpu time spent up to now is 12.5 secs Computing kpt #: 47 total cpu time spent up to now is 12.7 secs Computing kpt #: 48 total cpu time spent up to now is 12.9 secs Computing kpt #: 49 total cpu time spent up to now is 13.1 secs Computing kpt #: 50 total cpu time spent up to now is 13.4 secs Computing kpt #: 51 total cpu time spent up to now is 13.7 secs Computing kpt #: 52 total cpu time spent up to now is 13.9 secs Computing kpt #: 53 total cpu time spent up to now is 14.1 secs Computing kpt #: 54 total cpu time spent up to now is 14.4 secs Computing kpt #: 55 total cpu time spent up to now is 14.6 secs Computing kpt #: 56 total cpu time spent up to now is 14.8 secs Computing kpt #: 57 total cpu time spent up to now is 15.1 secs Computing kpt #: 58 total cpu time spent up to now is 15.3 secs Computing kpt #: 59 total cpu time spent up to now is 15.5 secs Computing kpt #: 60 total cpu time spent up to now is 15.8 secs Computing kpt #: 61 total cpu time spent up to now is 16.0 secs Computing kpt #: 62 total cpu time spent up to now is 16.3 secs Computing kpt #: 63 total cpu time spent up to now is 16.5 secs Computing kpt #: 64 total cpu time spent up to now is 16.8 secs Computing kpt #: 65 total cpu time spent up to now is 17.0 secs Computing kpt #: 66 total cpu time spent up to now is 17.3 secs Computing kpt #: 67 total cpu time spent up to now is 17.5 secs Computing kpt #: 68 total cpu time spent up to now is 17.7 secs Computing kpt #: 69 total cpu time spent up to now is 18.0 secs Computing kpt #: 70 total cpu time spent up to now is 18.2 secs Computing kpt #: 71 total cpu time spent up to now is 18.4 secs Computing kpt #: 72 total cpu time spent up to now is 18.6 secs Computing kpt #: 73 total cpu time spent up to now is 18.8 secs Computing kpt #: 74 total cpu time spent up to now is 19.1 secs Computing kpt #: 75 total cpu time spent up to now is 19.3 secs Computing kpt #: 76 total cpu time spent up to now is 19.5 secs Computing kpt #: 77 total cpu time spent up to now is 19.8 secs Computing kpt #: 78 total cpu time spent up to now is 20.0 secs Computing kpt #: 79 total cpu time spent up to now is 20.3 secs Computing kpt #: 80 total cpu time spent up to now is 20.5 secs Computing kpt #: 81 total cpu time spent up to now is 20.7 secs Computing kpt #: 82 total cpu time spent up to now is 21.0 secs Computing kpt #: 83 total cpu time spent up to now is 21.2 secs Computing kpt #: 84 total cpu time spent up to now is 21.4 secs Computing kpt #: 85 total cpu time spent up to now is 21.7 secs Computing kpt #: 86 total cpu time spent up to now is 22.0 secs Computing kpt #: 87 total cpu time spent up to now is 22.3 secs Computing kpt #: 88 total cpu time spent up to now is 22.5 secs Computing kpt #: 89 total cpu time spent up to now is 22.8 secs Computing kpt #: 90 total cpu time spent up to now is 23.0 secs Computing kpt #: 91 total cpu time spent up to now is 23.3 secs Computing kpt #: 92 total cpu time spent up to now is 23.5 secs Computing kpt #: 93 total cpu time spent up to now is 23.7 secs Computing kpt #: 94 total cpu time spent up to now is 24.0 secs Computing kpt #: 95 total cpu time spent up to now is 24.2 secs Computing kpt #: 96 total cpu time spent up to now is 24.4 secs Computing kpt #: 97 total cpu time spent up to now is 24.7 secs Computing kpt #: 98 total cpu time spent up to now is 24.9 secs Computing kpt #: 99 total cpu time spent up to now is 25.1 secs Computing kpt #: 100 total cpu time spent up to now is 25.4 secs Computing kpt #: 101 total cpu time spent up to now is 25.6 secs Computing kpt #: 102 total cpu time spent up to now is 25.8 secs Computing kpt #: 103 total cpu time spent up to now is 26.1 secs Computing kpt #: 104 total cpu time spent up to now is 26.3 secs Computing kpt #: 105 total cpu time spent up to now is 26.5 secs Computing kpt #: 106 total cpu time spent up to now is 26.8 secs Computing kpt #: 107 total cpu time spent up to now is 27.0 secs Computing kpt #: 108 total cpu time spent up to now is 27.2 secs Computing kpt #: 109 total cpu time spent up to now is 27.4 secs Computing kpt #: 110 total cpu time spent up to now is 27.7 secs Computing kpt #: 111 total cpu time spent up to now is 27.9 secs Computing kpt #: 112 total cpu time spent up to now is 28.1 secs Computing kpt #: 113 total cpu time spent up to now is 28.4 secs Computing kpt #: 114 total cpu time spent up to now is 28.6 secs Computing kpt #: 115 total cpu time spent up to now is 28.8 secs Computing kpt #: 116 total cpu time spent up to now is 29.0 secs Computing kpt #: 117 total cpu time spent up to now is 29.3 secs Computing kpt #: 118 total cpu time spent up to now is 29.5 secs Computing kpt #: 119 total cpu time spent up to now is 29.7 secs Computing kpt #: 120 total cpu time spent up to now is 29.9 secs Computing kpt #: 121 total cpu time spent up to now is 30.2 secs Computing kpt #: 122 total cpu time spent up to now is 30.4 secs Computing kpt #: 123 total cpu time spent up to now is 30.6 secs Computing kpt #: 124 total cpu time spent up to now is 30.9 secs Computing kpt #: 125 total cpu time spent up to now is 31.2 secs Computing kpt #: 126 total cpu time spent up to now is 31.4 secs Computing kpt #: 127 total cpu time spent up to now is 31.7 secs Computing kpt #: 128 total cpu time spent up to now is 32.0 secs Computing kpt #: 129 total cpu time spent up to now is 32.2 secs Computing kpt #: 130 total cpu time spent up to now is 32.5 secs Computing kpt #: 131 total cpu time spent up to now is 32.8 secs Computing kpt #: 132 total cpu time spent up to now is 33.1 secs Computing kpt #: 133 total cpu time spent up to now is 33.3 secs Computing kpt #: 134 total cpu time spent up to now is 33.6 secs Computing kpt #: 135 total cpu time spent up to now is 33.9 secs Computing kpt #: 136 total cpu time spent up to now is 34.1 secs Computing kpt #: 137 total cpu time spent up to now is 34.4 secs Computing kpt #: 138 total cpu time spent up to now is 34.7 secs Computing kpt #: 139 total cpu time spent up to now is 34.9 secs Computing kpt #: 140 total cpu time spent up to now is 35.2 secs Computing kpt #: 141 total cpu time spent up to now is 35.5 secs Computing kpt #: 142 total cpu time spent up to now is 35.7 secs Computing kpt #: 143 total cpu time spent up to now is 36.0 secs Computing kpt #: 144 total cpu time spent up to now is 36.3 secs Computing kpt #: 145 total cpu time spent up to now is 36.5 secs Computing kpt #: 146 total cpu time spent up to now is 36.8 secs Computing kpt #: 147 total cpu time spent up to now is 37.1 secs Computing kpt #: 148 total cpu time spent up to now is 37.4 secs Computing kpt #: 149 total cpu time spent up to now is 37.6 secs Computing kpt #: 150 total cpu time spent up to now is 37.9 secs Computing kpt #: 151 total cpu time spent up to now is 38.2 secs Computing kpt #: 152 total cpu time spent up to now is 38.4 secs Computing kpt #: 153 total cpu time spent up to now is 38.7 secs Computing kpt #: 154 total cpu time spent up to now is 38.9 secs Computing kpt #: 155 total cpu time spent up to now is 39.2 secs Computing kpt #: 156 total cpu time spent up to now is 39.4 secs Computing kpt #: 157 total cpu time spent up to now is 39.7 secs Computing kpt #: 158 total cpu time spent up to now is 40.0 secs Computing kpt #: 159 total cpu time spent up to now is 40.2 secs Computing kpt #: 160 total cpu time spent up to now is 40.5 secs Computing kpt #: 161 total cpu time spent up to now is 40.7 secs Computing kpt #: 162 total cpu time spent up to now is 41.0 secs Computing kpt #: 163 total cpu time spent up to now is 41.2 secs Computing kpt #: 164 total cpu time spent up to now is 41.5 secs Computing kpt #: 165 total cpu time spent up to now is 41.7 secs Computing kpt #: 166 total cpu time spent up to now is 42.0 secs Computing kpt #: 167 total cpu time spent up to now is 42.3 secs Computing kpt #: 168 total cpu time spent up to now is 42.5 secs Computing kpt #: 169 total cpu time spent up to now is 42.8 secs Computing kpt #: 170 total cpu time spent up to now is 43.0 secs Computing kpt #: 171 total cpu time spent up to now is 43.2 secs Computing kpt #: 172 total cpu time spent up to now is 43.5 secs Computing kpt #: 173 total cpu time spent up to now is 43.7 secs Computing kpt #: 174 total cpu time spent up to now is 44.0 secs Computing kpt #: 175 total cpu time spent up to now is 44.2 secs Computing kpt #: 176 total cpu time spent up to now is 44.5 secs Computing kpt #: 177 total cpu time spent up to now is 44.7 secs Computing kpt #: 178 total cpu time spent up to now is 44.9 secs Computing kpt #: 179 total cpu time spent up to now is 45.2 secs Computing kpt #: 180 total cpu time spent up to now is 45.4 secs Computing kpt #: 181 total cpu time spent up to now is 45.7 secs Computing kpt #: 182 total cpu time spent up to now is 45.9 secs Computing kpt #: 183 total cpu time spent up to now is 46.1 secs Computing kpt #: 184 total cpu time spent up to now is 46.4 secs Computing kpt #: 185 total cpu time spent up to now is 46.6 secs Computing kpt #: 186 total cpu time spent up to now is 46.9 secs Computing kpt #: 187 total cpu time spent up to now is 47.2 secs Computing kpt #: 188 total cpu time spent up to now is 47.4 secs Computing kpt #: 189 total cpu time spent up to now is 47.7 secs Computing kpt #: 190 total cpu time spent up to now is 47.9 secs Computing kpt #: 191 total cpu time spent up to now is 48.2 secs Computing kpt #: 192 total cpu time spent up to now is 48.4 secs Computing kpt #: 193 total cpu time spent up to now is 48.7 secs Computing kpt #: 194 total cpu time spent up to now is 48.9 secs Computing kpt #: 195 total cpu time spent up to now is 49.2 secs Computing kpt #: 196 total cpu time spent up to now is 49.5 secs Computing kpt #: 197 total cpu time spent up to now is 49.8 secs Computing kpt #: 198 total cpu time spent up to now is 50.0 secs Computing kpt #: 199 total cpu time spent up to now is 50.3 secs Computing kpt #: 200 total cpu time spent up to now is 50.6 secs Computing kpt #: 201 total cpu time spent up to now is 50.8 secs Computing kpt #: 202 total cpu time spent up to now is 51.1 secs Computing kpt #: 203 total cpu time spent up to now is 51.4 secs Computing kpt #: 204 total cpu time spent up to now is 51.7 secs Computing kpt #: 205 total cpu time spent up to now is 51.9 secs Computing kpt #: 206 total cpu time spent up to now is 52.2 secs Computing kpt #: 207 total cpu time spent up to now is 52.4 secs Computing kpt #: 208 total cpu time spent up to now is 52.7 secs Computing kpt #: 209 total cpu time spent up to now is 52.9 secs Computing kpt #: 210 total cpu time spent up to now is 53.1 secs Computing kpt #: 211 total cpu time spent up to now is 53.4 secs Computing kpt #: 212 total cpu time spent up to now is 53.6 secs Computing kpt #: 213 total cpu time spent up to now is 53.8 secs Computing kpt #: 214 total cpu time spent up to now is 54.1 secs Computing kpt #: 215 total cpu time spent up to now is 54.3 secs Computing kpt #: 216 total cpu time spent up to now is 54.5 secs Computing kpt #: 217 total cpu time spent up to now is 54.8 secs Computing kpt #: 218 total cpu time spent up to now is 55.0 secs Computing kpt #: 219 total cpu time spent up to now is 55.2 secs Computing kpt #: 220 total cpu time spent up to now is 55.5 secs Computing kpt #: 221 total cpu time spent up to now is 55.7 secs Computing kpt #: 222 total cpu time spent up to now is 55.9 secs Computing kpt #: 223 total cpu time spent up to now is 56.2 secs Computing kpt #: 224 total cpu time spent up to now is 56.4 secs Computing kpt #: 225 total cpu time spent up to now is 56.6 secs Computing kpt #: 226 total cpu time spent up to now is 56.9 secs Computing kpt #: 227 total cpu time spent up to now is 57.1 secs Computing kpt #: 228 total cpu time spent up to now is 57.3 secs Computing kpt #: 229 total cpu time spent up to now is 57.6 secs Computing kpt #: 230 total cpu time spent up to now is 57.8 secs Computing kpt #: 231 total cpu time spent up to now is 58.0 secs Computing kpt #: 232 total cpu time spent up to now is 58.2 secs Computing kpt #: 233 total cpu time spent up to now is 58.5 secs Computing kpt #: 234 total cpu time spent up to now is 58.7 secs Computing kpt #: 235 total cpu time spent up to now is 58.9 secs Computing kpt #: 236 total cpu time spent up to now is 59.1 secs Computing kpt #: 237 total cpu time spent up to now is 59.4 secs Computing kpt #: 238 total cpu time spent up to now is 59.6 secs Computing kpt #: 239 total cpu time spent up to now is 59.8 secs Computing kpt #: 240 total cpu time spent up to now is 60.1 secs Computing kpt #: 241 total cpu time spent up to now is 60.3 secs Computing kpt #: 242 total cpu time spent up to now is 60.5 secs Computing kpt #: 243 total cpu time spent up to now is 60.8 secs Computing kpt #: 244 total cpu time spent up to now is 61.0 secs Computing kpt #: 245 total cpu time spent up to now is 61.3 secs Computing kpt #: 246 total cpu time spent up to now is 61.5 secs Computing kpt #: 247 total cpu time spent up to now is 61.8 secs Computing kpt #: 248 total cpu time spent up to now is 62.0 secs Computing kpt #: 249 total cpu time spent up to now is 62.3 secs Computing kpt #: 250 total cpu time spent up to now is 62.5 secs Computing kpt #: 251 total cpu time spent up to now is 62.7 secs Computing kpt #: 252 total cpu time spent up to now is 62.9 secs Computing kpt #: 253 total cpu time spent up to now is 63.2 secs Computing kpt #: 254 total cpu time spent up to now is 63.4 secs Computing kpt #: 255 total cpu time spent up to now is 63.6 secs Computing kpt #: 256 total cpu time spent up to now is 63.9 secs Computing kpt #: 257 total cpu time spent up to now is 64.1 secs Computing kpt #: 258 total cpu time spent up to now is 64.3 secs Computing kpt #: 259 total cpu time spent up to now is 64.5 secs Computing kpt #: 260 total cpu time spent up to now is 64.8 secs Computing kpt #: 261 total cpu time spent up to now is 65.0 secs Computing kpt #: 262 total cpu time spent up to now is 65.2 secs Computing kpt #: 263 total cpu time spent up to now is 65.4 secs Computing kpt #: 264 total cpu time spent up to now is 65.7 secs Computing kpt #: 265 total cpu time spent up to now is 65.9 secs Computing kpt #: 266 total cpu time spent up to now is 66.1 secs Computing kpt #: 267 total cpu time spent up to now is 66.3 secs Computing kpt #: 268 total cpu time spent up to now is 66.6 secs Computing kpt #: 269 total cpu time spent up to now is 66.8 secs Computing kpt #: 270 total cpu time spent up to now is 67.0 secs Computing kpt #: 271 total cpu time spent up to now is 67.2 secs Computing kpt #: 272 total cpu time spent up to now is 67.4 secs Computing kpt #: 273 total cpu time spent up to now is 67.6 secs Computing kpt #: 274 total cpu time spent up to now is 67.8 secs Computing kpt #: 275 total cpu time spent up to now is 68.0 secs Computing kpt #: 276 total cpu time spent up to now is 68.2 secs Computing kpt #: 277 total cpu time spent up to now is 68.4 secs Computing kpt #: 278 total cpu time spent up to now is 68.7 secs Computing kpt #: 279 total cpu time spent up to now is 68.9 secs Computing kpt #: 280 total cpu time spent up to now is 69.1 secs Computing kpt #: 281 total cpu time spent up to now is 69.4 secs Computing kpt #: 282 total cpu time spent up to now is 69.6 secs Computing kpt #: 283 total cpu time spent up to now is 69.8 secs Computing kpt #: 284 total cpu time spent up to now is 70.0 secs Computing kpt #: 285 total cpu time spent up to now is 70.2 secs Computing kpt #: 286 total cpu time spent up to now is 70.4 secs Computing kpt #: 287 total cpu time spent up to now is 70.7 secs Computing kpt #: 288 total cpu time spent up to now is 70.9 secs Computing kpt #: 289 total cpu time spent up to now is 71.1 secs Computing kpt #: 290 total cpu time spent up to now is 71.3 secs Computing kpt #: 291 total cpu time spent up to now is 71.5 secs Computing kpt #: 292 total cpu time spent up to now is 71.7 secs Computing kpt #: 293 total cpu time spent up to now is 72.0 secs Computing kpt #: 294 total cpu time spent up to now is 72.2 secs Computing kpt #: 295 total cpu time spent up to now is 72.4 secs Computing kpt #: 296 total cpu time spent up to now is 72.6 secs Computing kpt #: 297 total cpu time spent up to now is 72.8 secs Computing kpt #: 298 total cpu time spent up to now is 73.0 secs Computing kpt #: 299 total cpu time spent up to now is 73.3 secs Computing kpt #: 300 total cpu time spent up to now is 73.5 secs Computing kpt #: 301 total cpu time spent up to now is 73.7 secs Computing kpt #: 302 total cpu time spent up to now is 73.9 secs Computing kpt #: 303 total cpu time spent up to now is 74.1 secs Computing kpt #: 304 total cpu time spent up to now is 74.4 secs Computing kpt #: 305 total cpu time spent up to now is 74.6 secs Computing kpt #: 306 total cpu time spent up to now is 74.8 secs Computing kpt #: 307 total cpu time spent up to now is 75.0 secs Computing kpt #: 308 total cpu time spent up to now is 75.3 secs Computing kpt #: 309 total cpu time spent up to now is 75.5 secs Computing kpt #: 310 total cpu time spent up to now is 75.8 secs Computing kpt #: 311 total cpu time spent up to now is 76.0 secs Computing kpt #: 312 total cpu time spent up to now is 76.2 secs Computing kpt #: 313 total cpu time spent up to now is 76.5 secs Computing kpt #: 314 total cpu time spent up to now is 76.7 secs Computing kpt #: 315 total cpu time spent up to now is 76.9 secs Computing kpt #: 316 total cpu time spent up to now is 77.2 secs Computing kpt #: 317 total cpu time spent up to now is 77.4 secs Computing kpt #: 318 total cpu time spent up to now is 77.7 secs Computing kpt #: 319 total cpu time spent up to now is 77.9 secs Computing kpt #: 320 total cpu time spent up to now is 78.2 secs Computing kpt #: 321 total cpu time spent up to now is 78.5 secs Computing kpt #: 322 total cpu time spent up to now is 78.7 secs Computing kpt #: 323 total cpu time spent up to now is 79.0 secs Computing kpt #: 324 total cpu time spent up to now is 79.2 secs Computing kpt #: 325 total cpu time spent up to now is 79.5 secs Computing kpt #: 326 total cpu time spent up to now is 79.7 secs Computing kpt #: 327 total cpu time spent up to now is 80.0 secs Computing kpt #: 328 total cpu time spent up to now is 80.2 secs Computing kpt #: 329 total cpu time spent up to now is 80.5 secs Computing kpt #: 330 total cpu time spent up to now is 80.7 secs Computing kpt #: 331 total cpu time spent up to now is 81.0 secs Computing kpt #: 332 total cpu time spent up to now is 81.3 secs Computing kpt #: 333 total cpu time spent up to now is 81.6 secs Computing kpt #: 334 total cpu time spent up to now is 81.9 secs Computing kpt #: 335 total cpu time spent up to now is 82.2 secs Computing kpt #: 336 total cpu time spent up to now is 82.5 secs Computing kpt #: 337 total cpu time spent up to now is 82.8 secs Computing kpt #: 338 total cpu time spent up to now is 83.1 secs Computing kpt #: 339 total cpu time spent up to now is 83.4 secs Computing kpt #: 340 total cpu time spent up to now is 83.7 secs Computing kpt #: 341 total cpu time spent up to now is 84.0 secs Computing kpt #: 342 total cpu time spent up to now is 84.3 secs Computing kpt #: 343 total cpu time spent up to now is 84.5 secs Computing kpt #: 344 total cpu time spent up to now is 84.8 secs Computing kpt #: 345 total cpu time spent up to now is 85.1 secs Computing kpt #: 346 total cpu time spent up to now is 85.3 secs Computing kpt #: 347 total cpu time spent up to now is 85.6 secs Computing kpt #: 348 total cpu time spent up to now is 85.9 secs Computing kpt #: 349 total cpu time spent up to now is 86.1 secs Computing kpt #: 350 total cpu time spent up to now is 86.4 secs Computing kpt #: 351 total cpu time spent up to now is 86.6 secs Computing kpt #: 352 total cpu time spent up to now is 86.9 secs Computing kpt #: 353 total cpu time spent up to now is 87.2 secs Computing kpt #: 354 total cpu time spent up to now is 87.4 secs Computing kpt #: 355 total cpu time spent up to now is 87.7 secs Computing kpt #: 356 total cpu time spent up to now is 87.9 secs Computing kpt #: 357 total cpu time spent up to now is 88.2 secs Computing kpt #: 358 total cpu time spent up to now is 88.4 secs Computing kpt #: 359 total cpu time spent up to now is 88.7 secs Computing kpt #: 360 total cpu time spent up to now is 89.0 secs Computing kpt #: 361 total cpu time spent up to now is 89.2 secs Computing kpt #: 362 total cpu time spent up to now is 89.5 secs Computing kpt #: 363 total cpu time spent up to now is 89.7 secs Computing kpt #: 364 total cpu time spent up to now is 90.0 secs Computing kpt #: 365 total cpu time spent up to now is 90.2 secs Computing kpt #: 366 total cpu time spent up to now is 90.5 secs Computing kpt #: 367 total cpu time spent up to now is 90.7 secs Computing kpt #: 368 total cpu time spent up to now is 91.0 secs Computing kpt #: 369 total cpu time spent up to now is 91.2 secs Computing kpt #: 370 total cpu time spent up to now is 91.5 secs Computing kpt #: 371 total cpu time spent up to now is 91.7 secs Computing kpt #: 372 total cpu time spent up to now is 92.0 secs Computing kpt #: 373 total cpu time spent up to now is 92.2 secs Computing kpt #: 374 total cpu time spent up to now is 92.5 secs Computing kpt #: 375 total cpu time spent up to now is 92.7 secs Computing kpt #: 376 total cpu time spent up to now is 93.0 secs Computing kpt #: 377 total cpu time spent up to now is 93.2 secs Computing kpt #: 378 total cpu time spent up to now is 93.5 secs Computing kpt #: 379 total cpu time spent up to now is 93.7 secs Computing kpt #: 380 total cpu time spent up to now is 94.0 secs Computing kpt #: 381 total cpu time spent up to now is 94.3 secs Computing kpt #: 382 total cpu time spent up to now is 94.5 secs Computing kpt #: 383 total cpu time spent up to now is 94.8 secs Computing kpt #: 384 total cpu time spent up to now is 95.1 secs Computing kpt #: 385 total cpu time spent up to now is 95.3 secs Computing kpt #: 386 total cpu time spent up to now is 95.6 secs Computing kpt #: 387 total cpu time spent up to now is 95.9 secs Computing kpt #: 388 total cpu time spent up to now is 96.1 secs Computing kpt #: 389 total cpu time spent up to now is 96.4 secs Computing kpt #: 390 total cpu time spent up to now is 96.6 secs Computing kpt #: 391 total cpu time spent up to now is 96.9 secs Computing kpt #: 392 total cpu time spent up to now is 97.2 secs Computing kpt #: 393 total cpu time spent up to now is 97.4 secs Computing kpt #: 394 total cpu time spent up to now is 97.7 secs Computing kpt #: 395 total cpu time spent up to now is 98.0 secs Computing kpt #: 396 total cpu time spent up to now is 98.3 secs Computing kpt #: 397 total cpu time spent up to now is 98.5 secs Computing kpt #: 398 total cpu time spent up to now is 98.7 secs Computing kpt #: 399 total cpu time spent up to now is 98.9 secs Computing kpt #: 400 total cpu time spent up to now is 99.2 secs Computing kpt #: 401 total cpu time spent up to now is 99.4 secs Computing kpt #: 402 total cpu time spent up to now is 99.6 secs Computing kpt #: 403 total cpu time spent up to now is 99.9 secs Computing kpt #: 404 total cpu time spent up to now is 100.1 secs Computing kpt #: 405 total cpu time spent up to now is 100.3 secs Computing kpt #: 406 total cpu time spent up to now is 100.5 secs Computing kpt #: 407 total cpu time spent up to now is 100.8 secs Computing kpt #: 408 total cpu time spent up to now is 101.0 secs Computing kpt #: 409 total cpu time spent up to now is 101.2 secs Computing kpt #: 410 total cpu time spent up to now is 101.5 secs Computing kpt #: 411 total cpu time spent up to now is 101.7 secs Computing kpt #: 412 total cpu time spent up to now is 101.9 secs Computing kpt #: 413 total cpu time spent up to now is 102.1 secs Computing kpt #: 414 total cpu time spent up to now is 102.3 secs Computing kpt #: 415 total cpu time spent up to now is 102.5 secs Computing kpt #: 416 total cpu time spent up to now is 102.7 secs Computing kpt #: 417 total cpu time spent up to now is 102.9 secs Computing kpt #: 418 total cpu time spent up to now is 103.1 secs Computing kpt #: 419 total cpu time spent up to now is 103.3 secs Computing kpt #: 420 total cpu time spent up to now is 103.5 secs Computing kpt #: 421 total cpu time spent up to now is 103.7 secs Computing kpt #: 422 total cpu time spent up to now is 103.9 secs Computing kpt #: 423 total cpu time spent up to now is 104.1 secs Computing kpt #: 424 total cpu time spent up to now is 104.3 secs Computing kpt #: 425 total cpu time spent up to now is 104.5 secs Computing kpt #: 426 total cpu time spent up to now is 104.7 secs Computing kpt #: 427 total cpu time spent up to now is 105.0 secs Computing kpt #: 428 total cpu time spent up to now is 105.2 secs Computing kpt #: 429 total cpu time spent up to now is 105.5 secs Computing kpt #: 430 total cpu time spent up to now is 105.7 secs Computing kpt #: 431 total cpu time spent up to now is 106.0 secs Computing kpt #: 432 total cpu time spent up to now is 106.2 secs Computing kpt #: 433 total cpu time spent up to now is 106.5 secs Computing kpt #: 434 total cpu time spent up to now is 106.8 secs Computing kpt #: 435 total cpu time spent up to now is 107.0 secs Computing kpt #: 436 total cpu time spent up to now is 107.3 secs Computing kpt #: 437 total cpu time spent up to now is 107.5 secs Computing kpt #: 438 total cpu time spent up to now is 107.7 secs Computing kpt #: 439 total cpu time spent up to now is 108.0 secs Computing kpt #: 440 total cpu time spent up to now is 108.2 secs Computing kpt #: 441 total cpu time spent up to now is 108.4 secs Computing kpt #: 442 total cpu time spent up to now is 108.7 secs Computing kpt #: 443 total cpu time spent up to now is 108.9 secs Computing kpt #: 444 total cpu time spent up to now is 109.1 secs Computing kpt #: 445 total cpu time spent up to now is 109.4 secs Computing kpt #: 446 total cpu time spent up to now is 109.7 secs Computing kpt #: 447 total cpu time spent up to now is 109.9 secs Computing kpt #: 448 total cpu time spent up to now is 110.2 secs Computing kpt #: 449 total cpu time spent up to now is 110.4 secs Computing kpt #: 450 total cpu time spent up to now is 110.7 secs Computing kpt #: 451 total cpu time spent up to now is 110.9 secs Computing kpt #: 452 total cpu time spent up to now is 111.2 secs Computing kpt #: 453 total cpu time spent up to now is 111.5 secs Computing kpt #: 454 total cpu time spent up to now is 111.7 secs Computing kpt #: 455 total cpu time spent up to now is 112.0 secs Computing kpt #: 456 total cpu time spent up to now is 112.2 secs Computing kpt #: 457 total cpu time spent up to now is 112.5 secs Computing kpt #: 458 total cpu time spent up to now is 112.7 secs Computing kpt #: 459 total cpu time spent up to now is 113.0 secs Computing kpt #: 460 total cpu time spent up to now is 113.2 secs ethr = 3.57E-08, avg # of iterations = 16.5 total cpu time spent up to now is 113.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -10.0342 -10.0342 -5.5412 -5.5412 -5.2161 -5.2161 -3.0497 -3.0497 -0.5535 -0.5535 2.3390 2.3390 3.9216 3.9216 6.4728 6.4728 6.8448 6.8448 8.4206 8.4206 9.3816 9.3816 9.8318 9.8318 10.0521 10.0521 10.7938 10.7938 11.8377 11.8377 11.8522 11.8522 12.4567 12.4567 13.7576 13.7576 k = 0.0088 0.0151-0.0000 ( 2475 PWs) bands (ev): -10.0338 -10.0338 -5.5425 -5.5425 -5.2171 -5.2171 -3.0491 -3.0491 -0.5512 -0.5512 2.3409 2.3409 3.9245 3.9245 6.4731 6.4731 6.8420 6.8420 8.4159 8.4159 9.3725 9.3725 9.8312 9.8312 10.0517 10.0517 10.7988 10.7988 11.8382 11.8382 11.8525 11.8525 12.4497 12.4497 13.7618 13.7618 k = 0.0177 0.0302-0.0000 ( 2481 PWs) bands (ev): -10.0327 -10.0327 -5.5466 -5.5466 -5.2200 -5.2200 -3.0471 -3.0471 -0.5445 -0.5445 2.3469 2.3469 3.9332 3.9332 6.4739 6.4739 6.8338 6.8338 8.4017 8.4017 9.3454 9.3454 9.8292 9.8292 10.0504 10.0504 10.8134 10.8134 11.8398 11.8398 11.8535 11.8535 12.4289 12.4289 13.7741 13.7741 k = 0.0265 0.0452-0.0000 ( 2475 PWs) bands (ev): -10.0308 -10.0308 -5.5533 -5.5533 -5.2247 -5.2247 -3.0439 -3.0439 -0.5333 -0.5333 2.3568 2.3568 3.9476 3.9476 6.4751 6.4751 6.8201 6.8201 8.3786 8.3786 9.3012 9.3012 9.8259 9.8259 10.0483 10.0483 10.8374 10.8374 11.8424 11.8424 11.8551 11.8551 12.3948 12.3948 13.7944 13.7944 k = 0.0354 0.0603-0.0000 ( 2477 PWs) bands (ev): -10.0282 -10.0282 -5.5627 -5.5627 -5.2314 -5.2314 -3.0393 -3.0393 -0.5178 -0.5178 2.3705 2.3705 3.9677 3.9677 6.4769 6.4769 6.8011 6.8011 8.3472 8.3472 9.2410 9.2410 9.8213 9.8213 10.0454 10.0454 10.8702 10.8702 11.8459 11.8459 11.8575 11.8575 12.3480 12.3480 13.8219 13.8219 k = 0.0442 0.0754-0.0000 ( 2477 PWs) bands (ev): -10.0249 -10.0249 -5.5745 -5.5745 -5.2400 -5.2400 -3.0333 -3.0333 -0.4980 -0.4980 2.3880 2.3880 3.9932 3.9932 6.4792 6.4792 6.7767 6.7767 8.3081 8.3081 9.1665 9.1665 9.8155 9.8155 10.0415 10.0415 10.9109 10.9109 11.8504 11.8504 11.8605 11.8605 12.2895 12.2895 13.8560 13.8560 k = 0.0530 0.0905-0.0000 ( 2473 PWs) bands (ev): -10.0209 -10.0209 -5.5886 -5.5886 -5.2504 -5.2504 -3.0260 -3.0260 -0.4742 -0.4742 2.4093 2.4093 4.0240 4.0240 6.4820 6.4820 6.7472 6.7472 8.2623 8.2623 9.0795 9.0795 9.8085 9.8085 10.0369 10.0369 10.9588 10.9588 11.8556 11.8556 11.8642 11.8642 12.2204 12.2204 13.8960 13.8960 k = 0.0619 0.1055-0.0000 ( 2465 PWs) bands (ev): -10.0163 -10.0163 -5.6049 -5.6049 -5.2626 -5.2626 -3.0171 -3.0171 -0.4464 -0.4464 2.4340 2.4340 4.0599 4.0599 6.4852 6.4852 6.7128 6.7128 8.2106 8.2106 8.9818 8.9818 9.8004 9.8004 10.0314 10.0314 11.0130 11.0130 11.8616 11.8616 11.8687 11.8687 12.1420 12.1420 13.9412 13.9412 k = 0.0707 0.1206-0.0000 ( 2463 PWs) bands (ev): -10.0110 -10.0110 -5.6232 -5.6232 -5.2766 -5.2766 -3.0067 -3.0067 -0.4149 -0.4149 2.4622 2.4622 4.1005 4.1005 6.4887 6.4887 6.6734 6.6734 8.1540 8.1540 8.8754 8.8754 9.7912 9.7912 10.0250 10.0250 11.0725 11.0725 11.8681 11.8681 11.8739 11.8739 12.0557 12.0557 13.9907 13.9907 k = 0.0796 0.1357-0.0000 ( 2461 PWs) bands (ev): -10.0050 -10.0050 -5.6433 -5.6433 -5.2924 -5.2924 -2.9947 -2.9947 -0.3799 -0.3799 2.4935 2.4935 4.1456 4.1456 6.4926 6.4926 6.6296 6.6296 8.0935 8.0935 8.7622 8.7622 9.7811 9.7811 10.0178 10.0178 11.1362 11.1362 11.8749 11.8749 11.8797 11.8797 11.9633 11.9633 14.0438 14.0438 k = 0.0884 0.1508-0.0000 ( 2463 PWs) bands (ev): -9.9985 -9.9985 -5.6650 -5.6650 -5.3099 -5.3099 -2.9810 -2.9810 -0.3415 -0.3415 2.5277 2.5277 4.1947 4.1947 6.4964 6.4964 6.5817 6.5817 8.0297 8.0297 8.6440 8.6440 9.7700 9.7700 10.0098 10.0098 11.2031 11.2031 11.8583 11.8583 11.8852 11.8852 11.8910 11.8910 14.0998 14.0998 k = 0.0973 0.1658-0.0000 ( 2463 PWs) bands (ev): -9.9914 -9.9914 -5.6880 -5.6880 -5.3290 -5.3290 -2.9656 -2.9656 -0.3000 -0.3000 2.5646 2.5646 4.2475 4.2475 6.4974 6.4974 6.5326 6.5326 7.9637 7.9637 8.5225 8.5225 9.7582 9.7582 10.0010 10.0010 11.2710 11.2710 11.7617 11.7617 11.8925 11.8925 11.8958 11.8958 14.1577 14.1577 k = 0.1061 0.1809-0.0000 ( 2463 PWs) bands (ev): -9.9838 -9.9838 -5.7122 -5.7122 -5.3497 -5.3497 -2.9484 -2.9484 -0.2556 -0.2556 2.6037 2.6037 4.3033 4.3033 6.4653 6.4653 6.5129 6.5129 7.8963 7.8963 8.3992 8.3992 9.7457 9.7457 9.9913 9.9913 11.3353 11.3353 11.6640 11.6640 11.9010 11.9010 11.9044 11.9044 14.2168 14.2168 k = 0.1149 0.1960-0.0000 ( 2465 PWs) bands (ev): -9.9758 -9.9758 -5.7373 -5.7373 -5.3719 -5.3719 -2.9293 -2.9293 -0.2085 -0.2085 2.6446 2.6446 4.3616 4.3616 6.4067 6.4067 6.5162 6.5162 7.8282 7.8282 8.2757 8.2757 9.7326 9.7326 9.9808 9.9808 11.3777 11.3777 11.5874 11.5874 11.9101 11.9101 11.9139 11.9139 14.2760 14.2760 k = 0.1238 0.2111-0.0000 ( 2461 PWs) bands (ev): -9.9673 -9.9673 -5.7630 -5.7630 -5.3955 -5.3955 -2.9084 -2.9084 -0.1590 -0.1590 2.6868 2.6868 4.4218 4.4218 6.3429 6.3429 6.5215 6.5215 7.7603 7.7603 8.1534 8.1534 9.7189 9.7189 9.9696 9.9696 11.3483 11.3483 11.5824 11.5824 11.9196 11.9196 11.9243 11.9243 14.3342 14.3342 k = 0.1326 0.2262-0.0000 ( 2461 PWs) bands (ev): -9.9585 -9.9585 -5.7891 -5.7891 -5.4204 -5.4204 -2.8856 -2.8856 -0.1071 -0.1071 2.7298 2.7298 4.4829 4.4829 6.2755 6.2755 6.5275 6.5275 7.6936 7.6936 8.0334 8.0334 9.7049 9.7049 9.9576 9.9576 11.2581 11.2581 11.6387 11.6387 11.9295 11.9295 11.9356 11.9356 14.3902 14.3902 k = 0.1415 0.2412-0.0000 ( 2465 PWs) bands (ev): -9.9493 -9.9493 -5.8155 -5.8155 -5.4466 -5.4466 -2.8608 -2.8608 -0.0532 -0.0532 2.7728 2.7728 4.5442 4.5442 6.2053 6.2053 6.5338 6.5338 7.6288 7.6288 7.9170 7.9170 9.6906 9.6906 9.9449 9.9449 11.1505 11.1505 11.7130 11.7130 11.9395 11.9395 11.9479 11.9479 14.4424 14.4424 k = 0.1503 0.2563-0.0000 ( 2465 PWs) bands (ev): -9.9398 -9.9398 -5.8419 -5.8419 -5.4739 -5.4739 -2.8340 -2.8340 0.0026 0.0026 2.8152 2.8152 4.6045 4.6045 6.1326 6.1326 6.5404 6.5404 7.5671 7.5671 7.8054 7.8054 9.6761 9.6761 9.9315 9.9315 11.0381 11.0381 11.7934 11.7934 11.9496 11.9496 11.9613 11.9613 14.4892 14.4892 k = 0.1591 0.2714-0.0000 ( 2471 PWs) bands (ev): -9.9302 -9.9302 -5.8681 -5.8681 -5.5022 -5.5022 -2.8053 -2.8053 0.0601 0.0601 2.8560 2.8560 4.6627 4.6627 6.0582 6.0582 6.5471 6.5471 7.5096 7.5096 7.6995 7.6995 9.6615 9.6615 9.9174 9.9174 10.9246 10.9246 11.8764 11.8764 11.9598 11.9598 11.9756 11.9756 14.5291 14.5291 k = 0.1680 0.2865-0.0000 ( 2475 PWs) bands (ev): -9.9203 -9.9203 -5.8939 -5.8939 -5.5314 -5.5314 -2.7745 -2.7745 0.1192 0.1192 2.8944 2.8944 4.7176 4.7176 5.9825 5.9825 6.5540 6.5540 7.4573 7.4573 7.6003 7.6003 9.6469 9.6469 9.9027 9.9027 10.8116 10.8116 11.9603 11.9603 11.9706 11.9706 11.9910 11.9910 14.5602 14.5602 k = 0.1768 0.3015-0.0000 ( 2473 PWs) bands (ev): -9.9104 -9.9104 -5.9191 -5.9191 -5.5614 -5.5614 -2.7418 -2.7418 0.1797 0.1797 2.9292 2.9292 4.7676 4.7676 5.9064 5.9064 6.5610 6.5610 7.4115 7.4115 7.5089 7.5089 9.6325 9.6325 9.8874 9.8874 10.7001 10.7001 11.9798 11.9798 12.0073 12.0073 12.0466 12.0466 14.5810 14.5810 k = 0.1857 0.3166-0.0000 ( 2469 PWs) bands (ev): -9.9004 -9.9004 -5.9435 -5.9435 -5.5921 -5.5921 -2.7071 -2.7071 0.2415 0.2415 2.9593 2.9593 4.8113 4.8113 5.8305 5.8305 6.5681 6.5681 7.3733 7.3733 7.4263 7.4263 9.6182 9.6182 9.8716 9.8716 10.5910 10.5910 11.9897 11.9897 12.0246 12.0246 12.1324 12.1324 14.5898 14.5898 k = 0.1945 0.3317-0.0000 ( 2473 PWs) bands (ev): -9.8905 -9.8905 -5.9670 -5.9670 -5.6234 -5.6234 -2.6705 -2.6705 0.3045 0.3045 2.9837 2.9837 4.8472 4.8472 5.7554 5.7554 6.5752 6.5752 7.3402 7.3402 7.3570 7.3570 9.6042 9.6042 9.8553 9.8553 10.4849 10.4849 11.9994 11.9994 12.0429 12.0429 12.2183 12.2183 14.5858 14.5858 k = 0.2033 0.3468-0.0000 ( 2473 PWs) bands (ev): -9.8805 -9.8805 -5.9895 -5.9895 -5.6551 -5.6551 -2.6320 -2.6320 0.3686 0.3686 3.0011 3.0011 4.8738 4.8738 5.6819 5.6819 6.5822 6.5822 7.2862 7.2862 7.3292 7.3292 9.5906 9.5906 9.8385 9.8385 10.3824 10.3824 12.0088 12.0088 12.0620 12.0620 12.3042 12.3042 14.5684 14.5684 k = 0.2122 0.3619-0.0000 ( 2477 PWs) bands (ev): -9.8707 -9.8707 -6.0107 -6.0107 -5.6872 -5.6872 -2.5916 -2.5916 0.4337 0.4337 3.0106 3.0106 4.8899 4.8899 5.6104 5.6104 6.5892 6.5892 7.2344 7.2344 7.3214 7.3214 9.5775 9.5775 9.8213 9.8213 10.2842 10.2842 12.0178 12.0178 12.0821 12.0821 12.3899 12.3899 14.5374 14.5374 k = 0.2210 0.3769-0.0000 ( 2473 PWs) bands (ev): -9.8611 -9.8611 -6.0306 -6.0306 -5.7194 -5.7194 -2.5494 -2.5494 0.4996 0.4996 3.0112 3.0112 4.8947 4.8947 5.5413 5.5413 6.5961 6.5961 7.1940 7.1940 7.3257 7.3257 9.5649 9.5649 9.8038 9.8038 10.1910 10.1910 12.0265 12.0265 12.1029 12.1029 12.4751 12.4751 14.4934 14.4934 k = 0.2299 0.3920-0.0000 ( 2469 PWs) bands (ev): -9.8517 -9.8517 -6.0492 -6.0492 -5.7518 -5.7518 -2.5054 -2.5054 0.5664 0.5664 3.0024 3.0024 4.8877 4.8877 5.4746 5.4746 6.6029 6.6029 7.1661 7.1661 7.3418 7.3418 9.5528 9.5528 9.7859 9.7859 10.1033 10.1033 12.0348 12.0348 12.1246 12.1246 12.5597 12.5597 14.4374 14.4374 k = 0.2387 0.4071-0.0000 ( 2469 PWs) bands (ev): -9.8426 -9.8426 -6.0662 -6.0662 -5.7842 -5.7842 -2.4598 -2.4598 0.6339 0.6339 2.9837 2.9837 4.8688 4.8688 5.4103 5.4103 6.6095 6.6095 7.1514 7.1514 7.3690 7.3690 9.5414 9.5414 9.7677 9.7677 10.0220 10.0220 12.0425 12.0425 12.1469 12.1469 12.6436 12.6436 14.3706 14.3706 k = 0.2476 0.4222-0.0000 ( 2471 PWs) bands (ev): -9.8337 -9.8337 -6.0816 -6.0816 -5.8164 -5.8164 -2.4126 -2.4126 0.7021 0.7021 2.9552 2.9552 4.8385 4.8385 5.3479 5.3479 6.6160 6.6160 7.1504 7.1504 7.4062 7.4062 9.5307 9.5307 9.7491 9.7491 9.9479 9.9479 12.0497 12.0497 12.1699 12.1699 12.7267 12.7267 14.2945 14.2945 k = 0.2564 0.4372-0.0000 ( 2467 PWs) bands (ev): -9.8253 -9.8253 -6.0954 -6.0954 -5.8484 -5.8484 -2.3638 -2.3638 0.7709 0.7709 2.9172 2.9172 4.7976 4.7976 5.2870 5.2870 6.6223 6.6223 7.1635 7.1635 7.4518 7.4518 9.5208 9.5208 9.7302 9.7302 9.8820 9.8820 12.0562 12.0562 12.1935 12.1935 12.8088 12.8088 14.2108 14.2108 k = 0.2652 0.4523-0.0000 ( 2459 PWs) bands (ev): -9.8172 -9.8172 -6.1076 -6.1076 -5.8801 -5.8801 -2.3137 -2.3137 0.8402 0.8402 2.8704 2.8704 4.7472 4.7472 5.2270 5.2270 6.6283 6.6283 7.1906 7.1906 7.5038 7.5038 9.5116 9.5116 9.7106 9.7106 9.8255 9.8255 12.0621 12.0621 12.2176 12.2176 12.8898 12.8898 14.1209 14.1209 k = 0.2741 0.4674-0.0000 ( 2459 PWs) bands (ev): -9.8095 -9.8095 -6.1181 -6.1181 -5.9114 -5.9114 -2.2622 -2.2622 0.9099 0.9099 2.8155 2.8155 4.6884 4.6884 5.1674 5.1674 6.6341 6.6341 7.2317 7.2317 7.5600 7.5600 9.5032 9.5032 9.6905 9.6905 9.7795 9.7795 12.0673 12.0673 12.2421 12.2421 12.9696 12.9696 14.0263 14.0263 k = 0.2829 0.4825-0.0000 ( 2459 PWs) bands (ev): -9.8023 -9.8023 -6.1269 -6.1269 -5.9422 -5.9422 -2.2095 -2.2095 0.9801 0.9801 2.7538 2.7538 4.6224 4.6224 5.1075 5.1075 6.6396 6.6396 7.2861 7.2861 7.6180 7.6180 9.4955 9.4955 9.6703 9.6703 9.7449 9.7449 12.0718 12.0718 12.2669 12.2669 13.0481 13.0481 13.9284 13.9284 k = 0.2918 0.4975-0.0000 ( 2451 PWs) bands (ev): -9.7955 -9.7955 -6.1340 -6.1340 -5.9724 -5.9724 -2.1558 -2.1558 1.0505 1.0505 2.6862 2.6862 4.5504 4.5504 5.0471 5.0471 6.6448 6.6448 7.3532 7.3532 7.6755 7.6755 9.4887 9.4887 9.6513 9.6513 9.7215 9.7215 12.0754 12.0754 12.2920 12.2920 13.1251 13.1251 13.8284 13.8284 k = 0.3006 0.5126-0.0000 ( 2447 PWs) bands (ev): -9.7892 -9.7892 -6.1396 -6.1396 -6.0019 -6.0019 -2.1011 -2.1011 1.1210 1.1210 2.6141 2.6141 4.4736 4.4736 4.9859 4.9859 6.6498 6.6498 7.4321 7.4321 7.7300 7.7300 9.4828 9.4828 9.6347 9.6347 9.7093 9.7093 12.0783 12.0783 12.3172 12.3172 13.2007 13.2007 13.7271 13.7271 k = 0.3094 0.5277-0.0000 ( 2447 PWs) bands (ev): -9.7834 -9.7834 -6.1435 -6.1435 -6.0306 -6.0306 -2.0457 -2.0457 1.1916 1.1916 2.5386 2.5386 4.3928 4.3928 4.9237 4.9237 6.6544 6.6544 7.5217 7.5217 7.7795 7.7795 9.4776 9.4776 9.6201 9.6201 9.7099 9.7099 12.0802 12.0802 12.3425 12.3425 13.2745 13.2745 13.6256 13.6256 k = 0.3183 0.5428-0.0000 ( 2449 PWs) bands (ev): -9.7781 -9.7781 -6.1460 -6.1460 -6.0586 -6.0586 -1.9897 -1.9897 1.2620 1.2620 2.4610 2.4610 4.3092 4.3092 4.8605 4.8605 6.6586 6.6586 7.6210 7.6210 7.8224 7.8224 9.4731 9.4731 9.6061 9.6061 9.7254 9.7254 12.0813 12.0813 12.3677 12.3677 13.3465 13.3465 13.5247 13.5247 k = 0.3271 0.5579-0.0000 ( 2449 PWs) bands (ev): -9.7732 -9.7732 -6.1470 -6.1470 -6.0856 -6.0856 -1.9333 -1.9333 1.3320 1.3320 2.3823 2.3823 4.2235 4.2235 4.7962 4.7962 6.6626 6.6626 7.7286 7.7286 7.8578 7.8578 9.4694 9.4694 9.5920 9.5920 9.7566 9.7566 12.0814 12.0814 12.3927 12.3927 13.4145 13.4145 13.4270 13.4270 k = 0.3360 0.5729-0.0000 ( 2445 PWs) bands (ev): -9.7688 -9.7688 -6.1467 -6.1467 -6.1116 -6.1116 -1.8767 -1.8767 1.4013 1.4013 2.3038 2.3038 4.1366 4.1366 4.7311 4.7311 6.6662 6.6662 7.8415 7.8415 7.8870 7.8870 9.4664 9.4664 9.5778 9.5778 9.8031 9.8031 12.0805 12.0805 12.4175 12.4175 13.3262 13.3262 13.4852 13.4852 k = 0.3360 0.5729-0.0000 ( 2445 PWs) bands (ev): -9.7688 -9.7688 -6.1467 -6.1467 -6.1116 -6.1116 -1.8767 -1.8767 1.4013 1.4013 2.3038 2.3038 4.1366 4.1366 4.7311 4.7311 6.6662 6.6662 7.8415 7.8415 7.8870 7.8870 9.4664 9.4664 9.5778 9.5778 9.8031 9.8031 12.0805 12.0805 12.4175 12.4175 13.3262 13.3262 13.4852 13.4852 k = 0.3192 0.5729-0.0000 ( 2451 PWs) bands (ev): -9.7712 -9.7712 -6.1569 -6.1569 -6.0877 -6.0877 -1.9078 -1.9078 1.3728 1.3728 2.3424 2.3424 4.1548 4.1548 4.7834 4.7834 6.6643 6.6643 7.7820 7.7820 7.8816 7.8816 9.4660 9.4660 9.5873 9.5873 9.7777 9.7777 12.0809 12.0809 12.4045 12.4045 13.3646 13.3646 13.4569 13.4569 k = 0.3024 0.5729-0.0000 ( 2451 PWs) bands (ev): -9.7740 -9.7740 -6.1729 -6.1729 -6.0544 -6.0544 -1.9455 -1.9455 1.3543 1.3543 2.3819 2.3819 4.1320 4.1320 4.8683 4.8683 6.6620 6.6620 7.7218 7.7218 7.8860 7.8860 9.4628 9.4628 9.6012 9.6012 9.7537 9.7537 12.0809 12.0809 12.3896 12.3896 13.3369 13.3369 13.4855 13.4855 k = 0.2856 0.5729-0.0000 ( 2455 PWs) bands (ev): -9.7773 -9.7773 -6.1893 -6.1893 -6.0175 -6.0175 -1.9896 -1.9896 1.3456 1.3456 2.4221 2.4221 4.0830 4.0830 4.9697 4.9697 6.6594 6.6594 7.6653 7.6653 7.8977 7.8977 9.4577 9.4577 9.6179 9.6179 9.7313 9.7313 12.0803 12.0803 12.3730 12.3730 13.2586 13.2586 13.5562 13.5562 k = 0.2688 0.5729-0.0000 ( 2461 PWs) bands (ev): -9.7810 -9.7810 -6.2052 -6.2052 -5.9781 -5.9781 -2.0392 -2.0392 1.3463 1.3463 2.4628 2.4628 4.0188 4.0188 5.0751 5.0751 6.6565 6.6565 7.6140 7.6140 7.9174 7.9174 9.4516 9.4516 9.6351 9.6351 9.7117 9.7117 12.0789 12.0789 12.3547 12.3547 13.1580 13.1580 13.6411 13.6411 k = 0.2520 0.5729-0.0000 ( 2464 PWs) bands (ev): -9.7849 -9.7849 -6.2205 -6.2205 -5.9367 -5.9367 -2.0935 -2.0935 1.3558 1.3558 2.5036 2.5036 3.9458 3.9458 5.1767 5.1767 6.6535 6.6535 7.5687 7.5687 7.9466 7.9466 9.4448 9.4448 9.6467 9.6467 9.7002 9.7002 12.0766 12.0766 12.3351 12.3351 13.0408 13.0408 13.7358 13.7358 k = 0.2352 0.5729-0.0000 ( 2464 PWs) bands (ev): -9.7891 -9.7891 -6.2350 -6.2350 -5.8937 -5.8937 -2.1516 -2.1516 1.3735 1.3735 2.5443 2.5443 3.8675 3.8675 5.2696 5.2696 6.6503 6.6503 7.5298 7.5298 7.9866 7.9866 9.4379 9.4379 9.6423 9.6423 9.7066 9.7066 12.0731 12.0731 12.3144 12.3144 12.9098 12.9098 13.8386 13.8386 k = 0.2184 0.5729-0.0000 ( 2465 PWs) bands (ev): -9.7934 -9.7934 -6.2486 -6.2486 -5.8497 -5.8497 -2.2126 -2.2126 1.3985 1.3985 2.5846 2.5846 3.7861 3.7861 5.3508 5.3508 6.6470 6.6470 7.4974 7.4974 8.0390 8.0390 9.4310 9.4310 9.6269 9.6269 9.7257 9.7257 12.0676 12.0676 12.2929 12.2929 12.7677 12.7677 13.9486 13.9486 k = 0.2016 0.5729-0.0000 ( 2465 PWs) bands (ev): -9.7977 -9.7977 -6.2614 -6.2614 -5.8050 -5.8050 -2.2753 -2.2753 1.4302 1.4302 2.6241 2.6241 3.7030 3.7030 5.4185 5.4185 6.6437 6.6437 7.4712 7.4712 8.1049 8.1049 9.4243 9.4243 9.6091 9.6091 9.7487 9.7487 12.0587 12.0587 12.2708 12.2708 12.6177 12.6177 14.0646 14.0646 k = 0.1848 0.5729-0.0000 ( 2461 PWs) bands (ev): -9.8020 -9.8020 -6.2732 -6.2732 -5.7603 -5.7603 -2.3388 -2.3388 1.4675 1.4675 2.6624 2.6624 3.6193 3.6193 5.4722 5.4722 6.6404 6.6404 7.4505 7.4505 8.1851 8.1851 9.4180 9.4180 9.5916 9.5916 9.7728 9.7728 12.0430 12.0430 12.2485 12.2485 12.4653 12.4653 14.1856 14.1856 k = 0.1680 0.5729-0.0000 ( 2465 PWs) bands (ev): -9.8061 -9.8061 -6.2841 -6.2841 -5.7159 -5.7159 -2.4019 -2.4019 1.5095 1.5095 2.6991 2.6991 3.5360 3.5360 5.5121 5.5121 6.6373 6.6373 7.4344 7.4344 8.2792 8.2792 9.4120 9.4120 9.5755 9.5755 9.7969 9.7969 12.0103 12.0103 12.2263 12.2263 12.3225 12.3225 14.3105 14.3105 k = 0.1512 0.5729-0.0000 ( 2465 PWs) bands (ev): -9.8101 -9.8101 -6.2940 -6.2940 -5.6727 -5.6727 -2.4635 -2.4635 1.5553 1.5553 2.7337 2.7337 3.4540 3.4540 5.5398 5.5398 6.6343 6.6343 7.4221 7.4221 8.3861 8.3861 9.4065 9.4065 9.5618 9.5618 9.8205 9.8205 11.9369 11.9369 12.2039 12.2039 12.2154 12.2154 14.4380 14.4380 k = 0.1344 0.5729-0.0000 ( 2467 PWs) bands (ev): -9.8139 -9.8139 -6.3029 -6.3029 -5.6311 -5.6311 -2.5226 -2.5226 1.6037 1.6037 2.7657 2.7657 3.3744 3.3744 5.5570 5.5570 6.6315 6.6315 7.4127 7.4127 8.5039 8.5039 9.4016 9.4016 9.5514 9.5514 9.8430 9.8430 11.8081 11.8081 12.1578 12.1578 12.1844 12.1844 14.5666 14.5666 k = 0.1176 0.5729-0.0000 ( 2469 PWs) bands (ev): -9.8173 -9.8173 -6.3108 -6.3108 -5.5920 -5.5920 -2.5780 -2.5780 1.6536 1.6536 2.7945 2.7945 3.2984 3.2984 5.5658 5.5658 6.6289 6.6289 7.4054 7.4054 8.6292 8.6292 9.3972 9.3972 9.5457 9.5457 9.8639 9.8639 11.6464 11.6464 12.1326 12.1326 12.1649 12.1649 14.6947 14.6947 k = 0.1008 0.5729-0.0000 ( 2471 PWs) bands (ev): -9.8204 -9.8204 -6.3177 -6.3177 -5.5560 -5.5560 -2.6288 -2.6288 1.7035 1.7035 2.8192 2.8192 3.2274 3.2274 5.5685 5.5685 6.6266 6.6266 7.3999 7.3999 8.7576 8.7576 9.3934 9.3934 9.5468 9.5468 9.8830 9.8830 11.4725 11.4725 12.1197 12.1197 12.1471 12.1471 14.8204 14.8204 k = 0.0840 0.5729-0.0000 ( 2471 PWs) bands (ev): -9.8231 -9.8231 -6.3235 -6.3235 -5.5239 -5.5239 -2.6738 -2.6738 1.7518 1.7518 2.8390 2.8390 3.1636 3.1636 5.5671 5.5671 6.6246 6.6246 7.3956 7.3956 8.8827 8.8827 9.3904 9.3904 9.5578 9.5578 9.8999 9.8999 11.2964 11.2964 12.1121 12.1121 12.1314 12.1314 14.9415 14.9415 k = 0.0672 0.5729-0.0000 ( 2469 PWs) bands (ev): -9.8253 -9.8253 -6.3283 -6.3283 -5.4964 -5.4964 -2.7122 -2.7122 1.7966 1.7966 2.8527 2.8527 3.1095 3.1095 5.5635 5.5635 6.6229 6.6229 7.3924 7.3924 8.9956 8.9956 9.3880 9.3880 9.5831 9.5831 9.9141 9.9141 11.1245 11.1245 12.1072 12.1072 12.1180 12.1180 15.0548 15.0548 k = 0.0504 0.5729-0.0000 ( 2468 PWs) bands (ev): -9.8271 -9.8271 -6.3320 -6.3320 -5.4741 -5.4741 -2.7431 -2.7431 1.8355 1.8355 2.8594 2.8594 3.0678 3.0678 5.5590 5.5590 6.6215 6.6215 7.3901 7.3901 9.0865 9.0865 9.3863 9.3863 9.6263 9.6263 9.9255 9.9255 10.9641 10.9641 12.1040 12.1040 12.1072 12.1072 15.1564 15.1564 k = 0.0336 0.5729-0.0000 ( 2471 PWs) bands (ev): -9.8284 -9.8284 -6.3347 -6.3347 -5.4578 -5.4578 -2.7657 -2.7657 1.8660 1.8660 2.8596 2.8596 3.0402 3.0402 5.5550 5.5550 6.6206 6.6206 7.3885 7.3885 9.1486 9.1486 9.3852 9.3852 9.6836 9.6836 9.9337 9.9337 10.8258 10.8258 12.0993 12.0993 12.1020 12.1020 15.2405 15.2405 k = 0.0168 0.5729-0.0000 ( 2470 PWs) bands (ev): -9.8292 -9.8292 -6.3363 -6.3363 -5.4478 -5.4478 -2.7795 -2.7795 1.8856 1.8856 2.8566 2.8566 3.0256 3.0256 5.5523 5.5523 6.6200 6.6200 7.3875 7.3875 9.1827 9.1827 9.3845 9.3845 9.7370 9.7370 9.9386 9.9386 10.7270 10.7270 12.0946 12.0946 12.1008 12.1008 15.2984 15.2984 k = 0.0000 0.5729-0.0000 ( 2474 PWs) bands (ev): -9.8294 -9.8294 -6.3369 -6.3369 -5.4444 -5.4444 -2.7842 -2.7842 1.8924 1.8924 2.8549 2.8549 3.0212 3.0212 5.5513 5.5513 6.6198 6.6198 7.3872 7.3872 9.1933 9.1933 9.3843 9.3843 9.7596 9.7596 9.9402 9.9402 10.6901 10.6901 12.0929 12.0929 12.1004 12.1004 15.3195 15.3195 k = 0.0000 0.5729-0.0000 ( 2474 PWs) bands (ev): -9.8294 -9.8294 -6.3369 -6.3369 -5.4444 -5.4444 -2.7842 -2.7842 1.8924 1.8924 2.8549 2.8549 3.0212 3.0212 5.5513 5.5513 6.6198 6.6198 7.3872 7.3872 9.1933 9.1933 9.3843 9.3843 9.7596 9.7596 9.9402 9.9402 10.6901 10.6901 12.0929 12.0929 12.1004 12.1004 15.3195 15.3195 k = 0.0000 0.5729 0.0176 ( 2472 PWs) bands (ev): -9.8282 -9.8282 -6.3357 -6.3357 -5.4433 -5.4433 -2.7831 -2.7831 1.8934 1.8934 2.8558 2.8558 3.0222 3.0222 5.5523 5.5523 6.6050 6.6050 7.3879 7.3879 9.1941 9.1941 9.3713 9.3713 9.7589 9.7589 9.9333 9.9333 10.6911 10.6911 12.0823 12.0823 12.1197 12.1197 15.3205 15.3205 k = 0.0000 0.5729 0.0351 ( 2472 PWs) bands (ev): -9.8247 -9.8247 -6.3324 -6.3324 -5.4399 -5.4399 -2.7797 -2.7797 1.8965 1.8965 2.8586 2.8586 3.0251 3.0251 5.5551 5.5551 6.5614 6.5614 7.3902 7.3902 9.1963 9.1963 9.3335 9.3335 9.7533 9.7533 9.9153 9.9153 10.6941 10.6941 12.0593 12.0593 12.1684 12.1684 15.3234 15.3234 k = 0.0000 0.5729 0.0527 ( 2470 PWs) bands (ev): -9.8187 -9.8187 -6.3268 -6.3268 -5.4343 -5.4343 -2.7741 -2.7741 1.9016 1.9016 2.8632 2.8632 3.0300 3.0300 5.5597 5.5597 6.4904 6.4904 7.3939 7.3939 9.1990 9.1990 9.2741 9.2741 9.7333 9.7333 9.8950 9.8950 10.6987 10.6987 12.0228 12.0228 12.2468 12.2468 15.3283 15.3283 k = 0.0000 0.5729 0.0702 ( 2466 PWs) bands (ev): -9.8104 -9.8104 -6.3189 -6.3189 -5.4264 -5.4264 -2.7664 -2.7664 1.9088 1.9088 2.8697 2.8697 3.0368 3.0368 5.5663 5.5663 6.3944 6.3944 7.3990 7.3990 9.1807 9.1807 9.2174 9.2174 9.6872 9.6872 9.8837 9.8837 10.7042 10.7042 11.9731 11.9731 12.3534 12.3534 15.3352 15.3352 k = 0.0000 0.5729 0.0878 ( 2468 PWs) bands (ev): -9.7997 -9.7997 -6.3088 -6.3088 -5.4162 -5.4162 -2.7564 -2.7564 1.9179 1.9179 2.8780 2.8780 3.0455 3.0455 5.5746 5.5746 6.2762 6.2762 7.4054 7.4054 9.0890 9.0890 9.2179 9.2179 9.6132 9.6132 9.8839 9.8839 10.7100 10.7100 11.9110 11.9110 12.4858 12.4858 15.3440 15.3440 k = 0.0000 0.5729 0.1054 ( 2460 PWs) bands (ev): -9.7866 -9.7866 -6.2965 -6.2965 -5.4039 -5.4039 -2.7442 -2.7442 1.9291 1.9291 2.8882 2.8882 3.0561 3.0561 5.5848 5.5848 6.1389 6.1389 7.4129 7.4129 8.9759 8.9759 9.2257 9.2257 9.5168 9.5168 9.8914 9.8914 10.7155 10.7155 11.8379 11.8379 12.6413 12.6413 15.3550 15.3550 k = 0.0000 0.5729 0.1229 ( 2462 PWs) bands (ev): -9.7712 -9.7712 -6.2820 -6.2820 -5.3893 -5.3893 -2.7298 -2.7298 1.9423 1.9423 2.9001 2.9001 3.0686 3.0686 5.5968 5.5968 5.9853 5.9853 7.4214 7.4214 8.8489 8.8489 9.2348 9.2348 9.4037 9.4037 9.9030 9.9030 10.7197 10.7197 11.7556 11.7556 12.8169 12.8169 15.3680 15.3680 k = 0.0000 0.5729 0.1405 ( 2462 PWs) bands (ev): -9.7534 -9.7534 -6.2653 -6.2653 -5.3724 -5.3724 -2.7132 -2.7132 1.9575 1.9575 2.9138 2.9138 3.0830 3.0830 5.6103 5.6103 5.8182 5.8182 7.4305 7.4305 8.7101 8.7101 9.2367 9.2367 9.2851 9.2851 9.9172 9.9172 10.7216 10.7216 11.6662 11.6662 13.0097 13.0097 15.3832 15.3832 k = 0.0000 0.5729 0.1580 ( 2464 PWs) bands (ev): -9.7333 -9.7333 -6.2463 -6.2463 -5.3534 -5.3534 -2.6944 -2.6944 1.9747 1.9747 2.9293 2.9293 3.0993 3.0993 5.6186 5.6186 5.6470 5.6470 7.4396 7.4396 8.5618 8.5618 9.1295 9.1295 9.2653 9.2653 9.9332 9.9332 10.7195 10.7195 11.5724 11.5724 13.2171 13.2171 15.4009 15.4009 k = 0.0000 0.5729 0.1756 ( 2464 PWs) bands (ev): -9.7109 -9.7109 -6.2252 -6.2252 -5.3322 -5.3322 -2.6735 -2.6735 1.9939 1.9939 2.9466 2.9466 3.1174 3.1174 5.4503 5.4503 5.6450 5.6450 7.4478 7.4478 8.4061 8.4061 8.9824 8.9824 9.2772 9.2772 9.9508 9.9508 10.7109 10.7109 11.4780 11.4780 13.4363 13.4363 15.4212 15.4212 k = 0.0000 0.5729 0.1932 ( 2460 PWs) bands (ev): -9.6862 -9.6862 -6.2019 -6.2019 -5.3088 -5.3088 -2.6504 -2.6504 2.0150 2.0150 2.9656 2.9656 3.1374 3.1374 5.2557 5.2557 5.6638 5.6638 7.4534 7.4534 8.2455 8.2455 8.8269 8.8269 9.2909 9.2909 9.9700 9.9700 10.6923 10.6923 11.3880 11.3880 13.6644 13.6644 15.4445 15.4445 k = 0.0000 0.5729 0.2107 ( 2462 PWs) bands (ev): -9.6592 -9.6592 -6.1765 -6.1765 -5.2832 -5.2832 -2.6252 -2.6252 2.0380 2.0380 2.9863 2.9863 3.1592 3.1592 5.0550 5.0550 5.6845 5.6845 7.4534 7.4534 8.0836 8.0836 8.6663 8.6663 9.3050 9.3050 9.9906 9.9906 10.6589 10.6589 11.3083 11.3083 13.8986 13.8986 15.4718 15.4718 k = 0.0000 0.5729 0.2283 ( 2466 PWs) bands (ev): -9.6299 -9.6299 -6.1490 -6.1490 -5.2555 -5.2555 -2.5980 -2.5980 2.0629 2.0629 3.0087 3.0087 3.1827 3.1827 4.8497 4.8497 5.7069 5.7069 7.4410 7.4410 7.9266 7.9266 8.5035 8.5035 9.3187 9.3187 10.0125 10.0125 10.6063 10.6063 11.2450 11.2450 14.1350 14.1350 15.5041 15.5041 k = 0.0000 0.5729 0.2459 ( 2470 PWs) bands (ev): -9.5984 -9.5984 -6.1193 -6.1193 -5.2257 -5.2257 -2.5686 -2.5686 2.0896 2.0896 3.0327 3.0327 3.2080 3.2080 4.6409 4.6409 5.7310 5.7310 7.4023 7.4023 7.7864 7.7864 8.3427 8.3427 9.3311 9.3311 10.0359 10.0359 10.5329 10.5329 11.2015 11.2015 14.3683 14.3683 15.5435 15.5435 k = 0.0000 0.5729 0.2634 ( 2474 PWs) bands (ev): -9.5646 -9.5646 -6.0876 -6.0876 -5.1937 -5.1937 -2.5372 -2.5372 2.1182 2.1182 3.0584 3.0584 3.2350 3.2350 4.4296 4.4296 5.7566 5.7566 7.3178 7.3178 7.6775 7.6775 8.1909 8.1909 9.3406 9.3406 10.0607 10.0607 10.4417 10.4417 11.1769 11.1769 14.5901 14.5901 15.5934 15.5934 k = 0.0000 0.5729 0.2810 ( 2466 PWs) bands (ev): -9.5287 -9.5287 -6.0539 -6.0539 -5.1597 -5.1597 -2.5037 -2.5037 2.1486 2.1486 3.0855 3.0855 3.2636 3.2636 4.2165 4.2165 5.7836 5.7836 7.1845 7.1845 7.5921 7.5921 8.0605 8.0605 9.3451 9.3451 10.0867 10.0867 10.3392 10.3392 11.1677 11.1677 14.7868 14.7868 15.6567 15.6567 k = 0.0000 0.5729 0.2985 ( 2466 PWs) bands (ev): -9.4906 -9.4906 -6.0181 -6.0181 -5.1237 -5.1237 -2.4683 -2.4683 2.1807 2.1807 3.1142 3.1142 3.2938 3.2938 4.0024 4.0024 5.8119 5.8119 7.0215 7.0215 7.4957 7.4957 7.9683 7.9683 9.3411 9.3411 10.1138 10.1138 10.2337 10.2337 11.1699 11.1699 14.9396 14.9396 15.7241 15.7241 k = 0.0000 0.5729 0.3161 ( 2462 PWs) bands (ev): -9.4504 -9.4504 -5.9803 -5.9803 -5.0856 -5.0856 -2.4310 -2.4310 2.2146 2.2146 3.1443 3.1443 3.3256 3.3256 3.7878 3.7878 5.8412 5.8412 6.8443 6.8443 7.3677 7.3677 7.9209 7.9209 9.3237 9.3237 10.1266 10.1266 10.1493 10.1493 11.1802 11.1802 15.0299 15.0299 15.7503 15.7503 k = 0.0000 0.5729 0.3337 ( 2464 PWs) bands (ev): -9.4081 -9.4081 -5.9406 -5.9406 -5.0456 -5.0456 -2.3917 -2.3917 2.2502 2.2502 3.1758 3.1758 3.3584 3.3584 3.5736 3.5736 5.8709 5.8709 6.6610 6.6610 7.2128 7.2128 7.9073 7.9073 9.2864 9.2864 10.0458 10.0458 10.1743 10.1743 11.1965 11.1965 15.0493 15.0493 15.7264 15.7264 k = 0.0000 0.5729 0.3512 ( 2462 PWs) bands (ev): -9.3638 -9.3638 -5.8990 -5.8990 -5.0036 -5.0036 -2.3505 -2.3505 2.2873 2.2873 3.2082 3.2082 3.3527 3.3527 3.4002 3.4002 5.8998 5.8998 6.4762 6.4762 7.0419 7.0419 7.9137 7.9137 9.2235 9.2235 9.9824 9.9824 10.2053 10.2053 11.2173 11.2173 15.0029 15.0029 15.7039 15.7039 k = 0.0000 0.5729 0.3688 ( 2462 PWs) bands (ev): -9.3174 -9.3174 -5.8555 -5.8555 -4.9598 -4.9598 -2.3075 -2.3075 2.3261 2.3261 3.1422 3.1422 3.2440 3.2440 3.4317 3.4317 5.9237 5.9237 6.2959 6.2959 6.8626 6.8626 7.9318 7.9318 9.1333 9.1333 9.9439 9.9439 10.2377 10.2377 11.2416 11.2416 14.9071 14.9071 15.7010 15.7010 k = 0.0000 0.5729 0.3863 ( 2462 PWs) bands (ev): -9.2691 -9.2691 -5.8102 -5.8102 -4.9141 -4.9141 -2.2628 -2.2628 2.3663 2.3663 2.9305 2.9305 3.2786 3.2786 3.4691 3.4691 5.9227 5.9227 6.1412 6.1412 6.6789 6.6789 7.9572 7.9572 9.0195 9.0195 9.9281 9.9281 10.2714 10.2714 11.2687 11.2687 14.7807 14.7807 15.7137 15.7137 k = 0.0000 0.5729 0.4039 ( 2458 PWs) bands (ev): -9.2189 -9.2189 -5.7631 -5.7631 -4.8666 -4.8666 -2.2163 -2.2163 2.4080 2.4080 2.7195 2.7195 3.3149 3.3149 3.5080 3.5080 5.8299 5.8299 6.0796 6.0796 6.4930 6.4930 7.9876 7.9876 8.8878 8.8878 9.9297 9.9297 10.3061 10.3061 11.2982 11.2982 14.6367 14.6367 15.7359 15.7359 k = 0.0000 0.5729 0.4215 ( 2458 PWs) bands (ev): -9.1668 -9.1668 -5.7144 -5.7144 -4.8173 -4.8173 -2.1681 -2.1681 2.4510 2.4510 2.5100 2.5100 3.3521 3.3521 3.5482 3.5482 5.6642 5.6642 6.0923 6.0923 6.3066 6.3066 8.0216 8.0216 8.7441 8.7441 9.9439 9.9439 10.3419 10.3419 11.3296 11.3296 14.4831 14.4831 15.7637 15.7637 k = 0.0000 0.5729 0.4390 ( 2462 PWs) bands (ev): -9.1129 -9.1129 -5.6640 -5.6640 -4.7664 -4.7664 -2.1184 -2.1184 2.3020 2.3020 2.4956 2.4956 3.3901 3.3901 3.5896 3.5896 5.4826 5.4826 6.1056 6.1056 6.1378 6.1378 8.0584 8.0584 8.5924 8.5924 9.9668 9.9668 10.3787 10.3787 11.3626 11.3626 14.3242 14.3242 15.7947 15.7947 k = 0.0000 0.5729 0.4566 ( 2462 PWs) bands (ev): -9.0574 -9.0574 -5.6120 -5.6120 -4.7139 -4.7139 -2.0671 -2.0671 2.0964 2.0964 2.5413 2.5413 3.4287 3.4287 3.6322 3.6322 5.2980 5.2980 5.9311 5.9311 6.1633 6.1633 8.0974 8.0974 8.4358 8.4358 9.9960 9.9960 10.4163 10.4163 11.3972 11.3972 14.1625 14.1625 15.8278 15.8278 k = 0.0000 0.5729 0.4741 ( 2460 PWs) bands (ev): -9.0002 -9.0002 -5.5586 -5.5586 -4.6599 -4.6599 -2.0144 -2.0144 1.8930 1.8930 2.5881 2.5881 3.4677 3.4677 3.6757 3.6757 5.1137 5.1137 5.7465 5.7465 6.2028 6.2028 8.1378 8.1378 8.2766 8.2766 10.0299 10.0299 10.4548 10.4548 11.4329 11.4329 13.9997 13.9997 15.7130 15.7130 k = 0.0000 0.5729 0.4917 ( 2460 PWs) bands (ev): -8.9414 -8.9414 -5.5038 -5.5038 -4.6043 -4.6043 -1.9604 -1.9604 1.6921 1.6921 2.6360 2.6360 3.5067 3.5067 3.7201 3.7201 4.9313 4.9313 5.5632 5.5632 6.2444 6.2444 8.1113 8.1113 8.1843 8.1843 10.0672 10.0672 10.4940 10.4940 11.4698 11.4698 13.8370 13.8370 15.5287 15.5287 k = 0.0000 0.5729 0.5093 ( 2466 PWs) bands (ev): -8.8812 -8.8812 -5.4476 -5.4476 -4.5475 -4.5475 -1.9050 -1.9050 1.4940 1.4940 2.6849 2.6849 3.5450 3.5450 3.7653 3.7653 4.7516 4.7516 5.3819 5.3819 6.2875 6.2875 7.9509 7.9509 8.2266 8.2266 10.1074 10.1074 10.5338 10.5338 11.5076 11.5076 13.6751 13.6751 15.3475 15.3475 k = 0.0000 0.5729 0.5268 ( 2468 PWs) bands (ev): -8.8197 -8.8197 -5.3902 -5.3902 -4.4893 -4.4893 -1.8486 -1.8486 1.2988 1.2988 2.7346 2.7346 3.5820 3.5820 3.8111 3.8111 4.5759 4.5759 5.2031 5.2031 6.3315 6.3315 7.7891 7.7891 8.2717 8.2717 10.1496 10.1496 10.5742 10.5742 11.5462 11.5462 13.5147 13.5147 15.1698 15.1698 k = 0.0000 0.5729 0.5444 ( 2466 PWs) bands (ev): -8.7568 -8.7568 -5.3318 -5.3318 -4.4300 -4.4300 -1.7910 -1.7910 1.1067 1.1067 2.7851 2.7851 3.6158 3.6158 3.8575 3.8575 4.4058 4.4058 5.0272 5.0272 6.3763 6.3763 7.6278 7.6278 8.3179 8.3179 10.1936 10.1936 10.6151 10.6151 11.5854 11.5854 13.3562 13.3562 14.9956 14.9956 k = 0.0000 0.5729 0.5620 ( 2466 PWs) bands (ev): -8.6929 -8.6929 -5.2723 -5.2723 -4.3696 -4.3696 -1.7326 -1.7326 0.9179 0.9179 2.8362 2.8362 3.6432 3.6432 3.9042 3.9042 4.2448 4.2448 4.8547 4.8547 6.4217 6.4217 7.4679 7.4679 8.3649 8.3649 10.2390 10.2390 10.6562 10.6562 11.6251 11.6251 13.2000 13.2000 14.8252 14.8252 k = 0.0000 0.5729 0.5795 ( 2466 PWs) bands (ev): -8.6280 -8.6280 -5.2120 -5.2120 -4.3084 -4.3084 -1.6733 -1.6733 0.7327 0.7327 2.8879 2.8879 3.6560 3.6560 3.9507 3.9507 4.1009 4.1009 4.6866 4.6866 6.4676 6.4676 7.3096 7.3096 8.4127 8.4127 10.2855 10.2855 10.6976 10.6976 11.6652 11.6652 13.0467 13.0467 14.6588 14.6588 k = 0.0000 0.5729 0.5971 ( 2464 PWs) bands (ev): -8.5622 -8.5622 -5.1510 -5.1510 -4.2463 -4.2463 -1.6135 -1.6135 0.5512 0.5512 2.9399 2.9399 3.6357 3.6357 3.9797 3.9797 4.0088 4.0088 4.5242 4.5242 6.5136 6.5136 7.1536 7.1536 8.4609 8.4609 10.3327 10.3327 10.7391 10.7391 11.7054 11.7054 12.8964 12.8964 14.4967 14.4967 k = 0.0000 0.5729 0.6146 ( 2464 PWs) bands (ev): -8.4958 -8.4958 -5.0895 -5.0895 -4.1837 -4.1837 -1.5531 -1.5531 0.3736 0.3736 2.9922 2.9922 3.5611 3.5611 3.9298 3.9298 4.0483 4.0483 4.3706 4.3706 6.5597 6.5597 7.0002 7.0002 8.5095 8.5095 10.3805 10.3805 10.7805 10.7805 11.7457 11.7457 12.7495 12.7495 14.3390 14.3390 k = 0.0000 0.5729 0.6322 ( 2462 PWs) bands (ev): -8.4288 -8.4288 -5.0276 -5.0276 -4.1206 -4.1206 -1.4924 -1.4924 0.2003 0.2003 3.0446 3.0446 3.4428 3.4428 3.9065 3.9065 4.0947 4.0947 4.2345 4.2345 6.6051 6.6051 6.8502 6.8502 8.5582 8.5582 10.4285 10.4285 10.8218 10.8218 11.7859 11.7859 12.6065 12.6065 14.1859 14.1859 k = 0.0000 0.5729 0.6498 ( 2462 PWs) bands (ev): -8.3616 -8.3616 -4.9655 -4.9655 -4.0572 -4.0572 -1.4316 -1.4316 0.0314 0.0314 3.0968 3.0968 3.3062 3.3062 3.8692 3.8692 4.1294 4.1294 4.1499 4.1499 6.6443 6.6443 6.7093 6.7093 8.6068 8.6068 10.4766 10.4766 10.8628 10.8628 11.8256 11.8256 12.4676 12.4676 14.0377 14.0377 k = 0.0000 0.5729 0.6673 ( 2456 PWs) bands (ev): -8.2942 -8.2942 -4.9034 -4.9034 -3.9938 -3.9938 -1.3709 -1.3709 -0.1328 -0.1328 3.1478 3.1478 3.1654 3.1654 3.7818 3.7818 4.1027 4.1027 4.1899 4.1899 6.5526 6.5526 6.7025 6.7025 8.6552 8.6552 10.5246 10.5246 10.9033 10.9033 11.8647 11.8647 12.3333 12.3333 13.8945 13.8945 k = 0.0000 0.5729 0.6849 ( 2452 PWs) bands (ev): -8.2270 -8.2270 -4.8416 -4.8416 -3.9305 -3.9305 -1.3106 -1.3106 -0.2920 -0.2920 3.0222 3.0222 3.2007 3.2007 3.6604 3.6604 4.1123 4.1123 4.2356 4.2356 6.4141 6.4141 6.7457 6.7457 8.7032 8.7032 10.5722 10.5722 10.9432 10.9432 11.9023 11.9023 12.2046 12.2046 13.7566 13.7566 k = 0.0000 0.5729 0.7024 ( 2456 PWs) bands (ev): -8.1602 -8.1602 -4.7802 -4.7802 -3.8677 -3.8677 -1.2509 -1.2509 -0.4458 -0.4458 2.8830 2.8830 3.2515 3.2515 3.5291 3.5291 4.1381 4.1381 4.2807 4.2807 6.2783 6.2783 6.7896 6.7896 8.7505 8.7505 10.6191 10.6191 10.9824 10.9824 11.9353 11.9353 12.0846 12.0846 13.6242 13.6242 k = 0.0000 0.5729 0.7200 ( 2450 PWs) bands (ev): -8.0941 -8.0941 -4.7196 -4.7196 -3.8055 -3.8055 -1.1922 -1.1922 -0.5939 -0.5939 2.7475 2.7475 3.3011 3.3011 3.3975 3.3975 4.1702 4.1702 4.3249 4.3249 6.1467 6.1467 6.8329 6.8329 8.7970 8.7970 10.6650 10.6650 11.0206 11.0206 11.9270 11.9270 12.0103 12.0103 13.4976 13.4976 k = 0.0000 0.5729 0.7376 ( 2450 PWs) bands (ev): -8.0289 -8.0289 -4.6601 -4.6601 -3.7443 -3.7443 -1.1351 -1.1351 -0.7357 -0.7357 2.6168 2.6168 3.2657 3.2657 3.3526 3.3526 4.2047 4.2047 4.3679 4.3679 6.0198 6.0198 6.8750 6.8750 8.8424 8.8424 10.7099 10.7099 11.0577 11.0577 11.8303 11.8303 12.0288 12.0288 13.3768 13.3768 k = 0.0000 0.5729 0.7551 ( 2446 PWs) bands (ev): -7.9651 -7.9651 -4.6018 -4.6018 -3.6843 -3.6843 -1.0811 -1.0811 -0.8693 -0.8693 2.4914 2.4914 3.1413 3.1413 3.3998 3.3998 4.2399 4.2399 4.4095 4.4095 5.8980 5.8980 6.9159 6.9159 8.8866 8.8866 10.7532 10.7532 11.0935 11.0935 11.7245 11.7245 12.0612 12.0612 13.2623 13.2623 k = 0.0000 0.5729 0.7727 ( 2450 PWs) bands (ev): -7.9030 -7.9030 -4.5452 -4.5452 -3.6260 -3.6260 -1.0483 -1.0483 -0.9769 -0.9769 2.3718 2.3718 3.0216 3.0216 3.4462 3.4462 4.2748 4.2748 4.4495 4.4495 5.7817 5.7817 6.9553 6.9553 8.9292 8.9292 10.7949 10.7949 11.1279 11.1279 11.6227 11.6227 12.0942 12.0942 13.1541 13.1541 k = 0.0000 0.5729 0.7902 ( 2448 PWs) bands (ev): -7.8429 -7.8429 -4.4907 -4.4907 -3.5697 -3.5697 -1.1353 -1.1353 -0.9596 -0.9596 2.2586 2.2586 2.9078 2.9078 3.4910 3.4910 4.3088 4.3088 4.4878 4.4878 5.6713 5.6713 6.9929 6.9929 8.9700 8.9700 10.8344 10.8344 11.1606 11.1606 11.5269 11.5269 12.1264 12.1264 13.0526 13.0526 k = 0.0000 0.5729 0.8078 ( 2450 PWs) bands (ev): -7.7853 -7.7853 -4.4385 -4.4385 -3.5157 -3.5157 -1.2472 -1.2472 -0.9124 -0.9124 2.1522 2.1522 2.8006 2.8006 3.5339 3.5339 4.3414 4.3414 4.5239 4.5239 5.5672 5.5672 7.0285 7.0285 9.0087 9.0087 10.8714 10.8714 11.1915 11.1915 11.4379 11.4379 12.1571 12.1571 12.9580 12.9580 k = 0.0000 0.5729 0.8254 ( 2454 PWs) bands (ev): -7.7306 -7.7306 -4.3890 -4.3890 -3.4644 -3.4644 -1.3537 -1.3537 -0.8655 -0.8655 2.0531 2.0531 2.7006 2.7006 3.5746 3.5746 4.3723 4.3723 4.5579 4.5579 5.4697 5.4697 7.0619 7.0619 9.0452 9.0452 10.9053 10.9053 11.2200 11.2200 11.3566 11.3566 12.1860 12.1860 12.8706 12.8706 k = 0.0000 0.5729 0.8429 ( 2450 PWs) bands (ev): -7.6792 -7.6792 -4.3426 -4.3426 -3.4163 -3.4163 -1.4524 -1.4524 -0.8210 -0.8210 1.9617 1.9617 2.6081 2.6081 3.6129 3.6129 4.4011 4.4011 4.5895 4.5895 5.3793 5.3793 7.0929 7.0929 9.0792 9.0792 10.9354 10.9354 11.2440 11.2440 11.2861 11.2861 12.2129 12.2129 12.7905 12.7905 k = 0.0000 0.5729 0.8605 ( 2448 PWs) bands (ev): -7.6315 -7.6315 -4.2998 -4.2998 -3.3718 -3.3718 -1.5425 -1.5425 -0.7798 -0.7798 1.8785 1.8785 2.5238 2.5238 3.6485 3.6485 4.4276 4.4276 4.6184 4.6184 5.2965 5.2965 7.1213 7.1213 9.1104 9.1104 10.9604 10.9604 11.2152 11.2152 11.2756 11.2756 12.2376 12.2376 12.7180 12.7180 k = 0.0000 0.5729 0.8780 ( 2446 PWs) bands (ev): -7.5881 -7.5881 -4.2609 -4.2609 -3.3313 -3.3313 -1.6236 -1.6236 -0.7423 -0.7423 1.8039 1.8039 2.4480 2.4480 3.6811 3.6811 4.4515 4.4515 4.6445 4.6445 5.2216 5.2216 7.1468 7.1468 9.1386 9.1386 10.9775 10.9775 11.1653 11.1653 11.2963 11.2963 12.2598 12.2598 12.6535 12.6535 k = 0.0000 0.5729 0.8956 ( 2450 PWs) bands (ev): -7.5494 -7.5494 -4.2262 -4.2262 -3.2951 -3.2951 -1.6950 -1.6950 -0.7089 -0.7089 1.7382 1.7382 2.3813 2.3813 3.7103 3.7103 4.4726 4.4726 4.6677 4.6677 5.1552 5.1552 7.1694 7.1694 9.1636 9.1636 10.9824 10.9824 11.1310 11.1310 11.3156 11.3156 12.2795 12.2795 12.5970 12.5970 k = 0.0000 0.5729 0.9132 ( 2450 PWs) bands (ev): -7.5158 -7.5158 -4.1962 -4.1962 -3.2638 -3.2638 -1.7562 -1.7562 -0.6799 -0.6799 1.6819 1.6819 2.3240 2.3240 3.7359 3.7359 4.4908 4.4908 4.6878 4.6878 5.0977 5.0977 7.1888 7.1888 9.1851 9.1851 10.9721 10.9721 11.1161 11.1161 11.3323 11.3323 12.2965 12.2965 12.5488 12.5488 k = 0.0000 0.5729 0.9307 ( 2442 PWs) bands (ev): -7.4877 -7.4877 -4.1711 -4.1711 -3.2375 -3.2375 -1.8070 -1.8070 -0.6558 -0.6558 1.6353 1.6353 2.2766 2.2766 3.7574 3.7574 4.5059 4.5059 4.7046 4.7046 5.0497 5.0497 7.2049 7.2049 9.2030 9.2030 10.9523 10.9523 11.1154 11.1154 11.3462 11.3462 12.3105 12.3105 12.5091 12.5091 k = 0.0000 0.5729 0.9483 ( 2440 PWs) bands (ev): -7.4655 -7.4655 -4.1513 -4.1513 -3.2168 -3.2168 -1.8469 -1.8469 -0.6367 -0.6367 1.5988 1.5988 2.2394 2.2394 3.7746 3.7746 4.5178 4.5178 4.7180 4.7180 5.0115 5.0115 7.2175 7.2175 9.2171 9.2171 10.9315 10.9315 11.1201 11.1201 11.3572 11.3572 12.3216 12.3216 12.4781 12.4781 k = 0.0000 0.5729 0.9659 ( 2440 PWs) bands (ev): -7.4494 -7.4494 -4.1370 -4.1370 -3.2018 -3.2018 -1.8756 -1.8756 -0.6229 -0.6229 1.5725 1.5725 2.2125 2.2125 3.7872 3.7872 4.5263 4.5263 4.7278 4.7278 4.9838 4.9838 7.2266 7.2266 9.2273 9.2273 10.9146 10.9146 11.1255 11.1255 11.3651 11.3651 12.3295 12.3295 12.4559 12.4559 k = 0.0000 0.5729 0.9834 ( 2438 PWs) bands (ev): -7.4396 -7.4396 -4.1283 -4.1283 -3.1927 -3.1927 -1.8929 -1.8929 -0.6145 -0.6145 1.5566 1.5566 2.1964 2.1964 3.7948 3.7948 4.5314 4.5314 4.7338 4.7338 4.9669 4.9669 7.2321 7.2321 9.2334 9.2334 10.9040 10.9040 11.1293 11.1293 11.3699 11.3699 12.3342 12.3342 12.4426 12.4426 k = 0.0000 0.5729 1.0010 ( 2440 PWs) bands (ev): -7.4364 -7.4364 -4.1254 -4.1254 -3.1896 -3.1896 -1.8987 -1.8987 -0.6117 -0.6117 1.5513 1.5513 2.1910 2.1910 3.7974 3.7974 4.5332 4.5332 4.7359 4.7359 4.9612 4.9612 7.2339 7.2339 9.2355 9.2355 10.9003 10.9003 11.1306 11.1306 11.3715 11.3715 12.3358 12.3358 12.4381 12.4381 k = 0.0000 0.5729 1.0010 ( 2440 PWs) bands (ev): -7.4364 -7.4364 -4.1254 -4.1254 -3.1896 -3.1896 -1.8987 -1.8987 -0.6117 -0.6117 1.5513 1.5513 2.1910 2.1910 3.7974 3.7974 4.5332 4.5332 4.7359 4.7359 4.9612 4.9612 7.2339 7.2339 9.2355 9.2355 10.9003 10.9003 11.1306 11.1306 11.3715 11.3715 12.3358 12.3358 12.4381 12.4381 k = 0.0168 0.5729 1.0010 ( 2442 PWs) bands (ev): -7.4361 -7.4361 -4.1249 -4.1249 -3.1933 -3.1933 -1.8985 -1.8985 -0.6065 -0.6065 1.5517 1.5517 2.1889 2.1889 3.7877 3.7877 4.5389 4.5389 4.7391 4.7391 4.9635 4.9635 7.2342 7.2342 9.2360 9.2360 10.8992 10.8992 11.1254 11.1254 11.3430 11.3430 12.3721 12.3721 12.4384 12.4384 k = 0.0336 0.5729 1.0010 ( 2438 PWs) bands (ev): -7.4353 -7.4353 -4.1232 -4.1232 -3.2041 -3.2041 -1.8979 -1.8979 -0.5910 -0.5910 1.5530 1.5530 2.1828 2.1828 3.7604 3.7604 4.5527 4.5527 4.7504 4.7504 4.9704 4.9704 7.2348 7.2348 9.2376 9.2376 10.8961 10.8961 11.1011 11.1011 11.2790 11.2790 12.4344 12.4344 12.4728 12.4728 k = 0.0504 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.4339 -7.4339 -4.1205 -4.1205 -3.2218 -3.2218 -1.8969 -1.8969 -0.5657 -0.5657 1.5550 1.5550 2.1727 2.1727 3.7189 3.7189 4.5665 4.5665 4.7745 4.7745 4.9818 4.9818 7.2353 7.2353 9.2404 9.2404 10.8910 10.8910 11.0308 11.0308 11.2293 11.2293 12.4340 12.4340 12.6067 12.6067 k = 0.0672 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.4320 -7.4320 -4.1167 -4.1167 -3.2458 -3.2458 -1.8955 -1.8955 -0.5311 -0.5311 1.5578 1.5578 2.1590 2.1590 3.6678 3.6678 4.5727 4.5727 4.8149 4.8149 4.9974 4.9974 7.2350 7.2350 9.2444 9.2444 10.8818 10.8818 10.9157 10.9157 11.2124 11.2124 12.4297 12.4297 12.7628 12.7628 k = 0.0840 0.5729 1.0010 ( 2440 PWs) bands (ev): -7.4295 -7.4295 -4.1118 -4.1118 -3.2754 -3.2754 -1.8938 -1.8938 -0.4880 -0.4880 1.5615 1.5615 2.1418 2.1418 3.6105 3.6105 4.5690 4.5690 4.8704 4.8704 5.0170 5.0170 7.2331 7.2331 9.2496 9.2496 10.7731 10.7731 10.8792 10.8792 11.2112 11.2112 12.4217 12.4217 12.9298 12.9298 k = 0.1008 0.5729 1.0010 ( 2442 PWs) bands (ev): -7.4266 -7.4266 -4.1058 -4.1058 -3.3099 -3.3099 -1.8917 -1.8917 -0.4375 -0.4375 1.5659 1.5659 2.1214 2.1214 3.5498 3.5498 4.5569 4.5569 4.9367 4.9367 5.0405 5.0405 7.2284 7.2284 9.2563 9.2563 10.6309 10.6309 10.8708 10.8708 11.2164 11.2164 12.4090 12.4090 13.0471 13.0471 k = 0.1176 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.4233 -7.4233 -4.0988 -4.0988 -3.3484 -3.3484 -1.8893 -1.8893 -0.3805 -0.3805 1.5711 1.5711 2.0983 2.0983 3.4880 3.4880 4.5388 4.5388 5.0089 5.0089 5.0687 5.0687 7.2193 7.2193 9.2647 9.2647 10.4903 10.4903 10.8629 10.8629 11.2252 11.2252 12.3907 12.3907 13.0625 13.0625 k = 0.1344 0.5729 1.0010 ( 2442 PWs) bands (ev): -7.4196 -7.4196 -4.0907 -4.0907 -3.3901 -3.3901 -1.8867 -1.8867 -0.3182 -0.3182 1.5771 1.5771 2.0729 2.0729 3.4265 3.4265 4.5161 4.5161 5.0748 5.0748 5.1103 5.1103 7.2045 7.2045 9.2748 9.2748 10.3556 10.3556 10.8557 10.8557 11.2364 11.2364 12.3667 12.3667 13.0833 13.0833 k = 0.1512 0.5729 1.0010 ( 2436 PWs) bands (ev): -7.4156 -7.4156 -4.0816 -4.0816 -3.4343 -3.4343 -1.8838 -1.8838 -0.2517 -0.2517 1.5838 1.5838 2.0456 2.0456 3.3668 3.3668 4.4900 4.4900 5.1155 5.1155 5.1822 5.1822 7.1822 7.1822 9.2872 9.2872 10.2296 10.2296 10.8498 10.8498 11.2494 11.2494 12.3371 12.3371 13.1096 13.1096 k = 0.1680 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.4113 -7.4113 -4.0715 -4.0715 -3.4802 -3.4802 -1.8807 -1.8807 -0.1821 -0.1821 1.5912 1.5912 2.0168 2.0168 3.3099 3.3099 4.4611 4.4611 5.1489 5.1489 5.2644 5.2644 7.1508 7.1508 9.3021 9.3021 10.1143 10.1143 10.8456 10.8456 11.2639 11.2639 12.3027 12.3027 13.1408 13.1408 k = 0.1848 0.5729 1.0010 ( 2442 PWs) bands (ev): -7.4068 -7.4068 -4.0604 -4.0604 -3.5270 -3.5270 -1.8776 -1.8776 -0.1107 -0.1107 1.5993 1.5993 1.9870 1.9870 3.2569 3.2569 4.4301 4.4301 5.1818 5.1818 5.3488 5.3488 7.1089 7.1089 9.3198 9.3198 10.0112 10.0112 10.8437 10.8437 11.2797 11.2797 12.2644 12.2644 13.1757 13.1757 k = 0.2016 0.5729 1.0010 ( 2438 PWs) bands (ev): -7.4021 -7.4021 -4.0483 -4.0483 -3.5743 -3.5743 -1.8743 -1.8743 -0.0385 -0.0385 1.6081 1.6081 1.9565 1.9565 3.2088 3.2088 4.3975 4.3975 5.2144 5.2144 5.4336 5.4336 7.0556 7.0556 9.3410 9.3410 9.9212 9.9212 10.8445 10.8445 11.2966 11.2966 12.2229 12.2229 13.2130 13.2130 k = 0.2184 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.3975 -7.3975 -4.0353 -4.0353 -3.6213 -3.6213 -1.8710 -1.8710 0.0330 0.0330 1.6175 1.6175 1.9258 1.9258 3.1665 3.1665 4.3636 4.3636 5.2467 5.2467 5.5176 5.5176 6.9902 6.9902 9.3659 9.3659 9.8447 9.8447 10.8484 10.8484 11.3144 11.3144 12.1793 12.1793 13.2509 13.2509 k = 0.2352 0.5729 1.0010 ( 2446 PWs) bands (ev): -7.3928 -7.3928 -4.0213 -4.0213 -3.6676 -3.6676 -1.8678 -1.8678 0.1026 0.1026 1.6274 1.6274 1.8953 1.8953 3.1311 3.1311 4.3288 4.3288 5.2781 5.2781 5.5999 5.5999 6.9131 6.9131 9.3949 9.3949 9.7816 9.7816 10.8556 10.8556 11.3332 11.3332 12.1343 12.1343 13.2876 13.2876 k = 0.2520 0.5729 1.0010 ( 2448 PWs) bands (ev): -7.3883 -7.3883 -4.0065 -4.0065 -3.7127 -3.7127 -1.8646 -1.8646 0.1692 0.1692 1.6378 1.6378 1.8654 1.8654 3.1035 3.1035 4.2935 4.2935 5.3084 5.3084 5.6792 5.6792 6.8254 6.8254 9.4281 9.4281 9.7310 9.7310 10.8663 10.8663 11.3528 11.3528 12.0887 12.0887 13.3209 13.3209 k = 0.2688 0.5729 1.0010 ( 2444 PWs) bands (ev): -7.3839 -7.3839 -3.9908 -3.9908 -3.7561 -3.7561 -1.8617 -1.8617 0.2315 0.2315 1.6486 1.6486 1.8366 1.8366 3.0848 3.0848 4.2580 4.2580 5.3370 5.3370 5.7537 5.7537 6.7294 6.7294 9.4657 9.4657 9.6921 9.6921 10.8807 10.8807 11.3732 11.3732 12.0433 12.0433 13.3479 13.3479 k = 0.2856 0.5729 1.0010 ( 2448 PWs) bands (ev): -7.3799 -7.3799 -3.9745 -3.9745 -3.7973 -3.7973 -1.8589 -1.8589 0.2881 0.2881 1.6594 1.6594 1.8094 1.8094 3.0759 3.0759 4.2224 4.2224 5.3636 5.3636 5.8204 5.8204 6.6287 6.6287 9.5071 9.5071 9.6638 9.6638 10.8985 10.8985 11.3946 11.3946 11.9988 11.9988 13.3653 13.3653 k = 0.3024 0.5729 1.0010 ( 2446 PWs) bands (ev): -7.3763 -7.3763 -3.9576 -3.9576 -3.8359 -3.8359 -1.8565 -1.8565 0.3381 0.3381 1.6697 1.6697 1.7845 1.7845 3.0777 3.0777 4.1871 4.1871 5.3879 5.3879 5.8734 5.8734 6.5303 6.5303 9.5513 9.5513 9.6457 9.6457 10.9194 10.9194 11.4171 11.4171 11.9560 11.9560 13.3689 13.3689 k = 0.3192 0.5729 1.0010 ( 2446 PWs) bands (ev): -7.3731 -7.3731 -3.9410 -3.9410 -3.8708 -3.8708 -1.8544 -1.8544 0.3804 0.3804 1.6785 1.6785 1.7634 1.7634 3.0910 3.0910 4.1522 4.1522 5.4096 5.4096 5.9017 5.9017 6.4463 6.4463 9.5929 9.5929 9.6412 9.6412 10.9428 10.9428 11.4409 11.4409 11.9158 11.9158 13.3550 13.3550 k = 0.3360 0.5729 1.0010 ( 2454 PWs) bands (ev): -7.3705 -7.3705 -3.9305 -3.9305 -3.8959 -3.8959 -1.8528 -1.8528 0.4144 0.4144 1.6828 1.6828 1.7491 1.7491 3.1160 3.1160 4.1181 4.1181 5.4284 5.4284 5.8886 5.8886 6.3945 6.3945 9.6117 9.6117 9.6689 9.6689 10.9678 10.9678 11.4664 11.4664 11.8794 11.8794 13.3209 13.3209 k = 0.3360 0.5729 1.0010 ( 2454 PWs) bands (ev): -7.3705 -7.3705 -3.9305 -3.9305 -3.8959 -3.8959 -1.8528 -1.8528 0.4144 0.4144 1.6828 1.6828 1.7491 1.7491 3.1160 3.1160 4.1181 4.1181 5.4284 5.4284 5.8886 5.8886 6.3945 6.3945 9.6117 9.6117 9.6689 9.6689 10.9678 10.9678 11.4664 11.4664 11.8794 11.8794 13.3209 13.3209 k = 0.3271 0.5579 1.0010 ( 2442 PWs) bands (ev): -7.3754 -7.3754 -3.9298 -3.9298 -3.8693 -3.8693 -1.8559 -1.8559 0.3535 0.3535 1.6819 1.6819 1.7688 1.7688 3.0519 3.0519 4.1875 4.1875 5.3926 5.3926 5.9673 5.9673 6.4572 6.4572 9.5567 9.5567 9.6198 9.6198 10.9112 10.9112 11.4173 11.4173 11.9554 11.9554 13.4133 13.4133 k = 0.3183 0.5428 1.0010 ( 2442 PWs) bands (ev): -7.3808 -7.3808 -3.9277 -3.9277 -3.8416 -3.8416 -1.8594 -1.8594 0.2928 0.2928 1.6821 1.6821 1.7891 1.7891 2.9873 2.9873 4.2563 4.2563 5.3568 5.3568 6.0439 6.0439 6.5196 6.5196 9.4670 9.4670 9.6064 9.6064 10.8475 10.8475 11.3795 11.3795 12.0407 12.0407 13.5070 13.5070 k = 0.3094 0.5277 1.0010 ( 2444 PWs) bands (ev): -7.3867 -7.3867 -3.9243 -3.9243 -3.8130 -3.8130 -1.8633 -1.8633 0.2325 0.2325 1.6833 1.6833 1.8099 1.8099 2.9224 2.9224 4.3236 4.3236 5.3210 5.3210 6.1176 6.1176 6.5816 6.5816 9.3818 9.3818 9.5903 9.5903 10.7791 10.7791 11.3539 11.3539 12.1321 12.1321 13.6012 13.6012 k = 0.3006 0.5126 1.0010 ( 2444 PWs) bands (ev): -7.3932 -7.3932 -3.9194 -3.9194 -3.7834 -3.7834 -1.8676 -1.8676 0.1729 0.1729 1.6857 1.6857 1.8313 1.8313 2.8575 2.8575 4.3884 4.3884 5.2856 5.2856 6.1877 6.1877 6.6433 6.6433 9.3042 9.3042 9.5698 9.5698 10.7074 10.7074 11.3410 11.3410 12.2274 12.2274 13.6952 13.6952 k = 0.2918 0.4975 1.0010 ( 2448 PWs) bands (ev): -7.4000 -7.4000 -3.9129 -3.9129 -3.7530 -3.7530 -1.8723 -1.8723 0.1140 0.1140 1.6894 1.6894 1.8530 1.8530 2.7927 2.7927 4.4498 4.4498 5.2507 5.2507 6.2532 6.2532 6.7046 6.7046 9.2355 9.2355 9.5455 9.5455 10.6337 10.6337 11.3409 11.3409 12.3245 12.3245 13.7880 13.7880 k = 0.2829 0.4825 1.0010 ( 2448 PWs) bands (ev): -7.4074 -7.4074 -3.9048 -3.9048 -3.7218 -3.7218 -1.8774 -1.8774 0.0561 0.0561 1.6943 1.6943 1.8750 1.8750 2.7280 2.7280 4.5068 4.5068 5.2164 5.2164 6.3135 6.3135 6.7656 6.7656 9.1766 9.1766 9.5186 9.5186 10.5586 10.5586 11.3530 11.3530 12.4216 12.4216 13.8787 13.8787 k = 0.2741 0.4674 1.0010 ( 2448 PWs) bands (ev): -7.4152 -7.4152 -3.8950 -3.8950 -3.6900 -3.6900 -1.8830 -1.8830 -0.0007 -0.0007 1.7005 1.7005 1.8972 1.8972 2.6635 2.6635 4.5586 4.5586 5.1829 5.1829 6.3675 6.3675 6.8266 6.8266 9.1282 9.1282 9.4906 9.4906 10.4826 10.4826 11.3769 11.3769 12.5168 12.5168 13.9659 13.9659 k = 0.2652 0.4523 1.0010 ( 2440 PWs) bands (ev): -7.4235 -7.4235 -3.8837 -3.8837 -3.6575 -3.6575 -1.8889 -1.8889 -0.0564 -0.0564 1.7080 1.7080 1.9196 1.9196 2.5994 2.5994 4.6043 4.6043 5.1502 5.1502 6.4146 6.4146 6.8876 6.8876 9.0909 9.0909 9.4631 9.4631 10.4062 10.4062 11.4115 11.4115 12.6081 12.6081 14.0480 14.0480 k = 0.2564 0.4372 1.0010 ( 2444 PWs) bands (ev): -7.4322 -7.4322 -3.8707 -3.8707 -3.6245 -3.6245 -1.8952 -1.8952 -0.1108 -0.1108 1.7168 1.7168 1.9421 1.9421 2.5358 2.5358 4.6430 4.6430 5.1186 5.1186 6.4540 6.4540 6.9490 6.9490 9.0653 9.0653 9.4379 9.4379 10.3296 10.3296 11.4560 11.4560 12.6935 12.6935 14.1232 14.1232 k = 0.2476 0.4222 1.0010 ( 2444 PWs) bands (ev): -7.4413 -7.4413 -3.8561 -3.8561 -3.5912 -3.5912 -1.9018 -1.9018 -0.1638 -0.1638 1.7269 1.7269 1.9645 1.9645 2.4726 2.4726 4.6743 4.6743 5.0881 5.0881 6.4850 6.4850 7.0110 7.0110 9.0516 9.0516 9.4166 9.4166 10.2532 10.2532 11.5092 11.5092 12.7706 12.7706 14.1835 14.1835 k = 0.2387 0.4071 1.0010 ( 2440 PWs) bands (ev): -7.4507 -7.4507 -3.8399 -3.8399 -3.5574 -3.5574 -1.9087 -1.9087 -0.2153 -0.2153 1.7383 1.7383 1.9868 1.9868 2.4100 2.4100 4.6977 4.6977 5.0588 5.0588 6.5072 6.5072 7.0738 7.0738 9.0499 9.0499 9.4006 9.4006 10.1771 10.1771 11.5704 11.5704 12.8372 12.8372 14.1105 14.1105 k = 0.2299 0.3920 1.0010 ( 2442 PWs) bands (ev): -7.4604 -7.4604 -3.8222 -3.8222 -3.5235 -3.5235 -1.9160 -1.9160 -0.2653 -0.2653 1.7509 1.7509 2.0089 2.0089 2.3480 2.3480 4.7130 4.7130 5.0308 5.0308 6.5203 6.5203 7.1376 7.1376 9.0599 9.0599 9.3910 9.3910 10.1014 10.1014 11.6384 11.6384 12.8913 12.8913 14.0362 14.0362 k = 0.2210 0.3769 1.0010 ( 2446 PWs) bands (ev): -7.4704 -7.4704 -3.8030 -3.8030 -3.4894 -3.4894 -1.9235 -1.9235 -0.3136 -0.3136 1.7646 1.7646 2.0307 2.0307 2.2867 2.2867 4.7202 4.7202 5.0042 5.0042 6.5242 6.5242 7.2025 7.2025 9.0816 9.0816 9.3886 9.3886 10.0265 10.0265 11.7125 11.7125 12.9310 12.9310 13.9613 13.9613 k = 0.2122 0.3619 1.0010 ( 2446 PWs) bands (ev): -7.4805 -7.4805 -3.7825 -3.7825 -3.4553 -3.4553 -1.9312 -1.9312 -0.3603 -0.3603 1.7795 1.7795 2.0521 2.0521 2.2263 2.2263 4.7197 4.7197 4.9790 4.9790 6.5191 6.5191 7.2685 7.2685 9.1142 9.1142 9.3938 9.3938 9.9524 9.9524 11.7919 11.7919 12.9556 12.9556 13.8859 13.8859 k = 0.2033 0.3468 1.0010 ( 2446 PWs) bands (ev): -7.4908 -7.4908 -3.7607 -3.7607 -3.4213 -3.4213 -1.9391 -1.9391 -0.4051 -0.4051 1.7954 1.7954 2.0727 2.0727 2.1670 2.1670 4.7118 4.7118 4.9553 4.9553 6.5055 6.5055 7.3355 7.3355 9.1574 9.1574 9.4068 9.4068 9.8793 9.8793 11.8757 11.8757 12.9651 12.9651 13.8103 13.8103 k = 0.1945 0.3317 1.0010 ( 2438 PWs) bands (ev): -7.5013 -7.5013 -3.7378 -3.7378 -3.3876 -3.3876 -1.9471 -1.9471 -0.4482 -0.4482 1.8122 1.8122 2.0888 2.0888 2.1127 2.1127 4.6974 4.6974 4.9331 4.9331 6.4840 6.4840 7.4033 7.4033 9.2103 9.2103 9.4274 9.4274 9.8073 9.8073 11.9632 11.9632 12.9605 12.9605 13.7346 13.7346 k = 0.1857 0.3166 1.0010 ( 2430 PWs) bands (ev): -7.5117 -7.5117 -3.7138 -3.7138 -3.3541 -3.3541 -1.9552 -1.9552 -0.4895 -0.4895 1.8298 1.8298 2.0476 2.0476 2.1160 2.1160 4.6770 4.6770 4.9124 4.9124 6.4555 6.4555 7.4715 7.4715 9.2722 9.2722 9.4552 9.4552 9.7367 9.7367 12.0537 12.0537 12.9436 12.9436 13.6591 13.6591 k = 0.1768 0.3015 1.0010 ( 2434 PWs) bands (ev): -7.5222 -7.5222 -3.6890 -3.6890 -3.3211 -3.3211 -1.9634 -1.9634 -0.5288 -0.5288 1.8481 1.8481 1.9917 1.9917 2.1346 2.1346 4.6516 4.6516 4.8933 4.8933 6.4209 6.4209 7.5397 7.5397 9.3422 9.3422 9.4896 9.4896 9.6677 9.6677 12.1464 12.1464 12.9164 12.9164 13.5842 13.5842 k = 0.1680 0.2865 1.0010 ( 2438 PWs) bands (ev): -7.5325 -7.5325 -3.6635 -3.6635 -3.2887 -3.2887 -1.9715 -1.9715 -0.5663 -0.5663 1.8669 1.8669 1.9364 1.9364 2.1530 2.1530 4.6221 4.6221 4.8757 4.8757 6.3813 6.3813 7.6075 7.6075 9.4191 9.4191 9.5297 9.5297 9.6009 9.6009 12.2403 12.2403 12.8813 12.8813 13.5102 13.5102 k = 0.1591 0.2714 1.0010 ( 2426 PWs) bands (ev): -7.5428 -7.5428 -3.6374 -3.6374 -3.2570 -3.2570 -1.9796 -1.9796 -0.6018 -0.6018 1.8805 1.8805 1.8879 1.8879 2.1708 2.1708 4.5893 4.5893 4.8596 4.8596 6.3377 6.3377 7.6745 7.6745 9.4982 9.4982 9.5377 9.5377 9.5774 9.5774 12.3344 12.3344 12.8404 12.8404 13.4378 13.4378 k = 0.1503 0.2563 1.0010 ( 2430 PWs) bands (ev): -7.5528 -7.5528 -3.6109 -3.6109 -3.2261 -3.2261 -1.9876 -1.9876 -0.6353 -0.6353 1.8293 1.8293 1.9059 1.9059 2.1878 2.1878 4.5542 4.5542 4.8450 4.8450 6.2911 6.2911 7.7402 7.7402 9.4677 9.4677 9.5923 9.5923 9.6287 9.6287 12.4274 12.4274 12.7955 12.7955 13.3678 13.3678 k = 0.1415 0.2412 1.0010 ( 2430 PWs) bands (ev): -7.5627 -7.5627 -3.5843 -3.5843 -3.1962 -3.1962 -1.9955 -1.9955 -0.6668 -0.6668 1.7781 1.7781 1.9255 1.9255 2.2039 2.2039 4.5174 4.5174 4.8318 4.8318 6.2425 6.2425 7.8042 7.8042 9.4069 9.4069 9.6695 9.6695 9.6979 9.6979 12.5173 12.5173 12.7484 12.7484 13.3018 13.3018 k = 0.1326 0.2262 1.0010 ( 2426 PWs) bands (ev): -7.5722 -7.5722 -3.5578 -3.5578 -3.1673 -3.1673 -2.0031 -2.0031 -0.6963 -0.6963 1.7287 1.7287 1.9451 1.9451 2.2192 2.2192 4.4798 4.4798 4.8201 4.8201 6.1928 6.1928 7.8661 7.8661 9.3478 9.3478 9.7298 9.7298 9.7908 9.7908 12.6011 12.6011 12.7002 12.7002 13.2423 13.2423 k = 0.1238 0.2111 1.0010 ( 2422 PWs) bands (ev): -7.5813 -7.5813 -3.5314 -3.5314 -3.1396 -3.1396 -2.0105 -2.0105 -0.7238 -0.7238 1.6811 1.6811 1.9645 1.9645 2.2335 2.2335 4.4420 4.4420 4.8097 4.8097 6.1428 6.1428 7.9256 7.9256 9.2912 9.2912 9.7886 9.7886 9.8899 9.8899 12.6522 12.6522 12.6736 12.6736 13.1942 13.1942 k = 0.1149 0.1960 1.0010 ( 2422 PWs) bands (ev): -7.5901 -7.5901 -3.5056 -3.5056 -3.1133 -3.1133 -2.0175 -2.0175 -0.7494 -0.7494 1.6356 1.6356 1.9835 1.9835 2.2468 2.2468 4.4047 4.4047 4.8005 4.8005 6.0933 6.0933 7.9823 7.9823 9.2372 9.2372 9.8479 9.8479 9.9910 9.9910 12.6051 12.6051 12.7264 12.7264 13.1654 13.1654 k = 0.1061 0.1809 1.0010 ( 2422 PWs) bands (ev): -7.5984 -7.5984 -3.4804 -3.4804 -3.0884 -3.0884 -2.0243 -2.0243 -0.7729 -0.7729 1.5924 1.5924 2.0020 2.0020 2.2592 2.2592 4.3683 4.3683 4.7926 4.7926 6.0449 6.0449 8.0359 8.0359 9.1862 9.1862 9.9075 9.9075 10.0925 10.0925 12.5597 12.5597 12.7494 12.7494 13.1657 13.1657 k = 0.0973 0.1658 1.0010 ( 2422 PWs) bands (ev): -7.6063 -7.6063 -3.4562 -3.4562 -3.0651 -3.0651 -2.0307 -2.0307 -0.7944 -0.7944 1.5516 1.5516 2.0197 2.0197 2.2706 2.2706 4.3334 4.3334 4.7857 4.7857 5.9984 5.9984 8.0862 8.0862 9.1384 9.1384 9.9668 9.9668 10.1931 10.1931 12.5166 12.5166 12.7407 12.7407 13.1964 13.1964 k = 0.0884 0.1508 1.0010 ( 2418 PWs) bands (ev): -7.6135 -7.6135 -3.4331 -3.4331 -3.0434 -3.0434 -2.0366 -2.0366 -0.8140 -0.8140 1.5135 1.5135 2.0366 2.0366 2.2810 2.2810 4.3003 4.3003 4.7799 4.7799 5.9542 5.9542 8.1329 8.1329 9.0939 9.0939 10.0251 10.0251 10.2915 10.2915 12.4761 12.4761 12.7096 12.7096 13.2479 13.2479 k = 0.0796 0.1357 1.0010 ( 2414 PWs) bands (ev): -7.6203 -7.6203 -3.4114 -3.4114 -3.0235 -3.0235 -2.0421 -2.0421 -0.8315 -0.8315 1.4782 1.4782 2.0524 2.0524 2.2903 2.2903 4.2695 4.2695 4.7749 4.7749 5.9129 5.9129 8.1759 8.1759 9.0529 9.0529 10.0816 10.0816 10.3863 10.3863 12.4387 12.4387 12.6671 12.6671 13.3084 13.3084 k = 0.0707 0.1206 1.0010 ( 2418 PWs) bands (ev): -7.6264 -7.6264 -3.3912 -3.3912 -3.0054 -3.0054 -2.0471 -2.0471 -0.8472 -0.8472 1.4460 1.4460 2.0671 2.0671 2.2987 2.2987 4.2412 4.2412 4.7708 4.7708 5.8748 5.8748 8.2149 8.2149 9.0157 9.0157 10.1356 10.1356 10.4761 10.4761 12.4047 12.4047 12.6203 12.6203 13.3651 13.3651 k = 0.0619 0.1055 1.0010 ( 2422 PWs) bands (ev): -7.6318 -7.6318 -3.3729 -3.3729 -2.9892 -2.9892 -2.0516 -2.0516 -0.8609 -0.8609 1.4170 1.4170 2.0804 2.0804 2.3060 2.3060 4.2156 4.2156 4.7674 4.7674 5.8403 5.8403 8.2497 8.2497 8.9824 8.9824 10.1863 10.1863 10.5597 10.5597 12.3742 12.3742 12.5734 12.5734 13.3460 13.3460 k = 0.0530 0.0905 1.0010 ( 2418 PWs) bands (ev): -7.6366 -7.6366 -3.3566 -3.3566 -2.9751 -2.9751 -2.0555 -2.0555 -0.8728 -0.8728 1.3915 1.3915 2.0922 2.0922 2.3124 2.3124 4.1931 4.1931 4.7647 4.7647 5.8098 5.8098 8.2803 8.2803 8.9531 8.9531 10.2328 10.2328 10.6357 10.6357 12.3475 12.3475 12.5288 12.5288 13.3076 13.3076 k = 0.0442 0.0754 1.0010 ( 2422 PWs) bands (ev): -7.6407 -7.6407 -3.3424 -3.3424 -2.9630 -2.9630 -2.0589 -2.0589 -0.8827 -0.8827 1.3695 1.3695 2.1024 2.1024 2.3178 2.3178 4.1737 4.1737 4.7625 4.7625 5.7835 5.7835 8.3064 8.3064 8.9281 8.9281 10.2742 10.2742 10.7027 10.7027 12.3247 12.3247 12.4882 12.4882 13.2739 13.2739 k = 0.0354 0.0603 1.0010 ( 2426 PWs) bands (ev): -7.6441 -7.6441 -3.3306 -3.3306 -2.9530 -2.9530 -2.0617 -2.0617 -0.8909 -0.8909 1.3513 1.3513 2.1109 2.1109 2.3221 2.3221 4.1577 4.1577 4.7609 4.7609 5.7617 5.7617 8.3279 8.3279 8.9075 8.9075 10.3097 10.3097 10.7595 10.7595 12.3059 12.3059 12.4531 12.4531 13.2460 13.2460 k = 0.0265 0.0452 1.0010 ( 2426 PWs) bands (ev): -7.6468 -7.6468 -3.3213 -3.3213 -2.9452 -2.9452 -2.0639 -2.0639 -0.8972 -0.8972 1.3370 1.3370 2.1176 2.1176 2.3255 2.3255 4.1451 4.1451 4.7596 4.7596 5.7446 5.7446 8.3448 8.3448 8.8913 8.8913 10.3384 10.3384 10.8050 10.8050 12.2912 12.2912 12.4245 12.4245 13.2240 13.2240 k = 0.0177 0.0302 1.0010 ( 2432 PWs) bands (ev): -7.6487 -7.6487 -3.3145 -3.3145 -2.9396 -2.9396 -2.0655 -2.0655 -0.9016 -0.9016 1.3267 1.3267 2.1225 2.1225 2.3279 2.3279 4.1360 4.1360 4.7588 4.7588 5.7322 5.7322 8.3569 8.3569 8.8797 8.8797 10.3595 10.3595 10.8382 10.8382 12.2806 12.2806 12.4034 12.4034 13.2083 13.2083 k = 0.0088 0.0151 1.0010 ( 2432 PWs) bands (ev): -7.6498 -7.6498 -3.3104 -3.3104 -2.9363 -2.9363 -2.0664 -2.0664 -0.9043 -0.9043 1.3205 1.3205 2.1254 2.1254 2.3294 2.3294 4.1306 4.1306 4.7583 4.7583 5.7247 5.7247 8.3642 8.3642 8.8727 8.8727 10.3724 10.3724 10.8584 10.8584 12.2743 12.2743 12.3905 12.3905 13.1988 13.1988 k = 0.0000 0.0000 1.0010 ( 2424 PWs) bands (ev): -7.6502 -7.6502 -3.3091 -3.3091 -2.9352 -2.9352 -2.0667 -2.0667 -0.9052 -0.9052 1.3185 1.3185 2.1264 2.1264 2.3299 2.3299 4.1288 4.1288 4.7581 4.7581 5.7223 5.7223 8.3666 8.3666 8.8704 8.8704 10.3767 10.3767 10.8652 10.8652 12.2722 12.2722 12.3861 12.3861 13.1956 13.1956 k = 0.0000 0.0000 1.0010 ( 2424 PWs) bands (ev): -7.6502 -7.6502 -3.3091 -3.3091 -2.9352 -2.9352 -2.0667 -2.0667 -0.9052 -0.9052 1.3185 1.3185 2.1264 2.1264 2.3299 2.3299 4.1288 4.1288 4.7581 4.7581 5.7223 5.7223 8.3666 8.3666 8.8704 8.8704 10.3767 10.3767 10.8652 10.8652 12.2722 12.2722 12.3861 12.3861 13.1956 13.1956 k = 0.0000 0.0000 0.9834 ( 2424 PWs) bands (ev): -7.6534 -7.6534 -3.3121 -3.3121 -2.9383 -2.9383 -2.0610 -2.0610 -0.9080 -0.9080 1.3164 1.3164 2.1317 2.1317 2.3354 2.3354 4.1268 4.1268 4.7630 4.7630 5.7202 5.7202 8.3650 8.3650 8.8750 8.8750 10.3750 10.3750 10.8639 10.8639 12.2768 12.2768 12.3845 12.3845 13.2000 13.2000 k = 0.0000 0.0000 0.9659 ( 2425 PWs) bands (ev): -7.6631 -7.6631 -3.3210 -3.3210 -2.9476 -2.9476 -2.0437 -2.0437 -0.9162 -0.9162 1.3101 1.3101 2.1478 2.1478 2.3518 2.3518 4.1209 4.1209 4.7776 4.7776 5.7142 5.7142 8.3601 8.3601 8.8888 8.8888 10.3699 10.3699 10.8599 10.8599 12.2906 12.2906 12.3799 12.3799 13.2133 13.2133 k = 0.0000 0.0000 0.9483 ( 2429 PWs) bands (ev): -7.6791 -7.6791 -3.3357 -3.3357 -2.9630 -2.9630 -2.0151 -2.0151 -0.9298 -0.9298 1.2997 1.2997 2.1745 2.1745 2.3791 2.3791 4.1110 4.1110 4.8019 4.8019 5.7043 5.7043 8.3521 8.3521 8.9118 8.9118 10.3613 10.3613 10.8533 10.8533 12.3136 12.3136 12.3722 12.3722 13.2355 13.2355 k = 0.0000 0.0000 0.9307 ( 2429 PWs) bands (ev): -7.7012 -7.7012 -3.3561 -3.3561 -2.9842 -2.9842 -1.9753 -1.9753 -0.9486 -0.9486 1.2852 1.2852 2.2115 2.2115 2.4170 2.4170 4.0974 4.0974 4.8356 4.8356 5.6904 5.6904 8.3409 8.3409 8.9439 8.9439 10.3494 10.3494 10.8441 10.8441 12.3455 12.3455 12.3617 12.3617 13.2663 13.2663 k = 0.0000 0.0000 0.9132 ( 2427 PWs) bands (ev): -7.7290 -7.7290 -3.3819 -3.3819 -3.0110 -3.0110 -1.9246 -1.9246 -0.9724 -0.9724 1.2669 1.2669 2.2587 2.2587 2.4652 2.4652 4.0800 4.0800 4.8785 4.8785 5.6728 5.6728 8.3267 8.3267 8.9848 8.9848 10.3344 10.3344 10.8323 10.8323 12.3476 12.3476 12.3871 12.3871 13.3057 13.3057 k = 0.0000 0.0000 0.8956 ( 2427 PWs) bands (ev): -7.7624 -7.7624 -3.4127 -3.4127 -3.0431 -3.0431 -1.8635 -1.8635 -1.0009 -1.0009 1.2447 1.2447 2.3157 2.3157 2.5235 2.5235 4.0591 4.0591 4.9303 4.9303 5.6517 5.6517 8.3095 8.3095 9.0346 9.0346 10.3162 10.3162 10.8181 10.8181 12.3311 12.3311 12.4370 12.4370 13.3534 13.3534 k = 0.0000 0.0000 0.8780 ( 2435 PWs) bands (ev): -7.8008 -7.8008 -3.4483 -3.4483 -3.0801 -3.0801 -1.7922 -1.7922 -1.0339 -1.0339 1.2190 1.2190 2.3821 2.3821 2.5913 2.5913 4.0347 4.0347 4.9908 4.9908 5.6271 5.6271 8.2896 8.2896 9.0929 9.0929 10.2951 10.2951 10.8015 10.8015 12.3119 12.3119 12.4957 12.4957 13.4093 13.4093 k = 0.0000 0.0000 0.8605 ( 2435 PWs) bands (ev): -7.8439 -7.8439 -3.4882 -3.4882 -3.1215 -3.1215 -1.7112 -1.7112 -1.0710 -1.0710 1.1899 1.1899 2.4576 2.4576 2.6683 2.6683 4.0072 4.0072 5.0595 5.0595 5.5993 5.5993 8.2669 8.2669 9.1595 9.1595 10.2713 10.2713 10.7827 10.7827 12.2901 12.2901 12.5629 12.5629 13.4727 13.4727 k = 0.0000 0.0000 0.8429 ( 2441 PWs) bands (ev): -7.8912 -7.8912 -3.5321 -3.5321 -3.1670 -3.1670 -1.6210 -1.6210 -1.1119 -1.1119 1.1576 1.1576 2.5417 2.5417 2.7541 2.7541 3.9766 3.9766 5.1359 5.1359 5.5686 5.5686 8.2417 8.2417 9.2343 9.2343 10.2449 10.2449 10.7616 10.7616 12.2658 12.2658 12.6384 12.6384 13.5395 13.5395 k = 0.0000 0.0000 0.8254 ( 2449 PWs) bands (ev): -7.9423 -7.9423 -3.5794 -3.5794 -3.2160 -3.2160 -1.5221 -1.5221 -1.1562 -1.1562 1.1224 1.1224 2.6341 2.6341 2.8482 2.8482 3.9432 3.9432 5.2197 5.2197 5.5352 5.5352 8.2141 8.2141 9.3169 9.3169 10.2162 10.2162 10.7386 10.7386 12.2392 12.2392 12.7220 12.7220 13.5514 13.5514 k = 0.0000 0.0000 0.8078 ( 2445 PWs) bands (ev): -7.9967 -7.9967 -3.6300 -3.6300 -3.2683 -3.2683 -1.4148 -1.4148 -1.2035 -1.2035 1.0845 1.0845 2.7342 2.7342 2.9500 2.9500 3.9072 3.9072 5.3097 5.3097 5.5001 5.5001 8.1844 8.1844 9.4070 9.4070 10.1853 10.1853 10.7136 10.7136 12.2104 12.2104 12.8135 12.8135 13.5318 13.5318 k = 0.0000 0.0000 0.7902 ( 2445 PWs) bands (ev): -8.0539 -8.0539 -3.6832 -3.6832 -3.3233 -3.3233 -1.2996 -1.2996 -1.2535 -1.2535 1.0442 1.0442 2.8418 2.8418 3.0593 3.0593 3.8689 3.8689 5.4008 5.4008 5.4682 5.4682 8.1526 8.1526 9.5045 9.5045 10.1526 10.1526 10.6868 10.6868 12.1797 12.1797 12.9126 12.9126 13.5090 13.5090 k = 0.0000 0.0000 0.7727 ( 2447 PWs) bands (ev): -8.1137 -8.1137 -3.7388 -3.7388 -3.3806 -3.3806 -1.3058 -1.3058 -1.1771 -1.1771 1.0017 1.0017 2.9562 2.9562 3.1755 3.1755 3.8285 3.8285 5.4119 5.4119 5.5204 5.5204 8.1190 8.1190 9.6091 9.6091 10.1182 10.1182 10.6584 10.6584 12.1471 12.1471 13.0191 13.0191 13.4846 13.4846 k = 0.0000 0.0000 0.7551 ( 2443 PWs) bands (ev): -8.1755 -8.1755 -3.7964 -3.7964 -3.4399 -3.4399 -1.3601 -1.3601 -1.0476 -1.0476 0.9573 0.9573 3.0773 3.0773 3.2982 3.2982 3.7863 3.7863 5.3724 5.3724 5.6272 5.6272 8.0838 8.0838 9.7203 9.7203 10.0825 10.0825 10.6285 10.6285 12.1129 12.1129 13.1327 13.1327 13.4588 13.4588 k = 0.0000 0.0000 0.7376 ( 2439 PWs) bands (ev): -8.2390 -8.2390 -3.8555 -3.8555 -3.5008 -3.5008 -1.4161 -1.4161 -0.9115 -0.9115 0.9113 0.9113 3.2044 3.2044 3.4269 3.4269 3.7426 3.7426 5.3290 5.3290 5.7417 5.7417 8.0471 8.0471 9.8381 9.8381 10.0456 10.0456 10.5973 10.5973 12.0773 12.0773 13.2532 13.2532 13.4318 13.4318 k = 0.0000 0.0000 0.7200 ( 2443 PWs) bands (ev): -8.3038 -8.3038 -3.9160 -3.9160 -3.5629 -3.5629 -1.4734 -1.4734 -0.7692 -0.7692 0.8639 0.8639 3.3373 3.3373 3.5609 3.5609 3.6981 3.6981 5.2837 5.2837 5.8616 5.8616 8.0091 8.0091 9.9618 9.9618 10.0080 10.0080 10.5649 10.5649 12.0403 12.0403 13.3798 13.3798 13.4043 13.4043 k = 0.0000 0.0000 0.7024 ( 2439 PWs) bands (ev): -8.3696 -8.3696 -3.9774 -3.9774 -3.6260 -3.6260 -1.5318 -1.5318 -0.6212 -0.6212 0.8153 0.8153 3.4751 3.4751 3.6473 3.6473 3.7057 3.7057 5.2371 5.2371 5.9863 5.9863 7.9700 7.9700 9.9694 9.9694 10.0919 10.0919 10.5315 10.5315 12.0022 12.0022 13.3744 13.3744 13.5143 13.5143 k = 0.0000 0.0000 0.6849 ( 2437 PWs) bands (ev): -8.4361 -8.4361 -4.0396 -4.0396 -3.6897 -3.6897 -1.5910 -1.5910 -0.4677 -0.4677 0.7660 0.7660 3.5922 3.5922 3.6289 3.6289 3.8482 3.8482 5.1895 5.1895 6.1152 6.1152 7.9300 7.9300 9.9309 9.9309 10.2271 10.2271 10.4973 10.4973 11.9632 11.9632 13.3446 13.3446 13.6540 13.6540 k = 0.0000 0.0000 0.6673 ( 2437 PWs) bands (ev): -8.5030 -8.5030 -4.1021 -4.1021 -3.7538 -3.7538 -1.6508 -1.6508 -0.3094 -0.3094 0.7161 0.7161 3.5516 3.5516 3.7698 3.7698 3.9976 3.9976 5.1413 5.1413 6.2479 6.2479 7.8892 7.8892 9.8923 9.8923 10.3667 10.3667 10.4633 10.4633 11.9234 11.9234 13.3141 13.3141 13.7996 13.7996 k = 0.0000 0.0000 0.6498 ( 2437 PWs) bands (ev): -8.5701 -8.5701 -4.1649 -4.1649 -3.8180 -3.8180 -1.7108 -1.7108 -0.1466 -0.1466 0.6663 0.6663 3.5032 3.5032 3.9224 3.9224 4.1515 4.1515 5.0927 5.0927 6.3839 6.3839 7.8479 7.8479 9.8541 9.8541 10.4235 10.4235 10.5168 10.5168 11.8830 11.8830 13.2831 13.2831 13.9508 13.9508 k = 0.0000 0.0000 0.6322 ( 2441 PWs) bands (ev): -8.6371 -8.6371 -4.2276 -4.2276 -3.8821 -3.8821 -1.7709 -1.7709 0.0196 0.0196 0.6173 0.6173 3.4539 3.4539 4.0795 4.0795 4.3091 4.3091 5.0443 5.0443 6.5227 6.5227 7.8062 7.8062 9.8165 9.8165 10.3885 10.3885 10.6663 10.6663 11.8421 11.8421 13.2516 13.2516 14.1071 14.1071 k = 0.0000 0.0000 0.6146 ( 2441 PWs) bands (ev): -8.7038 -8.7038 -4.2901 -4.2901 -3.9459 -3.9459 -1.8309 -1.8309 0.1868 0.1868 0.5715 0.5715 3.4043 3.4043 4.2408 4.2408 4.4697 4.4697 4.9967 4.9967 6.6639 6.6639 7.7642 7.7642 9.7800 9.7800 10.3521 10.3521 10.8216 10.8216 11.8008 11.8008 13.2197 13.2197 14.2678 14.2678 k = 0.0000 0.0000 0.5971 ( 2451 PWs) bands (ev): -8.7700 -8.7700 -4.3522 -4.3522 -4.0093 -4.0093 -1.8906 -1.8906 0.3426 0.3426 0.5413 0.5413 3.3546 3.3546 4.4057 4.4057 4.6306 4.6306 4.9526 4.9526 6.8068 6.8068 7.7221 7.7221 9.7449 9.7449 10.3153 10.3153 10.9813 10.9813 11.7594 11.7594 13.1876 13.1876 14.4310 14.4310 k = 0.0000 0.0000 0.5795 ( 2451 PWs) bands (ev): -8.8355 -8.8355 -4.4136 -4.4136 -4.0720 -4.0720 -1.9499 -1.9499 0.4102 0.4102 0.6036 0.6036 3.3049 3.3049 4.5742 4.5742 4.7757 4.7757 4.9278 4.9278 6.9510 6.9510 7.6801 7.6801 9.7118 9.7118 10.2783 10.2783 11.1452 11.1452 11.7180 11.7180 13.1554 13.1554 14.5869 14.5869 k = 0.0000 0.0000 0.5620 ( 2457 PWs) bands (ev): -8.9003 -8.9003 -4.4743 -4.4743 -4.1339 -4.1339 -2.0085 -2.0085 0.3821 0.3821 0.7654 0.7654 3.2555 3.2555 4.7459 4.7459 4.8133 4.8133 5.0142 5.0142 7.0956 7.0956 7.6384 7.6384 9.6812 9.6812 10.2413 10.2413 11.3129 11.3129 11.6767 11.6767 13.1232 13.1232 14.6611 14.6611 k = 0.0000 0.0000 0.5444 ( 2457 PWs) bands (ev): -8.9640 -8.9640 -4.5341 -4.5341 -4.1948 -4.1948 -2.0663 -2.0663 0.3375 0.3375 0.9478 0.9478 3.2065 3.2065 4.7776 4.7776 4.9210 4.9210 5.1769 5.1769 7.2397 7.2397 7.5971 7.5971 9.6537 9.6537 10.2045 10.2045 11.4839 11.4839 11.6360 11.6360 13.0910 13.0910 14.6363 14.6363 k = 0.0000 0.0000 0.5268 ( 2453 PWs) bands (ev): -9.0266 -9.0266 -4.5929 -4.5929 -4.2546 -4.2546 -2.1232 -2.1232 0.2899 0.2899 1.1372 1.1372 3.1579 3.1579 4.7332 4.7332 5.0985 5.0985 5.3521 5.3521 7.3816 7.3816 7.5574 7.5574 9.6302 9.6302 10.1679 10.1679 11.5922 11.5922 11.6615 11.6615 13.0590 13.0590 14.5960 14.5960 k = 0.0000 0.0000 0.5093 ( 2455 PWs) bands (ev): -9.0880 -9.0880 -4.6506 -4.6506 -4.3133 -4.3133 -2.1791 -2.1791 0.2416 0.2416 1.3311 1.3311 3.1101 3.1101 4.6872 4.6872 5.2787 5.2787 5.5321 5.5321 7.4958 7.4958 7.5436 7.5436 9.6116 9.6116 10.1317 10.1317 11.5532 11.5532 11.8377 11.8377 13.0273 13.0273 14.5533 14.5533 k = 0.0000 0.0000 0.4917 ( 2459 PWs) bands (ev): -9.1480 -9.1480 -4.7070 -4.7070 -4.3707 -4.3707 -2.2338 -2.2338 0.1936 0.1936 1.5285 1.5285 3.0629 3.0629 4.6411 4.6411 5.4611 5.4611 5.7153 5.7153 7.4706 7.4706 7.6663 7.6663 9.5991 9.5991 10.0959 10.0959 11.5134 11.5134 12.0180 12.0180 12.9958 12.9958 14.5103 14.5103 k = 0.0000 0.0000 0.4741 ( 2463 PWs) bands (ev): -9.2066 -9.2066 -4.7621 -4.7621 -4.4266 -4.4266 -2.2873 -2.2873 0.1461 0.1461 1.7290 1.7290 3.0167 3.0167 4.5955 4.5955 5.6456 5.6456 5.9010 5.9010 7.4324 7.4324 7.7974 7.7974 9.5941 9.5941 10.0607 10.0607 11.4741 11.4741 12.2008 12.2008 12.9648 12.9648 14.4680 14.4680 k = 0.0000 0.0000 0.4566 ( 2461 PWs) bands (ev): -9.2637 -9.2637 -4.8157 -4.8157 -4.4811 -4.4811 -2.3395 -2.3395 0.0996 0.0996 1.9322 1.9322 2.9714 2.9714 4.5507 4.5507 5.8318 5.8318 6.0888 6.0888 7.3942 7.3942 7.9222 7.9222 9.5985 9.5985 10.0262 10.0262 11.4354 11.4354 12.3855 12.3855 12.9343 12.9343 14.4268 14.4268 k = 0.0000 0.0000 0.4390 ( 2461 PWs) bands (ev): -9.3191 -9.3191 -4.8678 -4.8678 -4.5340 -4.5340 -2.3902 -2.3902 0.0540 0.0540 2.1379 2.1379 2.9272 2.9272 4.5068 4.5068 6.0196 6.0196 6.2784 6.2784 7.3568 7.3568 8.0380 8.0380 9.6140 9.6140 9.9924 9.9924 11.3975 11.3975 12.5715 12.5715 12.9044 12.9044 14.3870 14.3870 k = 0.0000 0.0000 0.4215 ( 2461 PWs) bands (ev): -9.3728 -9.3728 -4.9183 -4.9183 -4.5853 -4.5853 -2.4394 -2.4394 0.0095 0.0095 2.3458 2.3458 2.8842 2.8842 4.4640 4.4640 6.2084 6.2084 6.4695 6.4695 7.3204 7.3204 8.1424 8.1424 9.6428 9.6428 9.9595 9.9595 11.3603 11.3603 12.7579 12.7579 12.8756 12.8756 14.3490 14.3490 k = 0.0000 0.0000 0.4039 ( 2461 PWs) bands (ev): -9.4248 -9.4248 -4.9672 -4.9672 -4.6349 -4.6349 -2.4871 -2.4871 -0.0337 -0.0337 2.5555 2.5555 2.8426 2.8426 4.4224 4.4224 6.3981 6.3981 6.6618 6.6618 7.2853 7.2853 8.2332 8.2332 9.6866 9.6866 9.9275 9.9275 11.3241 11.3241 12.8449 12.8449 12.9466 12.9466 14.3134 14.3134 k = 0.0000 0.0000 0.3863 ( 2453 PWs) bands (ev): -9.4749 -9.4749 -5.0143 -5.0143 -4.6827 -4.6827 -2.5331 -2.5331 -0.0755 -0.0755 2.7640 2.7640 2.8053 2.8053 4.3821 4.3821 6.5878 6.5878 6.8550 6.8550 7.2517 7.2517 8.3093 8.3093 9.7464 9.7464 9.8966 9.8966 11.2888 11.2888 12.8177 12.8177 13.1312 13.1312 14.2810 14.2810 k = 0.0000 0.0000 0.3688 ( 2459 PWs) bands (ev): -9.5231 -9.5231 -5.0597 -5.0597 -4.7287 -4.7287 -2.5774 -2.5774 -0.1160 -0.1160 2.7618 2.7618 2.9814 2.9814 4.3431 4.3431 6.7766 6.7766 7.0486 7.0486 7.2207 7.2207 8.3701 8.3701 9.8220 9.8220 9.8672 9.8672 11.2546 11.2546 12.7906 12.7906 13.3126 13.3126 14.2532 14.2532 k = 0.0000 0.0000 0.3512 ( 2463 PWs) bands (ev): -9.5694 -9.5694 -5.1033 -5.1033 -4.7729 -4.7729 -2.6200 -2.6200 -0.1549 -0.1549 2.7244 2.7244 3.1953 3.1953 4.3056 4.3056 6.9603 6.9603 7.1949 7.1949 7.2433 7.2433 8.4165 8.4165 9.8373 9.8373 9.9143 9.9143 11.2213 11.2213 12.7643 12.7643 13.4865 13.4865 14.2325 14.2325 k = 0.0000 0.0000 0.3337 ( 2463 PWs) bands (ev): -9.6136 -9.6136 -5.1449 -5.1449 -4.8151 -4.8151 -2.6608 -2.6608 -0.1924 -0.1924 2.6883 2.6883 3.4102 3.4102 4.2695 4.2695 7.0990 7.0990 7.2162 7.2162 7.4365 7.4365 8.4499 8.4499 9.8102 9.8102 10.0183 10.0183 11.1892 11.1892 12.7388 12.7388 13.6455 13.6455 14.2240 14.2240 k = 0.0000 0.0000 0.3161 ( 2459 PWs) bands (ev): -9.6558 -9.6558 -5.1847 -5.1847 -4.8554 -4.8554 -2.6997 -2.6997 -0.2282 -0.2282 2.6537 2.6537 3.6256 3.6256 4.2350 4.2350 7.1056 7.1056 7.3696 7.3696 7.6296 7.6296 8.4726 8.4726 9.7842 9.7842 10.1331 10.1331 11.1581 11.1581 12.7143 12.7143 13.7758 13.7758 14.2366 14.2366 k = 0.0000 0.0000 0.2985 ( 2459 PWs) bands (ev): -9.6960 -9.6960 -5.2225 -5.2225 -4.8937 -4.8937 -2.7367 -2.7367 -0.2623 -0.2623 2.6207 2.6207 3.8410 3.8410 4.2021 4.2021 7.0831 7.0831 7.5516 7.5516 7.8216 7.8216 8.4866 8.4866 9.7596 9.7596 10.2560 10.2560 11.1282 11.1282 12.6907 12.6907 13.8607 13.8607 14.2757 14.2757 k = 0.0000 0.0000 0.2810 ( 2459 PWs) bands (ev): -9.7340 -9.7340 -5.2583 -5.2583 -4.9299 -4.9299 -2.7718 -2.7718 -0.2947 -0.2947 2.5894 2.5894 4.0559 4.0559 4.1709 4.1709 7.0582 7.0582 7.7353 7.7353 8.0120 8.0120 8.4939 8.4939 9.7366 9.7366 10.3844 10.3844 11.0994 11.0994 12.6680 12.6680 13.8981 13.8981 14.3133 14.3133 k = 0.0000 0.0000 0.2634 ( 2459 PWs) bands (ev): -9.7698 -9.7698 -5.2920 -5.2920 -4.9641 -4.9641 -2.8049 -2.8049 -0.3254 -0.3254 2.5597 2.5597 4.1413 4.1413 4.2699 4.2699 7.0337 7.0337 7.9170 7.9170 8.2001 8.2001 8.4963 8.4963 9.7154 9.7154 10.5162 10.5162 11.0717 11.0717 12.6464 12.6464 13.9049 13.9049 14.2736 14.2736 k = 0.0000 0.0000 0.2459 ( 2459 PWs) bands (ev): -9.8035 -9.8035 -5.3238 -5.3238 -4.9962 -4.9962 -2.8361 -2.8361 -0.3542 -0.3542 2.5318 2.5318 4.1136 4.1136 4.4820 4.4820 7.0102 7.0102 8.0953 8.0953 8.3852 8.3852 8.4955 8.4955 9.6960 9.6960 10.6493 10.6493 11.0452 11.0452 12.6258 12.6258 13.8947 13.8947 14.1259 14.1259 k = 0.0000 0.0000 0.2283 ( 2463 PWs) bands (ev): -9.8350 -9.8350 -5.3534 -5.3534 -5.0262 -5.0262 -2.8652 -2.8652 -0.3812 -0.3812 2.5057 2.5057 4.0875 4.0875 4.6917 4.6917 6.9880 6.9880 8.2684 8.2684 8.4914 8.4914 8.5681 8.5681 9.6788 9.6788 10.7819 10.7819 11.0197 11.0197 12.6062 12.6062 13.8534 13.8534 13.9433 13.9433 k = 0.0000 0.0000 0.2107 ( 2467 PWs) bands (ev): -9.8642 -9.8642 -5.3809 -5.3809 -5.0541 -5.0541 -2.8922 -2.8922 -0.4064 -0.4064 2.4814 2.4814 4.0633 4.0633 4.8981 4.8981 6.9673 6.9673 8.4292 8.4292 8.4936 8.4936 8.7449 8.7449 9.6641 9.6641 10.9126 10.9126 10.9954 10.9954 12.5876 12.5876 13.6660 13.6660 13.8843 13.8843 k = 0.0000 0.0000 0.1932 ( 2467 PWs) bands (ev): -9.8911 -9.8911 -5.4063 -5.4063 -5.0798 -5.0798 -2.9172 -2.9172 -0.4296 -0.4296 2.4589 2.4589 4.0409 4.0409 5.0999 5.0999 6.9480 6.9480 8.4724 8.4724 8.6045 8.6045 8.9168 8.9168 9.6522 9.6522 10.9718 10.9718 11.0401 11.0401 12.5701 12.5701 13.4364 13.4364 13.8633 13.8633 k = 0.0000 0.0000 0.1756 ( 2463 PWs) bands (ev): -9.9158 -9.9158 -5.4296 -5.4296 -5.1033 -5.1033 -2.9400 -2.9400 -0.4509 -0.4509 2.4383 2.4383 4.0204 4.0204 5.2960 5.2960 6.9303 6.9303 8.4673 8.4673 8.7541 8.7541 9.0823 9.0823 9.6439 9.6439 10.9493 10.9493 11.1625 11.1625 12.5536 12.5536 13.2072 13.2072 13.8456 13.8456 k = 0.0000 0.0000 0.1580 ( 2459 PWs) bands (ev): -9.9382 -9.9382 -5.4507 -5.4507 -5.1247 -5.1247 -2.9607 -2.9607 -0.4703 -0.4703 2.4195 2.4195 4.0018 4.0018 5.4848 5.4848 6.9141 6.9141 8.4603 8.4603 8.8941 8.8941 9.2402 9.2402 9.6401 9.6401 10.9277 10.9277 11.2789 11.2789 12.5380 12.5380 12.9852 12.9852 13.8296 13.8296 k = 0.0000 0.0000 0.1405 ( 2463 PWs) bands (ev): -9.9583 -9.9583 -5.4696 -5.4696 -5.1438 -5.1438 -2.9793 -2.9793 -0.4876 -0.4876 2.4027 2.4027 3.9851 3.9851 5.6645 5.6645 6.8996 6.8996 8.4531 8.4531 9.0203 9.0203 9.3892 9.3892 9.6423 9.6423 10.9069 10.9069 11.3879 11.3879 12.5235 12.5235 12.7740 12.7740 13.8149 13.8149 k = 0.0000 0.0000 0.1229 ( 2463 PWs) bands (ev): -9.9760 -9.9760 -5.4863 -5.4863 -5.1607 -5.1607 -2.9958 -2.9958 -0.5030 -0.5030 2.3878 2.3878 3.9703 3.9703 5.8330 5.8330 6.8868 6.8868 8.4462 8.4462 9.1292 9.1292 9.5278 9.5278 9.6522 9.6522 10.8868 10.8868 11.4884 11.4884 12.5097 12.5097 12.5771 12.5771 13.8018 13.8018 k = 0.0000 0.0000 0.1054 ( 2463 PWs) bands (ev): -9.9914 -9.9914 -5.5008 -5.5008 -5.1754 -5.1754 -3.0101 -3.0101 -0.5163 -0.5163 2.3749 2.3749 3.9574 3.9574 5.9878 5.9878 6.8757 6.8757 8.4398 8.4398 9.2173 9.2173 9.6542 9.6542 9.6720 9.6720 10.8675 10.8675 11.5790 11.5790 12.3958 12.3958 12.4981 12.4981 13.7903 13.7903 k = 0.0000 0.0000 0.0878 ( 2467 PWs) bands (ev): -10.0045 -10.0045 -5.5131 -5.5131 -5.1878 -5.1878 -3.0222 -3.0222 -0.5277 -0.5277 2.3639 2.3639 3.9465 3.9465 6.1263 6.1263 6.8662 6.8662 8.4342 8.4342 9.2827 9.2827 9.7009 9.7009 9.7675 9.7675 10.8491 10.8491 11.6587 11.6587 12.2355 12.2355 12.4867 12.4867 13.7804 13.7804 k = 0.0000 0.0000 0.0702 ( 2471 PWs) bands (ev): -10.0151 -10.0151 -5.5232 -5.5232 -5.1980 -5.1980 -3.0321 -3.0321 -0.5369 -0.5369 2.3550 2.3550 3.9376 3.9376 6.2455 6.2455 6.8585 6.8585 8.4294 8.4294 9.3270 9.3270 9.7369 9.7369 9.8647 9.8647 10.8320 10.8320 11.7261 11.7261 12.0981 12.0981 12.4768 12.4768 13.7722 13.7722 k = 0.0000 0.0000 0.0527 ( 2467 PWs) bands (ev): -10.0235 -10.0235 -5.5311 -5.5311 -5.2059 -5.2059 -3.0398 -3.0398 -0.5442 -0.5442 2.3480 2.3480 3.9306 3.9306 6.3423 6.3423 6.8525 6.8525 8.4256 8.4256 9.3547 9.3547 9.7735 9.7735 9.9440 9.9440 10.8169 10.8169 11.7802 11.7802 11.9869 11.9869 12.4684 12.4684 13.7659 13.7659 k = 0.0000 0.0000 0.0351 ( 2471 PWs) bands (ev): -10.0294 -10.0294 -5.5367 -5.5367 -5.2116 -5.2116 -3.0453 -3.0453 -0.5493 -0.5493 2.3430 2.3430 3.9256 3.9256 6.4139 6.4139 6.8482 6.8482 8.4229 8.4229 9.3708 9.3708 9.8044 9.8044 10.0031 10.0031 10.8047 10.8047 11.8198 11.8198 11.9050 11.9050 12.4621 12.4621 13.7613 13.7613 k = 0.0000 0.0000 0.0176 ( 2471 PWs) bands (ev): -10.0330 -10.0330 -5.5400 -5.5400 -5.2150 -5.2150 -3.0486 -3.0486 -0.5524 -0.5524 2.3400 2.3400 3.9226 3.9226 6.4580 6.4580 6.8456 6.8456 8.4212 8.4212 9.3791 9.3791 9.8248 9.8248 10.0397 10.0397 10.7967 10.7967 11.8440 11.8440 11.8547 11.8547 12.4580 12.4580 13.7585 13.7585 k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -10.0342 -10.0342 -5.5412 -5.5412 -5.2161 -5.2161 -3.0497 -3.0497 -0.5535 -0.5535 2.3390 2.3390 3.9216 3.9216 6.4728 6.4728 6.8448 6.8448 8.4206 8.4206 9.3816 9.3816 9.8318 9.8318 10.0521 10.0521 10.7938 10.7938 11.8377 11.8377 11.8522 11.8522 12.4567 12.4567 13.7576 13.7576 k = 0.0000 0.0000 0.0000 ( 2479 PWs) bands (ev): -10.0342 -10.0342 -5.5412 -5.5412 -5.2161 -5.2161 -3.0497 -3.0497 -0.5535 -0.5535 2.3390 2.3390 3.9216 3.9216 6.4728 6.4728 6.8448 6.8448 8.4206 8.4206 9.3816 9.3816 9.8318 9.8318 10.0521 10.0521 10.7938 10.7938 11.8377 11.8377 11.8522 11.8522 12.4567 12.4567 13.7576 13.7576 k =-0.0152 0.0089 0.0000 ( 2475 PWs) bands (ev): -10.0336 -10.0336 -5.5428 -5.5428 -5.2193 -5.2193 -3.0460 -3.0460 -0.5481 -0.5481 2.3359 2.3359 3.9261 3.9261 6.4732 6.4732 6.8160 6.8160 8.4485 8.4485 9.3847 9.3847 9.8308 9.8308 10.0507 10.0507 10.7760 10.7760 11.8396 11.8396 11.8542 11.8542 12.4546 12.4546 13.7727 13.7727 k =-0.0303 0.0178 0.0000 ( 2471 PWs) bands (ev): -10.0319 -10.0319 -5.5479 -5.5479 -5.2288 -5.2288 -3.0347 -3.0347 -0.5320 -0.5320 2.3268 2.3268 3.9395 3.9395 6.4744 6.4744 6.7354 6.7354 8.5259 8.5259 9.3944 9.3944 9.8276 9.8276 10.0462 10.0462 10.7238 10.7238 11.8448 11.8448 11.8603 11.8603 12.4484 12.4484 13.8167 13.8167 k =-0.0455 0.0267 0.0000 ( 2473 PWs) bands (ev): -10.0291 -10.0291 -5.5561 -5.5561 -5.2445 -5.2445 -3.0161 -3.0161 -0.5054 -0.5054 2.3121 2.3121 3.9613 3.9613 6.4762 6.4762 6.6158 6.6158 8.6386 8.6386 9.4124 9.4124 9.8224 9.8224 10.0389 10.0389 10.6415 10.6415 11.8523 11.8523 11.8703 11.8703 12.4382 12.4382 13.8860 13.8860 k =-0.0606 0.0355 0.0000 ( 2473 PWs) bands (ev): -10.0252 -10.0252 -5.5675 -5.5675 -5.2661 -5.2661 -2.9903 -2.9903 -0.4686 -0.4686 2.2925 2.2925 3.9908 3.9908 6.4624 6.4624 6.4863 6.4863 8.7703 8.7703 9.4419 9.4419 9.8153 9.8153 10.0288 10.0288 10.5341 10.5341 11.8611 11.8611 11.8842 11.8842 12.4242 12.4242 13.9755 13.9755 k =-0.0758 0.0444 0.0000 ( 2467 PWs) bands (ev): -10.0202 -10.0202 -5.5816 -5.5816 -5.2932 -5.2932 -2.9577 -2.9577 -0.4219 -0.4219 2.2685 2.2685 4.0271 4.0271 6.3046 6.3046 6.4844 6.4844 8.9052 8.9052 9.4891 9.4891 9.8065 9.8065 10.0160 10.0160 10.4072 10.4072 11.8704 11.8704 11.9017 11.9017 12.4066 12.4066 14.0787 14.0787 k =-0.0909 0.0533 0.0000 ( 2467 PWs) bands (ev): -10.0141 -10.0141 -5.5982 -5.5982 -5.3253 -5.3253 -2.9185 -2.9185 -0.3658 -0.3658 2.2411 2.2411 4.0693 4.0693 6.1308 6.1308 6.4887 6.4887 9.0276 9.0276 9.5628 9.5628 9.7965 9.7965 10.0006 10.0006 10.2654 10.2654 11.8799 11.8799 11.9227 11.9227 12.3858 12.3858 14.1885 14.1885 k =-0.1061 0.0622 0.0000 ( 2465 PWs) bands (ev): -10.0070 -10.0070 -5.6171 -5.6171 -5.3621 -5.3621 -2.8731 -2.8731 -0.3008 -0.3008 2.2111 2.2111 4.1162 4.1162 5.9504 5.9504 6.4940 6.4940 9.1249 9.1249 9.6698 9.6698 9.7868 9.7868 9.9829 9.9829 10.1128 10.1128 11.8892 11.8892 11.9468 11.9468 12.3621 12.3621 14.2962 14.2962 k =-0.1212 0.0711 0.0000 ( 2469 PWs) bands (ev): -9.9990 -9.9990 -5.6378 -5.6378 -5.4029 -5.4029 -2.8220 -2.8220 -0.2277 -0.2277 2.1791 2.1791 4.1669 4.1669 5.7661 5.7661 6.5001 6.5001 9.1950 9.1950 9.7589 9.7589 9.8270 9.8270 9.9532 9.9532 9.9633 9.9633 11.8985 11.8985 11.9739 11.9739 12.3363 12.3363 14.3901 14.3901 k =-0.1364 0.0800 0.0000 ( 2471 PWs) bands (ev): -9.9900 -9.9900 -5.6601 -5.6601 -5.4472 -5.4472 -2.7655 -2.7655 -0.1469 -0.1469 2.1461 2.1461 4.2203 4.2203 5.5798 5.5798 6.5069 6.5069 9.2452 9.2452 9.7512 9.7512 9.7872 9.7872 9.9392 9.9392 9.9915 9.9915 11.9077 11.9077 12.0037 12.0037 12.3088 12.3088 14.4541 14.4541 k =-0.1515 0.0888 0.0000 ( 2465 PWs) bands (ev): -9.9802 -9.9802 -5.6836 -5.6836 -5.4945 -5.4945 -2.7040 -2.7040 -0.0591 -0.0591 2.1128 2.1128 4.2751 4.2751 5.3930 5.3930 6.5143 6.5143 9.2833 9.2833 9.6207 9.6207 9.7367 9.7367 9.9164 9.9164 10.1715 10.1715 11.9170 11.9170 12.0358 12.0358 12.2807 12.2807 14.4706 14.4706 k =-0.1667 0.0977 0.0000 ( 2471 PWs) bands (ev): -9.9695 -9.9695 -5.7080 -5.7080 -5.5441 -5.5441 -2.6380 -2.6380 0.0349 0.0349 2.0797 2.0797 4.3303 4.3303 5.2066 5.2066 6.5224 6.5224 9.3128 9.3128 9.4556 9.4556 9.7208 9.7208 9.8911 9.8911 10.3604 10.3604 11.9262 11.9262 12.0699 12.0699 12.2532 12.2532 14.4326 14.4326 k =-0.1818 0.1066 0.0000 ( 2471 PWs) bands (ev): -9.9582 -9.9582 -5.7330 -5.7330 -5.5956 -5.5956 -2.5680 -2.5680 0.1344 0.1344 2.0476 2.0476 4.3848 4.3848 5.0213 5.0213 6.5309 6.5309 9.2744 9.2744 9.3563 9.3563 9.7042 9.7042 9.8644 9.8644 10.5512 10.5512 11.9354 11.9354 12.1056 12.1056 12.2280 12.2280 14.3500 14.3500 k =-0.1970 0.1155 0.0000 ( 2475 PWs) bands (ev): -9.9461 -9.9461 -5.7583 -5.7583 -5.6485 -5.6485 -2.4942 -2.4942 0.2386 0.2386 2.0171 2.0171 4.4371 4.4371 4.8380 4.8380 6.5400 6.5400 9.1170 9.1170 9.3771 9.3771 9.6871 9.6871 9.8365 9.8365 10.7391 10.7391 11.9446 11.9446 12.1428 12.1428 12.2077 12.2077 14.2379 14.2379 k =-0.2121 0.1244 0.0000 ( 2471 PWs) bands (ev): -9.9335 -9.9335 -5.7836 -5.7836 -5.7021 -5.7021 -2.4173 -2.4173 0.3467 0.3467 1.9890 1.9890 4.4854 4.4854 4.6579 4.6579 6.5495 6.5495 8.9583 8.9583 9.4028 9.4028 9.6699 9.6699 9.8079 9.8079 10.9188 10.9188 11.9538 11.9538 12.1807 12.1807 12.1962 12.1962 14.1077 14.1077 k =-0.2273 0.1333 0.0000 ( 2467 PWs) bands (ev): -9.9205 -9.9205 -5.8088 -5.8088 -5.7560 -5.7560 -2.3377 -2.3377 0.4575 0.4575 1.9641 1.9641 4.4718 4.4718 4.5378 4.5378 6.5593 6.5593 8.8048 8.8048 9.4289 9.4289 9.6527 9.6527 9.7787 9.7787 11.0836 11.0836 11.9629 11.9629 12.1982 12.1982 12.2203 12.2203 13.9666 13.9666 k =-0.2424 0.1422 0.0000 ( 2463 PWs) bands (ev): -9.9070 -9.9070 -5.8335 -5.8335 -5.8098 -5.8098 -2.2557 -2.2557 0.5699 0.5699 1.9433 1.9433 4.3009 4.3009 4.5723 4.5723 6.5694 6.5694 8.6583 8.6583 9.4554 9.4554 9.6356 9.6356 9.7491 9.7491 11.2249 11.2249 11.9718 11.9718 12.2233 12.2233 12.2597 12.2597 13.8192 13.8192 k =-0.2576 0.1510 0.0000 ( 2457 PWs) bands (ev): -9.8933 -9.8933 -5.8630 -5.8630 -5.8577 -5.8577 -2.1718 -2.1718 0.6824 0.6824 1.9279 1.9279 4.1299 4.1299 4.6030 4.6030 6.5797 6.5797 8.5204 8.5204 9.4822 9.4822 9.6188 9.6188 9.7196 9.7196 11.3334 11.3334 11.9804 11.9804 12.2789 12.2789 12.2998 12.2998 13.6687 13.6687 k =-0.2727 0.1599 0.0000 ( 2457 PWs) bands (ev): -9.8795 -9.8795 -5.9152 -5.9152 -5.8811 -5.8811 -2.0867 -2.0867 0.7930 0.7930 1.9196 1.9196 3.9627 3.9627 4.6250 4.6250 6.5900 6.5900 8.3926 8.3926 9.5093 9.5093 9.6025 9.6025 9.6903 9.6903 11.4038 11.4038 11.9885 11.9885 12.3367 12.3367 12.3732 12.3732 13.5176 13.5176 k =-0.2879 0.1688 0.0000 ( 2465 PWs) bands (ev): -9.8657 -9.8657 -5.9661 -5.9661 -5.9036 -5.9036 -2.0007 -2.0007 0.8992 0.8992 1.9206 1.9206 3.8002 3.8002 4.6365 4.6365 6.6004 6.6004 8.2761 8.2761 9.5365 9.5365 9.5867 9.5867 9.6614 9.6614 11.4391 11.4391 11.9960 11.9960 12.3758 12.3758 12.4973 12.4973 13.3680 13.3680 k =-0.3030 0.1777 0.0000 ( 2465 PWs) bands (ev): -9.8519 -9.8519 -6.0152 -6.0152 -5.9250 -5.9250 -1.9146 -1.9146 0.9980 0.9980 1.9337 1.9337 3.6429 3.6429 4.6362 4.6362 6.6106 6.6106 8.1723 8.1723 9.5634 9.5634 9.5720 9.5720 9.6334 9.6334 11.4479 11.4479 12.0025 12.0025 12.4135 12.4135 12.6452 12.6452 13.2215 13.2215 k =-0.3182 0.1866 0.0000 ( 2469 PWs) bands (ev): -9.8384 -9.8384 -6.0621 -6.0621 -5.9453 -5.9453 -1.8289 -1.8289 1.0858 1.0858 1.9621 1.9621 3.4914 3.4914 4.6228 4.6228 6.6207 6.6207 8.0819 8.0819 9.5571 9.5571 9.5901 9.5901 9.6077 9.6077 11.4391 11.4391 12.0078 12.0078 12.4498 12.4498 12.8071 12.8071 13.0799 13.0799 k =-0.3333 0.1955 0.0000 ( 2471 PWs) bands (ev): -9.8253 -9.8253 -6.1067 -6.1067 -5.9643 -5.9643 -1.7443 -1.7443 1.1594 1.1594 2.0087 2.0087 3.3464 3.3464 4.5955 4.5955 6.6304 6.6304 8.0054 8.0054 9.5437 9.5437 9.5790 9.5790 9.6199 9.6199 11.4195 11.4195 12.0114 12.0114 12.4847 12.4847 12.9435 12.9435 12.9766 12.9766 k =-0.3485 0.2043 0.0000 ( 2463 PWs) bands (ev): -9.8127 -9.8127 -6.1485 -6.1485 -5.9819 -5.9819 -1.6616 -1.6616 1.2170 1.2170 2.0747 2.0747 3.2087 3.2087 4.5540 4.5540 6.6398 6.6398 7.9428 7.9428 9.5311 9.5311 9.5548 9.5548 9.6462 9.6462 11.3936 11.3936 12.0129 12.0129 12.5176 12.5176 12.8175 12.8175 13.1451 13.1451 k =-0.3636 0.2132 0.0000 ( 2469 PWs) bands (ev): -9.8008 -9.8008 -6.1873 -6.1873 -5.9981 -5.9981 -1.5817 -1.5817 1.2590 1.2590 2.1593 2.1593 3.0791 3.0791 4.4986 4.4986 6.6486 6.6486 7.8935 7.8935 9.5196 9.5196 9.5319 9.5319 9.6721 9.6721 11.3645 11.3645 12.0115 12.0115 12.5483 12.5483 12.7006 12.7006 13.3116 13.3116 k =-0.3788 0.2221 0.0000 ( 2465 PWs) bands (ev): -9.7896 -9.7896 -6.2228 -6.2228 -6.0127 -6.0127 -1.5056 -1.5056 1.2878 1.2878 2.2596 2.2596 2.9586 2.9586 4.4300 4.4300 6.6568 6.6568 7.8565 7.8565 9.5091 9.5091 9.5109 9.5109 9.6969 9.6969 11.3343 11.3343 12.0063 12.0063 12.5753 12.5753 12.5971 12.5971 13.4720 13.4720 k =-0.3939 0.2310 0.0000 ( 2465 PWs) bands (ev): -9.7794 -9.7794 -6.2547 -6.2547 -6.0258 -6.0258 -1.4343 -1.4343 1.3064 1.3064 2.3715 2.3715 2.8482 2.8482 4.3496 4.3496 6.6643 6.6643 7.8303 7.8303 9.4917 9.4917 9.4997 9.4997 9.7203 9.7203 11.3045 11.3045 11.9963 11.9963 12.5043 12.5043 12.6030 12.6030 13.6234 13.6234 k =-0.4091 0.2399 0.0000 ( 2473 PWs) bands (ev): -9.7703 -9.7703 -6.2828 -6.2828 -6.0372 -6.0372 -1.3689 -1.3689 1.3179 1.3179 2.4910 2.4910 2.7492 2.7492 4.2592 4.2592 6.6710 6.6710 7.8130 7.8130 9.4748 9.4748 9.4915 9.4915 9.7418 9.7418 11.2764 11.2764 11.9810 11.9810 12.4296 12.4296 12.6257 12.6257 13.7631 13.7631 k =-0.4242 0.2488 0.0000 ( 2469 PWs) bands (ev): -9.7623 -9.7623 -6.3070 -6.3070 -6.0469 -6.0469 -1.3108 -1.3108 1.3246 1.3246 2.6126 2.6126 2.6641 2.6641 4.1614 4.1614 6.6769 6.6769 7.8028 7.8028 9.4602 9.4602 9.4845 9.4845 9.7611 9.7611 11.2509 11.2509 11.9604 11.9604 12.3715 12.3715 12.6454 12.6454 13.8884 13.8884 k =-0.4394 0.2577 0.0000 ( 2465 PWs) bands (ev): -9.7557 -9.7557 -6.3270 -6.3270 -6.0549 -6.0549 -1.2610 -1.2610 1.3283 1.3283 2.5881 2.5881 2.7384 2.7384 4.0596 4.0596 6.6818 6.6818 7.7976 7.7976 9.4481 9.4481 9.4787 9.4787 9.7776 9.7776 11.2288 11.2288 11.9365 11.9365 12.3294 12.3294 12.6618 12.6618 13.9964 13.9964 k =-0.4545 0.2665 0.0000 ( 2463 PWs) bands (ev): -9.7504 -9.7504 -6.3428 -6.3428 -6.0611 -6.0611 -1.2208 -1.2208 1.3301 1.3301 2.5301 2.5301 2.8553 2.8553 3.9589 3.9589 6.6857 6.6857 7.7957 7.7957 9.4385 9.4385 9.4742 9.4742 9.7909 9.7909 11.2109 11.2109 11.9126 11.9126 12.3009 12.3009 12.6747 12.6747 14.0843 14.0843 k =-0.4697 0.2754 0.0000 ( 2467 PWs) bands (ev): -9.7466 -9.7466 -6.3541 -6.3541 -6.0656 -6.0656 -1.1912 -1.1912 1.3309 1.3309 2.4876 2.4876 2.9584 2.9584 3.8673 3.8673 6.6885 6.6885 7.7955 7.7955 9.4316 9.4316 9.4710 9.4710 9.8007 9.8007 11.1976 11.1976 11.8923 11.8923 12.2831 12.2831 12.6840 12.6840 14.1494 14.1494 k =-0.4848 0.2843 0.0000 ( 2464 PWs) bands (ev): -9.7442 -9.7442 -6.3609 -6.3609 -6.0683 -6.0683 -1.1731 -1.1731 1.3312 1.3312 2.4617 2.4617 3.0337 3.0337 3.7988 3.7988 6.6902 6.6902 7.7959 7.7959 9.4275 9.4275 9.4690 9.4690 9.8068 9.8068 11.1895 11.1895 11.8789 11.8789 12.2735 12.2735 12.6897 12.6897 14.1895 14.1895 k =-0.5000 0.2932 0.0000 ( 2464 PWs) bands (ev): -9.7435 -9.7435 -6.3632 -6.3632 -6.0692 -6.0692 -1.1670 -1.1670 1.3313 1.3313 2.4530 2.4530 3.0624 3.0624 3.7725 3.7725 6.6907 6.6907 7.7961 7.7961 9.4261 9.4261 9.4684 9.4684 9.8088 9.8088 11.1868 11.1868 11.8742 11.8742 12.2704 12.2704 12.6915 12.6915 14.2031 14.2031 k =-0.5000 0.2932 0.0000 ( 2464 PWs) bands (ev): -9.7435 -9.7435 -6.3632 -6.3632 -6.0692 -6.0692 -1.1670 -1.1670 1.3313 1.3313 2.4530 2.4530 3.0624 3.0624 3.7725 3.7725 6.6907 6.6907 7.7961 7.7961 9.4261 9.4261 9.4684 9.4684 9.8088 9.8088 11.1868 11.1868 11.8742 11.8742 12.2704 12.2704 12.6915 12.6915 14.2031 14.2031 k =-0.4914 0.3079-0.0000 ( 2470 PWs) bands (ev): -9.7435 -9.7435 -6.3625 -6.3625 -6.0697 -6.0697 -1.1697 -1.1697 1.3342 1.3342 2.4480 2.4480 3.0663 3.0663 3.7775 3.7775 6.6907 6.6907 7.7969 7.7969 9.4265 9.4265 9.4683 9.4683 9.7986 9.7986 11.1798 11.1798 11.8774 11.8774 12.2734 12.2734 12.6906 12.6906 14.2006 14.2006 k =-0.4827 0.3226-0.0000 ( 2474 PWs) bands (ev): -9.7436 -9.7436 -6.3603 -6.3603 -6.0710 -6.0710 -1.1778 -1.1778 1.3429 1.3429 2.4333 2.4333 3.0780 3.0780 3.7922 3.7922 6.6906 6.6906 7.7995 7.7995 9.4279 9.4279 9.4680 9.4680 9.7684 9.7684 11.1592 11.1592 11.8865 11.8865 12.2825 12.2825 12.6879 12.6879 14.1933 14.1933 k =-0.4741 0.3374-0.0000 ( 2470 PWs) bands (ev): -9.7437 -9.7437 -6.3566 -6.3566 -6.0732 -6.0732 -1.1912 -1.1912 1.3573 1.3573 2.4096 2.4096 3.0973 3.0973 3.8161 3.8161 6.6904 6.6904 7.8039 7.8039 9.4302 9.4302 9.4675 9.4675 9.7193 9.7193 11.1252 11.1252 11.9005 11.9005 12.2979 12.2979 12.6834 12.6834 14.1812 14.1812 k =-0.4655 0.3521-0.0000 ( 2470 PWs) bands (ev): -9.7439 -9.7439 -6.3515 -6.3515 -6.0762 -6.0762 -1.2097 -1.2097 1.3773 1.3773 2.3777 2.3777 3.1241 3.1241 3.8482 3.8482 6.6900 6.6900 7.8098 7.8098 9.4334 9.4334 9.4669 9.4669 9.6532 9.6532 11.0787 11.0787 11.9179 11.9179 12.3199 12.3199 12.6772 12.6772 14.1645 14.1645 k =-0.4568 0.3668-0.0000 ( 2472 PWs) bands (ev): -9.7442 -9.7442 -6.3449 -6.3449 -6.0800 -6.0800 -1.2330 -1.2330 1.4027 1.4027 2.3390 2.3390 3.1580 3.1580 3.8873 3.8873 6.6896 6.6896 7.8172 7.8172 9.4376 9.4376 9.4661 9.4661 9.5719 9.5719 11.0205 11.0205 11.9370 11.9370 12.3488 12.3488 12.6692 12.6692 14.1433 14.1433 k =-0.4482 0.3815-0.0000 ( 2476 PWs) bands (ev): -9.7446 -9.7446 -6.3369 -6.3369 -6.0844 -6.0844 -1.2609 -1.2609 1.4333 1.4333 2.2947 2.2947 3.1988 3.1988 3.9324 3.9324 6.6891 6.6891 7.8261 7.8261 9.4425 9.4425 9.4647 9.4647 9.4783 9.4783 10.9518 10.9518 11.9565 11.9565 12.3846 12.3846 12.6595 12.6595 14.1179 14.1179 k =-0.4396 0.3963-0.0000 ( 2470 PWs) bands (ev): -9.7450 -9.7450 -6.3274 -6.3274 -6.0894 -6.0894 -1.2930 -1.2930 1.4686 1.4686 2.2459 2.2459 3.2460 3.2460 3.9824 3.9824 6.6885 6.6885 7.8361 7.8361 9.3725 9.3725 9.4486 9.4486 9.4644 9.4644 10.8740 10.8740 11.9752 11.9752 12.4274 12.4274 12.6483 12.6483 14.0884 14.0884 k =-0.4309 0.4110-0.0000 ( 2470 PWs) bands (ev): -9.7457 -9.7457 -6.3166 -6.3166 -6.0949 -6.0949 -1.3290 -1.3290 1.5081 1.5081 2.1941 2.1941 3.2991 3.2991 4.0363 4.0363 6.6877 6.6877 7.8471 7.8471 9.2587 9.2587 9.4553 9.4553 9.4634 9.4634 10.7883 10.7883 11.9924 11.9924 12.4768 12.4768 12.6355 12.6355 14.0551 14.0551 k =-0.4223 0.4257-0.0000 ( 2468 PWs) bands (ev): -9.7464 -9.7464 -6.3043 -6.3043 -6.1007 -6.1007 -1.3686 -1.3686 1.5510 1.5510 2.1405 2.1405 3.3579 3.3579 4.0934 4.0934 6.6868 6.6868 7.8588 7.8588 9.1378 9.1378 9.4624 9.4624 9.4630 9.4630 10.6963 10.6963 12.0080 12.0080 12.5323 12.5323 12.6212 12.6212 14.0182 14.0182 k =-0.4137 0.4404-0.0000 ( 2469 PWs) bands (ev): -9.7474 -9.7474 -6.2907 -6.2907 -6.1067 -6.1067 -1.4112 -1.4112 1.5956 1.5956 2.0872 2.0872 3.4216 3.4216 4.1531 4.1531 6.6858 6.6858 7.8708 7.8708 9.0116 9.0116 9.4616 9.4616 9.4713 9.4713 10.5995 10.5995 12.0217 12.0217 12.5933 12.5933 12.6055 12.6055 13.9778 13.9778 k =-0.4050 0.4551-0.0000 ( 2465 PWs) bands (ev): -9.7486 -9.7486 -6.2757 -6.2757 -6.1128 -6.1128 -1.4565 -1.4565 1.6392 1.6392 2.0374 2.0374 3.4900 3.4900 4.2146 4.2146 6.6845 6.6845 7.8827 7.8827 8.8815 8.8815 9.4608 9.4608 9.4805 9.4805 10.4996 10.4996 12.0337 12.0337 12.5885 12.5885 12.6595 12.6595 13.9341 13.9341 k =-0.3964 0.4699-0.0000 ( 2457 PWs) bands (ev): -9.7500 -9.7500 -6.2595 -6.2595 -6.1188 -6.1188 -1.5043 -1.5043 1.6755 1.6755 1.9972 1.9972 3.5623 3.5623 4.2777 4.2777 6.6831 6.6831 7.8939 7.8939 8.7489 8.7489 9.4603 9.4603 9.4905 9.4905 10.3982 10.3982 12.0441 12.0441 12.5703 12.5703 12.7302 12.7302 13.8873 13.8873 k =-0.3878 0.4846-0.0000 ( 2457 PWs) bands (ev): -9.7516 -9.7516 -6.2419 -6.2419 -6.1246 -6.1246 -1.5540 -1.5540 1.6933 1.6933 1.9781 1.9781 3.6382 3.6382 4.3417 4.3417 6.6814 6.6814 7.9037 7.9037 8.6150 8.6150 9.4600 9.4600 9.5013 9.5013 10.2971 10.2971 12.0530 12.0530 12.5510 12.5510 12.8052 12.8052 13.8376 13.8376 k =-0.3791 0.4993-0.0000 ( 2457 PWs) bands (ev): -9.7536 -9.7536 -6.2231 -6.2231 -6.1300 -6.1300 -1.6054 -1.6054 1.6817 1.6817 1.9908 1.9908 3.7170 3.7170 4.4065 4.4065 6.6795 6.6795 7.9113 7.9113 8.4810 8.4810 9.4599 9.4599 9.5127 9.5127 10.1981 10.1981 12.0605 12.0605 12.5306 12.5306 12.8840 12.8840 13.7851 13.7851 k =-0.3705 0.5140-0.0000 ( 2461 PWs) bands (ev): -9.7559 -9.7559 -6.2031 -6.2031 -6.1350 -6.1350 -1.6582 -1.6582 1.6441 1.6441 2.0316 2.0316 3.7983 3.7983 4.4716 4.4716 6.6774 6.6774 7.9158 7.9158 8.3480 8.3480 9.4603 9.4603 9.5247 9.5247 10.1032 10.1032 12.0667 12.0667 12.5094 12.5094 12.9665 12.9665 13.7299 13.7299 k =-0.3619 0.5288-0.0000 ( 2461 PWs) bands (ev): -9.7586 -9.7586 -6.1819 -6.1819 -6.1392 -6.1392 -1.7119 -1.7119 1.5917 1.5917 2.0894 2.0894 3.8814 3.8814 4.5369 4.5369 6.6750 6.6750 7.9162 7.9162 8.2170 8.2170 9.4611 9.4611 9.5373 9.5373 10.0142 10.0142 12.0718 12.0718 12.4874 12.4874 13.0522 13.0522 13.6722 13.6722 k =-0.3532 0.5435-0.0000 ( 2459 PWs) bands (ev): -9.7616 -9.7616 -6.1595 -6.1595 -6.1427 -6.1427 -1.7665 -1.7665 1.5316 1.5316 2.1564 2.1564 3.9659 3.9659 4.6021 4.6021 6.6724 6.6724 7.9111 7.9111 8.0893 8.0893 9.4623 9.4623 9.5505 9.5505 9.9332 9.9332 12.0757 12.0757 12.4646 12.4646 13.1409 13.1409 13.6121 13.6121 k =-0.3446 0.5582-0.0000 ( 2455 PWs) bands (ev): -9.7650 -9.7650 -6.1452 -6.1452 -6.1361 -6.1361 -1.8215 -1.8215 1.4675 1.4675 2.2287 2.2287 4.0512 4.0512 4.6669 4.6669 6.6694 6.6694 7.8987 7.8987 7.9669 7.9669 9.4640 9.4640 9.5640 9.5640 9.8622 9.8622 12.0786 12.0786 12.4413 12.4413 13.2324 13.2324 13.5497 13.5497 k =-0.3360 0.5729-0.0000 ( 2445 PWs) bands (ev): -9.7688 -9.7688 -6.1467 -6.1467 -6.1116 -6.1116 -1.8767 -1.8767 1.4013 1.4013 2.3038 2.3038 4.1366 4.1366 4.7311 4.7311 6.6662 6.6662 7.8415 7.8415 7.8870 7.8870 9.4664 9.4664 9.5778 9.5778 9.8031 9.8031 12.0805 12.0805 12.4175 12.4175 13.3262 13.3262 13.4852 13.4852 k =-0.3360 0.5729-0.0000 ( 2445 PWs) bands (ev): -9.7688 -9.7688 -6.1467 -6.1467 -6.1116 -6.1116 -1.8767 -1.8767 1.4013 1.4013 2.3038 2.3038 4.1366 4.1366 4.7311 4.7311 6.6662 6.6662 7.8415 7.8415 7.8870 7.8870 9.4664 9.4664 9.5778 9.5778 9.8031 9.8031 12.0805 12.0805 12.4175 12.4175 13.3262 13.3262 13.4852 13.4852 k =-0.3360 0.5729 0.0176 ( 2453 PWs) bands (ev): -9.7677 -9.7677 -6.1456 -6.1456 -6.1105 -6.1105 -1.8756 -1.8756 1.4022 1.4022 2.3048 2.3048 4.1375 4.1375 4.7321 4.7321 6.6516 6.6516 7.8420 7.8420 7.8874 7.8874 9.4555 9.4555 9.5672 9.5672 9.8040 9.8040 12.0967 12.0967 12.4090 12.4090 13.3283 13.3283 13.4873 13.4873 k =-0.3360 0.5729 0.0351 ( 2448 PWs) bands (ev): -9.7641 -9.7641 -6.1422 -6.1422 -6.1071 -6.1071 -1.8722 -1.8722 1.4051 1.4051 2.3079 2.3079 4.1403 4.1403 4.7348 4.7348 6.6082 6.6082 7.8438 7.8438 7.8887 7.8887 9.4232 9.4232 9.5358 9.5358 9.8065 9.8065 12.1450 12.1450 12.3836 12.3836 13.3345 13.3345 13.4933 13.4933 k =-0.3360 0.5729 0.0527 ( 2456 PWs) bands (ev): -9.7581 -9.7581 -6.1366 -6.1366 -6.1015 -6.1015 -1.8665 -1.8665 1.4100 1.4100 2.3129 2.3129 4.1449 4.1449 4.7394 4.7394 6.5378 6.5378 7.8466 7.8466 7.8906 7.8906 9.3703 9.3703 9.4845 9.4845 9.8107 9.8107 12.2233 12.2233 12.3421 12.3421 13.3449 13.3449 13.5028 13.5028 k =-0.3360 0.5729 0.0702 ( 2456 PWs) bands (ev): -9.7498 -9.7498 -6.1288 -6.1288 -6.0937 -6.0937 -1.8586 -1.8586 1.4167 1.4167 2.3200 2.3200 4.1514 4.1514 4.7457 4.7457 6.4424 6.4424 7.8504 7.8504 7.8930 7.8930 9.2982 9.2982 9.4147 9.4147 9.8163 9.8163 12.2852 12.2852 12.3292 12.3292 13.3599 13.3599 13.5154 13.5154 k =-0.3360 0.5729 0.0878 ( 2463 PWs) bands (ev): -9.7391 -9.7391 -6.1187 -6.1187 -6.0836 -6.0836 -1.8484 -1.8484 1.4254 1.4254 2.3290 2.3290 4.1597 4.1597 4.7538 4.7538 6.3251 6.3251 7.8547 7.8547 7.8957 7.8957 9.2088 9.2088 9.3283 9.3283 9.8235 9.8235 12.2145 12.2145 12.4586 12.4586 13.3799 13.3799 13.5304 13.5304 k =-0.3360 0.5729 0.1054 ( 2463 PWs) bands (ev): -9.7260 -9.7260 -6.1064 -6.1064 -6.0713 -6.0713 -1.8359 -1.8359 1.4360 1.4360 2.3401 2.3401 4.1698 4.1698 4.7637 4.7637 6.1886 6.1886 7.8593 7.8593 7.8981 7.8981 9.1043 9.1043 9.2274 9.2274 9.8321 9.8321 12.1309 12.1309 12.6073 12.6073 13.4064 13.4064 13.5474 13.5474 k =-0.3360 0.5729 0.1229 ( 2467 PWs) bands (ev): -9.7105 -9.7105 -6.0919 -6.0919 -6.0567 -6.0567 -1.8212 -1.8212 1.4485 1.4485 2.3531 2.3531 4.1818 4.1818 4.7752 4.7752 6.0360 6.0360 7.8635 7.8635 7.8995 7.8995 8.9872 8.9872 9.1146 9.1146 9.8420 9.8420 12.0358 12.0358 12.7693 12.7693 13.4421 13.4421 13.5658 13.5658 k =-0.3360 0.5729 0.1405 ( 2459 PWs) bands (ev): -9.6927 -9.6927 -6.0751 -6.0751 -6.0400 -6.0400 -1.8043 -1.8043 1.4629 1.4629 2.3681 2.3681 4.1955 4.1955 4.7883 4.7883 5.8700 5.8700 7.8659 7.8659 7.8987 7.8987 8.8604 8.8604 8.9930 8.9930 9.8533 9.8533 11.9304 11.9304 12.9354 12.9354 13.4931 13.4931 13.5855 13.5855 k =-0.3360 0.5729 0.1580 ( 2459 PWs) bands (ev): -9.6726 -9.6726 -6.0562 -6.0562 -6.0210 -6.0210 -1.7851 -1.7851 1.4791 1.4791 2.3850 2.3850 4.2110 4.2110 4.8027 4.8027 5.6932 5.6932 7.8647 7.8647 7.8938 7.8938 8.7277 8.7277 8.8660 8.8660 9.8657 9.8657 11.8158 11.8158 13.0909 13.0909 13.5709 13.5709 13.6067 13.6067 k =-0.3360 0.5729 0.1756 ( 2465 PWs) bands (ev): -9.6502 -9.6502 -6.0351 -6.0351 -5.9999 -5.9999 -1.7637 -1.7637 1.4972 1.4972 2.4039 2.4039 4.2283 4.2283 4.8181 4.8181 5.5081 5.5081 7.8563 7.8563 7.8815 7.8815 8.5942 8.5942 8.7387 8.7387 9.8791 9.8791 11.6933 11.6933 13.2169 13.2169 13.6265 13.6265 13.6948 13.6948 k =-0.3360 0.5729 0.1932 ( 2465 PWs) bands (ev): -9.6254 -9.6254 -6.0118 -6.0118 -5.9766 -5.9766 -1.7402 -1.7402 1.5172 1.5172 2.4247 2.4247 4.2472 4.2472 4.8331 4.8331 5.3178 5.3178 7.8346 7.8346 7.8563 7.8563 8.4680 8.4680 8.6176 8.6176 9.8933 9.8933 11.5641 11.5641 13.3062 13.3062 13.6490 13.6490 13.8654 13.8654 k =-0.3360 0.5729 0.2107 ( 2467 PWs) bands (ev): -9.5984 -9.5984 -5.9864 -5.9864 -5.9512 -5.9512 -1.7144 -1.7144 1.5389 1.5389 2.4473 2.4473 4.2678 4.2678 4.8428 4.8428 5.1287 5.1287 7.7906 7.7906 7.8095 7.8095 8.3607 8.3607 8.5113 8.5113 9.9079 9.9079 11.4293 11.4293 13.3693 13.3693 13.6720 13.6720 14.0722 14.0722 k =-0.3360 0.5729 0.2283 ( 2469 PWs) bands (ev): -9.5691 -9.5691 -5.9589 -5.9589 -5.9236 -5.9236 -1.6865 -1.6865 1.5624 1.5624 2.4719 2.4719 4.2900 4.2900 4.8131 4.8131 4.9761 4.9761 7.7136 7.7136 7.7331 7.7331 8.2845 8.2845 8.4284 8.4284 9.9224 9.9224 11.2903 11.2903 13.4186 13.4186 13.6956 13.6956 14.3002 14.3002 k =-0.3360 0.5729 0.2459 ( 2471 PWs) bands (ev): -9.5375 -9.5375 -5.9293 -5.9293 -5.8939 -5.8939 -1.6565 -1.6565 1.5876 1.5876 2.4982 2.4982 4.3138 4.3138 4.6634 4.6634 4.9418 4.9418 7.5984 7.5984 7.6271 7.6271 8.2426 8.2426 8.3732 8.3732 9.9361 9.9361 11.1485 11.1485 13.4612 13.4612 13.7200 13.7200 14.5386 14.5386 k =-0.3360 0.5729 0.2634 ( 2471 PWs) bands (ev): -9.5037 -9.5037 -5.8976 -5.8976 -5.8622 -5.8622 -1.6243 -1.6243 1.6145 1.6145 2.5264 2.5264 4.3384 4.3384 4.4654 4.4654 4.9556 4.9556 7.4532 7.4532 7.4954 7.4954 8.2272 8.2272 8.3431 8.3431 9.9477 9.9477 11.0060 11.0060 13.5007 13.5007 13.7451 13.7451 14.7788 14.7788 k =-0.3360 0.5729 0.2810 ( 2469 PWs) bands (ev): -9.4678 -9.4678 -5.8638 -5.8638 -5.8284 -5.8284 -1.5900 -1.5900 1.6431 1.6431 2.5563 2.5563 4.2544 4.2544 4.3679 4.3679 4.9787 4.9787 7.2892 7.2892 7.3439 7.3439 8.2290 8.2290 8.3320 8.3320 9.9551 9.9551 10.8655 10.8655 13.5389 13.5389 13.7709 13.7709 15.0089 15.0089 k =-0.3360 0.5729 0.2985 ( 2471 PWs) bands (ev): -9.4296 -9.4296 -5.8280 -5.8280 -5.7925 -5.7925 -1.5537 -1.5537 1.6733 1.6733 2.5879 2.5879 4.0436 4.0436 4.3953 4.3953 5.0057 5.0057 7.1139 7.1139 7.1789 7.1789 8.2415 8.2415 8.3338 8.3338 9.9548 9.9548 10.7313 10.7313 13.5768 13.5768 13.7975 13.7975 15.2055 15.2055 k =-0.3360 0.5729 0.3161 ( 2468 PWs) bands (ev): -9.3894 -9.3894 -5.7902 -5.7902 -5.7547 -5.7547 -1.5154 -1.5154 1.7052 1.7052 2.6212 2.6212 3.8305 3.8305 4.4247 4.4247 5.0352 5.0352 6.9317 6.9317 7.0050 7.0050 8.2610 8.2610 8.3444 8.3444 9.9405 9.9405 10.6098 10.6098 13.6148 13.6148 13.8248 13.8248 15.3238 15.3238 k =-0.3360 0.5729 0.3337 ( 2469 PWs) bands (ev): -9.3470 -9.3470 -5.7505 -5.7505 -5.7150 -5.7150 -1.4750 -1.4750 1.7385 1.7385 2.6561 2.6561 3.6168 3.6168 4.4555 4.4555 5.0666 5.0666 6.7451 6.7451 6.8254 6.8254 8.2854 8.2854 8.3612 8.3612 9.9034 9.9034 10.5108 10.5108 13.6530 13.6530 13.8529 13.8529 15.3260 15.3260 k =-0.3360 0.5729 0.3512 ( 2471 PWs) bands (ev): -9.3026 -9.3026 -5.7089 -5.7089 -5.6733 -5.6733 -1.4328 -1.4328 1.7733 1.7733 2.6926 2.6926 3.4031 3.4031 4.4873 4.4873 5.0997 5.0997 6.5558 6.5558 6.6423 6.6423 8.3135 8.3135 8.3823 8.3823 9.8351 9.8351 10.4430 10.4430 13.6917 13.6917 13.8818 13.8818 15.2391 15.2391 k =-0.3360 0.5729 0.3688 ( 2471 PWs) bands (ev): -9.2562 -9.2562 -5.6654 -5.6654 -5.6298 -5.6298 -1.3885 -1.3885 1.8095 1.8095 2.7306 2.7306 3.1899 3.1899 4.5199 4.5199 5.1343 5.1343 6.3649 6.3649 6.4573 6.4573 8.3445 8.3445 8.4066 8.4066 9.7349 9.7349 10.4076 10.4076 13.7305 13.7305 13.9113 13.9113 15.1088 15.1088 k =-0.3360 0.5729 0.3863 ( 2473 PWs) bands (ev): -9.2078 -9.2078 -5.6201 -5.6201 -5.5844 -5.5844 -1.3425 -1.3425 1.8471 1.8471 2.7700 2.7700 2.9778 2.9778 4.5531 4.5531 5.1704 5.1704 6.1734 6.1734 6.2717 6.2717 8.3779 8.3779 8.4332 8.4332 9.6105 9.6105 10.3978 10.3978 13.7691 13.7691 13.9416 13.9416 14.9596 14.9596 k =-0.3360 0.5729 0.4039 ( 2469 PWs) bands (ev): -9.1575 -9.1575 -5.5730 -5.5730 -5.5373 -5.5373 -1.2946 -1.2946 1.8860 1.8860 2.7658 2.7658 2.8120 2.8120 4.5865 4.5865 5.2077 5.2077 5.9818 5.9818 6.0867 6.0867 8.4132 8.4132 8.4611 8.4611 9.4713 9.4713 10.4047 10.4047 13.8069 13.8069 13.9725 13.9725 14.8028 14.8028 k =-0.3360 0.5729 0.4215 ( 2469 PWs) bands (ev): -9.1054 -9.1054 -5.5243 -5.5243 -5.4885 -5.4885 -1.2449 -1.2449 1.9260 1.9260 2.5572 2.5572 2.8534 2.8534 4.6194 4.6194 5.2461 5.2461 5.7907 5.7907 5.9035 5.9035 8.4498 8.4498 8.4894 8.4894 9.3247 9.3247 10.4224 10.4224 13.8421 13.8421 14.0041 14.0041 14.6448 14.6448 k =-0.3360 0.5729 0.4390 ( 2471 PWs) bands (ev): -9.0514 -9.0514 -5.4739 -5.4739 -5.4381 -5.4381 -1.1936 -1.1936 1.9670 1.9670 2.3500 2.3500 2.8968 2.8968 4.6505 4.6505 5.2852 5.2852 5.6009 5.6009 5.7237 5.7237 8.4865 8.4865 8.5170 8.5170 9.1765 9.1765 10.4470 10.4470 13.8716 13.8716 14.0362 14.0362 14.4915 14.4915 k =-0.3360 0.5729 0.4566 ( 2473 PWs) bands (ev): -8.9958 -8.9958 -5.4219 -5.4219 -5.3860 -5.3860 -1.1406 -1.1406 2.0079 2.0079 2.1459 2.1459 2.9415 2.9415 4.6780 4.6780 5.3216 5.3216 5.4158 5.4158 5.5501 5.5501 8.5171 8.5171 8.5450 8.5450 9.0337 9.0337 10.4764 10.4764 13.8870 13.8870 14.0688 14.0688 14.3526 14.3526 k =-0.3360 0.5729 0.4741 ( 2467 PWs) bands (ev): -8.9385 -8.9385 -5.3684 -5.3684 -5.3325 -5.3325 -1.0860 -1.0860 1.9376 1.9376 2.0563 2.0563 2.9871 2.9871 4.6973 4.6973 5.2191 5.2191 5.3628 5.3628 5.3962 5.3962 8.5226 8.5226 8.5805 8.5805 8.9096 8.9096 10.5092 10.5092 13.8689 13.8689 14.1018 14.1018 14.2484 14.2484 k =-0.3360 0.5729 0.4917 ( 2465 PWs) bands (ev): -8.8797 -8.8797 -5.3135 -5.3135 -5.2776 -5.2776 -1.0299 -1.0299 1.7386 1.7386 2.0987 2.0987 3.0338 3.0338 4.6992 4.6992 5.0355 5.0355 5.2401 5.2401 5.4161 5.4161 8.4806 8.4806 8.6217 8.6217 8.8290 8.8290 10.5445 10.5445 13.7945 13.7945 14.1350 14.1350 14.2023 14.2023 k =-0.3360 0.5729 0.5093 ( 2469 PWs) bands (ev): -8.8193 -8.8193 -5.2573 -5.2573 -5.2214 -5.2214 -0.9725 -0.9725 1.5409 1.5409 2.1434 2.1434 3.0813 3.0813 4.6662 4.6662 4.8525 4.8525 5.1346 5.1346 5.4586 5.4586 8.3820 8.3820 8.6650 8.6650 8.8050 8.8050 10.5818 10.5818 13.6736 13.6736 14.1685 14.1685 14.2049 14.2049 k =-0.3360 0.5729 0.5268 ( 2471 PWs) bands (ev): -8.7577 -8.7577 -5.1999 -5.1999 -5.1639 -5.1639 -0.9137 -0.9137 1.3458 1.3458 2.1889 2.1889 3.1296 3.1296 4.5829 4.5829 4.6717 4.6717 5.0820 5.0820 5.5025 5.5025 8.2489 8.2489 8.7097 8.7097 8.8166 8.8166 10.6207 10.6207 13.5313 13.5313 14.2025 14.2025 14.2299 14.2299 k =-0.3360 0.5729 0.5444 ( 2468 PWs) bands (ev): -8.6947 -8.6947 -5.1414 -5.1414 -5.1054 -5.1054 -0.8538 -0.8538 1.1538 1.1538 2.2350 2.2350 3.1784 3.1784 4.4577 4.4577 4.4939 4.4939 5.0740 5.0740 5.5473 5.5473 8.1020 8.1020 8.7554 8.7554 8.8439 8.8439 10.6608 10.6608 13.3814 13.3814 14.2369 14.2369 14.2615 14.2615 k =-0.3360 0.5729 0.5620 ( 2470 PWs) bands (ev): -8.6307 -8.6307 -5.0818 -5.0818 -5.0458 -5.0458 -0.7927 -0.7927 0.9650 0.9650 2.2816 2.2816 3.2277 3.2277 4.3092 4.3092 4.3206 4.3206 5.0909 5.0909 5.5926 5.5926 7.9500 7.9500 8.8017 8.8017 8.8783 8.8783 10.7019 10.7019 13.2295 13.2295 14.2711 14.2711 14.2780 14.2780 k =-0.3360 0.5729 0.5795 ( 2470 PWs) bands (ev): -8.5656 -8.5656 -5.0215 -5.0215 -4.9854 -4.9854 -0.7307 -0.7307 0.7798 0.7798 2.3284 2.3284 3.2772 3.2772 4.1443 4.1443 4.1582 4.1582 5.1201 5.1201 5.6382 5.6382 7.7966 7.7966 8.8485 8.8485 8.9165 8.9165 10.7437 10.7437 13.0781 13.0781 14.1914 14.1914 14.3065 14.3065 k =-0.3360 0.5729 0.5971 ( 2472 PWs) bands (ev): -8.4997 -8.4997 -4.9604 -4.9604 -4.9243 -4.9243 -0.6679 -0.6679 0.5982 0.5982 2.3753 2.3753 3.3265 3.3265 3.9771 3.9771 3.9990 3.9990 5.1557 5.1557 5.6841 5.6841 7.6437 7.6437 8.8957 8.8957 8.9569 8.9569 10.7860 10.7860 12.9286 12.9286 14.0371 14.0371 14.3410 14.3410 k =-0.3360 0.5729 0.6146 ( 2470 PWs) bands (ev): -8.4332 -8.4332 -4.8987 -4.8987 -4.8627 -4.8627 -0.6044 -0.6044 0.4206 0.4206 2.4221 2.4221 3.3750 3.3750 3.8140 3.8140 3.8406 3.8406 5.1947 5.1947 5.7301 5.7301 7.4923 7.4923 8.9429 8.9429 8.9986 8.9986 10.8287 10.8287 12.7819 12.7819 13.8765 13.8765 14.3753 14.3753 k =-0.3360 0.5729 0.6322 ( 2472 PWs) bands (ev): -8.3661 -8.3661 -4.8367 -4.8367 -4.8007 -4.8007 -0.5404 -0.5404 0.2471 0.2471 2.4686 2.4686 3.4199 3.4199 3.6580 3.6580 3.6842 3.6842 5.2357 5.2357 5.7760 5.7760 7.3431 7.3431 8.9902 8.9902 9.0410 9.0410 10.8715 10.8715 12.6385 12.6385 13.7181 13.7181 14.4092 14.4092 k =-0.3360 0.5729 0.6498 ( 2474 PWs) bands (ev): -8.2986 -8.2986 -4.7744 -4.7744 -4.7384 -4.7384 -0.4761 -0.4761 0.0780 0.0780 2.5145 2.5145 3.4346 3.4346 3.5252 3.5252 3.5419 3.5419 5.2778 5.2778 5.8216 5.8216 7.1968 7.1968 9.0372 9.0372 9.0839 9.0839 10.9143 10.9143 12.4990 12.4990 13.5637 13.5637 14.4425 14.4425 k =-0.3360 0.5729 0.6673 ( 2472 PWs) bands (ev): -8.2311 -8.2311 -4.7122 -4.7122 -4.6762 -4.6762 -0.4117 -0.4117 -0.0864 -0.0864 2.5593 2.5593 3.3260 3.3260 3.3785 3.3785 3.5448 3.5448 5.3202 5.3202 5.8668 5.8668 7.0537 7.0537 9.0838 9.0838 9.1270 9.1270 10.9569 10.9569 12.3636 12.3636 13.4142 13.4142 14.4749 14.4749 k =-0.3360 0.5729 0.6849 ( 2478 PWs) bands (ev): -8.1638 -8.1638 -4.6502 -4.6502 -4.6143 -4.6143 -0.3474 -0.3474 -0.2459 -0.2459 2.6022 2.6022 3.1862 3.1862 3.2322 3.2322 3.5877 3.5877 5.3626 5.3626 5.9114 5.9114 6.9143 6.9143 9.1298 9.1298 9.1699 9.1699 10.9990 10.9990 12.2327 12.2327 13.2698 13.2698 14.5047 14.5047 k =-0.3360 0.5729 0.7024 ( 2474 PWs) bands (ev): -8.0968 -8.0968 -4.5887 -4.5887 -4.5528 -4.5528 -0.4002 -0.4002 -0.2833 -0.2833 2.6417 2.6417 3.0499 3.0499 3.0903 3.0903 3.6339 3.6339 5.4045 5.4045 5.9553 5.9553 6.7792 6.7792 9.1748 9.1748 9.2125 9.2125 11.0406 11.0406 12.1066 12.1066 13.1310 13.1310 14.4892 14.4892 k =-0.3360 0.5729 0.7200 ( 2469 PWs) bands (ev): -8.0305 -8.0305 -4.5279 -4.5279 -4.4920 -4.4920 -0.5490 -0.5490 -0.2200 -0.2200 2.6722 2.6722 2.9256 2.9256 2.9533 2.9533 3.6803 3.6803 5.4455 5.4455 5.9981 5.9981 6.6487 6.6487 9.2187 9.2187 9.2547 9.2547 11.0814 11.0814 11.9858 11.9858 12.9980 12.9980 14.3731 14.3731 k =-0.3360 0.5729 0.7376 ( 2466 PWs) bands (ev): -7.9652 -7.9652 -4.4681 -4.4681 -4.4323 -4.4323 -0.6918 -0.6918 -0.1575 -0.1575 2.6700 2.6700 2.8197 2.8197 2.8400 2.8400 3.7259 3.7259 5.4852 5.4852 6.0398 6.0398 6.5234 6.5234 9.2613 9.2613 9.2961 9.2961 11.1213 11.1213 11.8703 11.8703 12.8711 12.8711 14.2551 14.2551 k =-0.3360 0.5729 0.7551 ( 2464 PWs) bands (ev): -7.9012 -7.9012 -4.4096 -4.4096 -4.3739 -4.3739 -0.8285 -0.8285 -0.0963 -0.0963 2.5977 2.5977 2.6943 2.6943 2.8261 2.8261 3.7702 3.7702 5.5232 5.5232 6.0799 6.0799 6.4039 6.4039 9.3022 9.3022 9.3367 9.3367 11.1599 11.1599 11.7606 11.7606 12.7506 12.7506 14.1423 14.1423 k =-0.3360 0.5729 0.7727 ( 2456 PWs) bands (ev): -7.8389 -7.8389 -4.3528 -4.3528 -4.3172 -4.3172 -0.9586 -0.9586 -0.0366 -0.0366 2.4929 2.4929 2.5742 2.5742 2.8500 2.8500 3.8130 3.8130 5.5588 5.5588 6.1181 6.1181 6.2914 6.2914 9.3414 9.3414 9.3761 9.3761 11.1972 11.1972 11.6569 11.6569 12.6367 12.6367 14.0353 14.0353 k =-0.3360 0.5729 0.7902 ( 2454 PWs) bands (ev): -7.7786 -7.7786 -4.2980 -4.2980 -4.2625 -4.2625 -1.0816 -1.0816 0.0212 0.0212 2.3850 2.3850 2.4605 2.4605 2.8818 2.8818 3.8540 3.8540 5.5914 5.5914 6.1493 6.1493 6.1915 6.1915 9.3785 9.3785 9.4142 9.4142 11.2330 11.2330 11.5594 11.5594 12.5298 12.5298 13.9348 13.9348 k =-0.3360 0.5729 0.8078 ( 2452 PWs) bands (ev): -7.7208 -7.7208 -4.2455 -4.2455 -4.2101 -4.2101 -1.1973 -1.1973 0.0766 0.0766 2.2811 2.2811 2.3537 2.3537 2.9146 2.9146 3.8929 3.8929 5.6196 5.6196 6.0848 6.0848 6.1942 6.1942 9.4135 9.4135 9.4507 9.4507 11.2669 11.2669 11.4685 11.4685 12.4300 12.4300 13.8408 13.8408 k =-0.3360 0.5729 0.8254 ( 2456 PWs) bands (ev): -7.6659 -7.6659 -4.1958 -4.1958 -4.1605 -4.1605 -1.3051 -1.3051 0.1293 0.1293 2.1833 2.1833 2.2541 2.2541 2.9465 2.9465 3.9294 3.9294 5.6412 5.6412 6.0004 6.0004 6.2259 6.2259 9.4461 9.4461 9.4852 9.4852 11.2988 11.2988 11.3845 11.3845 12.3377 12.3377 13.7538 13.7538 k =-0.3360 0.5729 0.8429 ( 2454 PWs) bands (ev): -7.6143 -7.6143 -4.1492 -4.1492 -4.1140 -4.1140 -1.4045 -1.4045 0.1789 0.1789 2.0926 2.0926 2.1623 2.1623 2.9765 2.9765 3.9633 3.9633 5.6520 5.6520 5.9309 5.9309 6.2560 6.2560 9.4762 9.4762 9.5176 9.5176 11.3065 11.3065 11.3295 11.3295 12.2531 12.2531 13.6741 13.6741 k =-0.3360 0.5729 0.8605 ( 2451 PWs) bands (ev): -7.5665 -7.5665 -4.1061 -4.1061 -4.0710 -4.0710 -1.4952 -1.4952 0.2250 0.2250 2.0097 2.0097 2.0786 2.0786 3.0044 3.0044 3.9944 3.9944 5.6460 5.6460 5.8833 5.8833 6.2838 6.2838 9.5036 9.5036 9.5475 9.5475 11.2375 11.2375 11.3563 11.3563 12.1765 12.1765 13.6018 13.6018 k =-0.3360 0.5729 0.8780 ( 2449 PWs) bands (ev): -7.5229 -7.5229 -4.0669 -4.0669 -4.0319 -4.0319 -1.5766 -1.5766 0.2669 0.2669 1.9353 1.9353 2.0036 2.0036 3.0295 3.0295 4.0224 4.0224 5.6203 5.6203 5.8608 5.8608 6.3089 6.3089 9.5282 9.5282 9.5747 9.5747 11.1754 11.1754 11.3810 11.3810 12.1081 12.1081 13.5372 13.5372 k =-0.3360 0.5729 0.8956 ( 2441 PWs) bands (ev): -7.4840 -7.4840 -4.0320 -4.0320 -3.9971 -3.9971 -1.6483 -1.6483 0.3045 0.3045 1.8697 1.8697 1.9375 1.9375 3.0519 3.0519 4.0471 4.0471 5.5818 5.5818 5.8568 5.8568 6.3310 6.3310 9.5499 9.5499 9.5988 9.5988 11.1210 11.1210 11.4030 11.4030 12.0483 12.0483 13.4807 13.4807 k =-0.3360 0.5729 0.9132 ( 2443 PWs) bands (ev): -7.4503 -7.4503 -4.0018 -4.0018 -3.9670 -3.9670 -1.7098 -1.7098 0.3371 0.3371 1.8134 1.8134 1.8808 1.8808 3.0711 3.0711 4.0684 4.0684 5.5404 5.5404 5.8617 5.8617 6.3501 6.3501 9.5685 9.5685 9.6197 9.6197 11.0746 11.0746 11.4219 11.4219 11.9972 11.9972 13.4324 13.4324 k =-0.3360 0.5729 0.9307 ( 2439 PWs) bands (ev): -7.4221 -7.4221 -3.9766 -3.9766 -3.9418 -3.9418 -1.7607 -1.7607 0.3644 0.3644 1.7669 1.7669 1.8339 1.8339 3.0871 3.0871 4.0861 4.0861 5.5023 5.5023 5.8695 5.8695 6.3659 6.3659 9.5839 9.5839 9.6372 9.6372 11.0364 11.0364 11.4377 11.4377 11.9550 11.9550 13.3925 13.3925 k =-0.3360 0.5729 0.9483 ( 2445 PWs) bands (ev): -7.3998 -7.3998 -3.9566 -3.9566 -3.9219 -3.9219 -1.8008 -1.8008 0.3860 0.3860 1.7303 1.7303 1.7970 1.7970 3.0996 3.0996 4.1000 4.1000 5.4708 5.4708 5.8772 5.8772 6.3783 6.3783 9.5960 9.5960 9.6509 9.6509 11.0065 11.0065 11.4501 11.4501 11.9220 11.9220 13.3613 13.3613 k =-0.3360 0.5729 0.9659 ( 2445 PWs) bands (ev): -7.3836 -7.3836 -3.9422 -3.9422 -3.9076 -3.9076 -1.8296 -1.8296 0.4017 0.4017 1.7040 1.7040 1.7705 1.7705 3.1087 3.1087 4.1100 4.1100 5.4475 5.4475 5.8833 5.8833 6.3873 6.3873 9.6047 9.6047 9.6609 9.6609 10.9850 10.9850 11.4591 11.4591 11.8984 11.8984 13.3389 13.3389 k =-0.3360 0.5729 0.9834 ( 2443 PWs) bands (ev): -7.3738 -7.3738 -3.9335 -3.9335 -3.8988 -3.8988 -1.8470 -1.8470 0.4113 0.4113 1.6881 1.6881 1.7545 1.7545 3.1142 3.1142 4.1161 4.1161 5.4332 5.4332 5.8873 5.8873 6.3927 6.3927 9.6099 9.6099 9.6669 9.6669 10.9721 10.9721 11.4646 11.4646 11.8841 11.8841 13.3254 13.3254 k =-0.3360 0.5729 1.0010 ( 2454 PWs) bands (ev): -7.3705 -7.3705 -3.9305 -3.9305 -3.8959 -3.8959 -1.8528 -1.8528 0.4144 0.4144 1.6828 1.6828 1.7491 1.7491 3.1160 3.1160 4.1181 4.1181 5.4284 5.4284 5.8886 5.8886 6.3945 6.3945 9.6117 9.6117 9.6689 9.6689 10.9678 10.9678 11.4664 11.4664 11.8794 11.8794 13.3209 13.3209 k =-0.3360 0.5729 1.0010 ( 2454 PWs) bands (ev): -7.3705 -7.3705 -3.9305 -3.9305 -3.8959 -3.8959 -1.8528 -1.8528 0.4144 0.4144 1.6828 1.6828 1.7491 1.7491 3.1160 3.1160 4.1181 4.1181 5.4284 5.4284 5.8886 5.8886 6.3945 6.3945 9.6117 9.6117 9.6689 9.6689 10.9678 10.9678 11.4664 11.4664 11.8794 11.8794 13.3209 13.3209 k =-0.3446 0.5582 1.0010 ( 2450 PWs) bands (ev): -7.3661 -7.3661 -3.9302 -3.9302 -3.9208 -3.9208 -1.8501 -1.8501 0.4740 0.4740 1.6844 1.6844 1.7306 1.7306 3.1779 3.1779 4.0506 4.0506 5.4630 5.4630 5.8105 5.8105 6.3331 6.3331 9.6160 9.6160 9.7665 9.7665 11.0129 11.0129 11.5240 11.5240 11.8177 11.8177 13.2323 13.2323 k =-0.3532 0.5435 1.0010 ( 2450 PWs) bands (ev): -7.3622 -7.3622 -3.9450 -3.9450 -3.9283 -3.9283 -1.8478 -1.8478 0.5334 0.5334 1.6867 1.6867 1.7130 1.7130 3.2387 3.2387 3.9843 3.9843 5.4970 5.4970 5.7321 5.7321 6.2717 6.2717 9.6128 9.6128 9.8717 9.8717 11.0440 11.0440 11.5898 11.5898 11.7730 11.7730 13.1458 13.1458 k =-0.3619 0.5288 1.0010 ( 2446 PWs) bands (ev): -7.3587 -7.3587 -3.9677 -3.9677 -3.9259 -3.9259 -1.8458 -1.8458 0.5924 0.5924 1.6879 1.6879 1.6978 1.6978 3.2978 3.2978 3.9203 3.9203 5.5291 5.5291 5.6548 5.6548 6.2104 6.2104 9.6056 9.6056 9.9806 9.9806 11.0574 11.0574 11.6623 11.6623 11.7493 11.7493 13.0620 13.0620 k =-0.3705 0.5140 1.0010 ( 2442 PWs) bands (ev): -7.3556 -7.3556 -3.9893 -3.9893 -3.9226 -3.9226 -1.8440 -1.8440 0.6507 0.6507 1.6774 1.6774 1.6958 1.6958 3.3542 3.3542 3.8600 3.8600 5.5465 5.5465 5.5920 5.5920 6.1494 6.1494 9.5955 9.5955 10.0918 10.0918 11.0513 11.0513 11.7398 11.7398 11.7486 11.7486 12.9811 12.9811 k =-0.3791 0.4993 1.0010 ( 2440 PWs) bands (ev): -7.3529 -7.3529 -4.0097 -4.0097 -3.9187 -3.9187 -1.8426 -1.8426 0.7080 0.7080 1.6624 1.6624 1.6996 1.6996 3.4061 3.4061 3.8055 3.8055 5.4894 5.4894 5.6039 5.6039 6.0890 6.0890 9.5834 9.5834 10.2042 10.2042 11.0279 11.0279 11.7690 11.7690 11.8210 11.8210 12.9036 12.9036 k =-0.3878 0.4846 1.0010 ( 2440 PWs) bands (ev): -7.3506 -7.3506 -4.0288 -4.0288 -3.9142 -3.9142 -1.8414 -1.8414 0.7640 0.7640 1.6479 1.6479 1.7041 1.7041 3.4495 3.4495 3.7609 3.7609 5.4157 5.4157 5.6330 5.6330 6.0294 6.0294 9.5699 9.5699 10.3170 10.3170 10.9918 10.9918 11.8060 11.8060 11.9042 11.9042 12.8298 12.8298 k =-0.3964 0.4699 1.0010 ( 2440 PWs) bands (ev): -7.3485 -7.3485 -4.0466 -4.0466 -3.9092 -3.9092 -1.8404 -1.8404 0.8183 0.8183 1.6342 1.6342 1.7090 1.7090 3.4777 3.4777 3.7332 3.7332 5.3428 5.3428 5.6623 5.6623 5.9709 5.9709 9.5556 9.5556 10.4289 10.4289 10.9480 10.9480 11.8547 11.8547 11.9880 11.9880 12.7600 12.7600 k =-0.4050 0.4551 1.0010 ( 2432 PWs) bands (ev): -7.3467 -7.3467 -4.0631 -4.0631 -3.9041 -3.9041 -1.8396 -1.8396 0.8707 0.8707 1.6214 1.6214 1.7140 1.7140 3.4824 3.4824 3.7307 3.7307 5.2723 5.2723 5.6904 5.6904 5.9139 5.9139 9.5411 9.5411 10.5389 10.5389 10.9009 10.9009 11.9110 11.9110 12.0711 12.0711 12.6945 12.6945 k =-0.4137 0.4404 1.0010 ( 2436 PWs) bands (ev): -7.3453 -7.3453 -4.0783 -4.0783 -3.8987 -3.8987 -1.8390 -1.8390 0.9206 0.9206 1.6097 1.6097 1.7191 1.7191 3.4651 3.4651 3.7520 3.7520 5.2052 5.2052 5.7169 5.7169 5.8589 5.8589 9.5268 9.5268 10.6456 10.6456 10.8534 10.8534 11.9719 11.9719 12.1521 12.1521 12.6337 12.6337 k =-0.4223 0.4257 1.0010 ( 2436 PWs) bands (ev): -7.3440 -7.3440 -4.0921 -4.0921 -3.8935 -3.8935 -1.8386 -1.8386 0.9676 0.9676 1.5989 1.5989 1.7241 1.7241 3.4359 3.4359 3.7868 3.7868 5.1420 5.1420 5.7409 5.7409 5.8068 5.8068 9.5130 9.5130 10.7460 10.7460 10.8094 10.8094 12.0353 12.0353 12.2298 12.2298 12.5778 12.5778 k =-0.4309 0.4110 1.0010 ( 2434 PWs) bands (ev): -7.3430 -7.3430 -4.1045 -4.1045 -3.8883 -3.8883 -1.8382 -1.8382 1.0114 1.0114 1.5892 1.5892 1.7289 1.7289 3.4028 3.4028 3.8269 3.8269 5.0834 5.0834 5.7484 5.7484 5.7719 5.7719 9.5000 9.5000 10.7594 10.7594 10.8498 10.8498 12.0995 12.0995 12.3030 12.3030 12.5271 12.5271 k =-0.4396 0.3963 1.0010 ( 2436 PWs) bands (ev): -7.3421 -7.3421 -4.1155 -4.1155 -3.8834 -3.8834 -1.8380 -1.8380 1.0515 1.0515 1.5806 1.5806 1.7334 1.7334 3.3701 3.3701 3.8677 3.8677 5.0300 5.0300 5.7065 5.7065 5.7876 5.7876 9.4881 9.4881 10.7207 10.7207 10.9392 10.9392 12.1631 12.1631 12.3704 12.3704 12.4820 12.4820 k =-0.4482 0.3815 1.0010 ( 2440 PWs) bands (ev): -7.3415 -7.3415 -4.1251 -4.1251 -3.8790 -3.8790 -1.8378 -1.8378 1.0874 1.0874 1.5730 1.5730 1.7375 1.7375 3.3399 3.3399 3.9066 3.9066 4.9824 4.9824 5.6642 5.6642 5.8053 5.8053 9.4774 9.4774 10.6853 10.6853 11.0216 11.0216 12.2247 12.2247 12.4280 12.4280 12.4456 12.4456 k =-0.4568 0.3668 1.0010 ( 2440 PWs) bands (ev): -7.3409 -7.3409 -4.1332 -4.1332 -3.8750 -3.8750 -1.8377 -1.8377 1.1186 1.1186 1.5666 1.5666 1.7412 1.7412 3.3133 3.3133 3.9422 3.9422 4.9410 4.9410 5.6262 5.6262 5.8209 5.8209 9.4682 9.4682 10.6545 10.6545 11.0948 11.0948 12.2827 12.2827 12.4072 12.4072 12.4860 12.4860 k =-0.4655 0.3521 1.0010 ( 2440 PWs) bands (ev): -7.3405 -7.3405 -4.1399 -4.1399 -3.8716 -3.8716 -1.8377 -1.8377 1.1449 1.1449 1.5614 1.5614 1.7442 1.7442 3.2910 3.2910 3.9731 3.9731 4.9064 4.9064 5.5936 5.5936 5.8339 5.8339 9.4604 9.4604 10.6289 10.6289 11.1570 11.1570 12.3349 12.3349 12.3801 12.3801 12.5306 12.5306 k =-0.4741 0.3374 1.0010 ( 2436 PWs) bands (ev): -7.3402 -7.3402 -4.1451 -4.1451 -3.8689 -3.8689 -1.8376 -1.8376 1.1657 1.1657 1.5573 1.5573 1.7467 1.7467 3.2733 3.2733 3.9983 3.9983 4.8790 4.8790 5.5672 5.5672 5.8441 5.8441 9.4543 9.4543 10.6087 10.6087 11.2071 11.2071 12.3554 12.3554 12.3832 12.3832 12.5664 12.5664 k =-0.4827 0.3226 1.0010 ( 2440 PWs) bands (ev): -7.3400 -7.3400 -4.1488 -4.1488 -3.8669 -3.8669 -1.8376 -1.8376 1.1808 1.1808 1.5544 1.5544 1.7485 1.7485 3.2604 3.2604 4.0170 4.0170 4.8592 4.8592 5.5478 5.5478 5.8515 5.8515 9.4499 9.4499 10.5941 10.5941 11.2439 11.2439 12.3408 12.3408 12.4175 12.4175 12.5923 12.5923 k =-0.4914 0.3079 1.0010 ( 2444 PWs) bands (ev): -7.3399 -7.3399 -4.1510 -4.1510 -3.8657 -3.8657 -1.8376 -1.8376 1.1900 1.1900 1.5526 1.5526 1.7496 1.7496 3.2527 3.2527 4.0285 4.0285 4.8472 4.8472 5.5358 5.5358 5.8560 5.8560 9.4472 9.4472 10.5853 10.5853 11.2663 11.2663 12.3315 12.3315 12.4400 12.4400 12.6081 12.6081 k =-0.5000 0.2932 1.0010 ( 2452 PWs) bands (ev): -7.3398 -7.3398 -4.1518 -4.1518 -3.8653 -3.8653 -1.8376 -1.8376 1.1930 1.1930 1.5520 1.5520 1.7499 1.7499 3.2501 3.2501 4.0324 4.0324 4.8431 4.8431 5.5318 5.5318 5.8575 5.8575 9.4463 9.4463 10.5824 10.5824 11.2739 11.2739 12.3283 12.3283 12.4479 12.4479 12.6134 12.6134 k =-0.5000 0.2932 1.0010 ( 2452 PWs) bands (ev): -7.3398 -7.3398 -4.1518 -4.1518 -3.8653 -3.8653 -1.8376 -1.8376 1.1930 1.1930 1.5520 1.5520 1.7499 1.7499 3.2501 3.2501 4.0324 4.0324 4.8431 4.8431 5.5318 5.5318 5.8575 5.8575 9.4463 9.4463 10.5824 10.5824 11.2739 11.2739 12.3283 12.3283 12.4479 12.4479 12.6134 12.6134 k =-0.5000 0.2932 0.9834 ( 2446 PWs) bands (ev): -7.3431 -7.3431 -4.1546 -4.1546 -3.8682 -3.8682 -1.8318 -1.8318 1.1897 1.1897 1.5573 1.5573 1.7552 1.7552 3.2479 3.2479 4.0307 4.0307 4.8412 4.8412 5.5299 5.5299 5.8630 5.8630 9.4447 9.4447 10.5871 10.5871 11.2725 11.2725 12.3328 12.3328 12.4521 12.4521 12.6121 12.6121 k =-0.5000 0.2932 0.9659 ( 2436 PWs) bands (ev): -7.3530 -7.3530 -4.1633 -4.1633 -3.8768 -3.8768 -1.8144 -1.8144 1.1795 1.1795 1.5731 1.5731 1.7710 1.7710 3.2413 3.2413 4.0258 4.0258 4.8355 4.8355 5.5241 5.5241 5.8794 5.8794 9.4399 9.4399 10.6012 10.6012 11.2683 11.2683 12.3463 12.3463 12.4648 12.4648 12.6082 12.6082 k =-0.5000 0.2932 0.9483 ( 2436 PWs) bands (ev): -7.3692 -7.3692 -4.1776 -4.1776 -3.8911 -3.8911 -1.7855 -1.7855 1.1629 1.1629 1.5993 1.5993 1.7972 1.7972 3.2304 3.2304 4.0177 4.0177 4.8260 4.8260 5.5145 5.5145 5.9067 5.9067 9.4319 9.4319 10.6246 10.6246 11.2614 11.2614 12.3687 12.3687 12.4859 12.4859 12.6019 12.6019 k =-0.5000 0.2932 0.9307 ( 2432 PWs) bands (ev): -7.3916 -7.3916 -4.1974 -4.1974 -3.9109 -3.9109 -1.7453 -1.7453 1.1399 1.1399 1.6357 1.6357 1.8337 1.8337 3.2153 3.2153 4.0064 4.0064 4.8128 4.8128 5.5012 5.5012 5.9444 5.9444 9.4208 9.4208 10.6572 10.6572 11.2518 11.2518 12.3999 12.3999 12.5154 12.5154 12.5930 12.5930 k =-0.5000 0.2932 0.9132 ( 2436 PWs) bands (ev): -7.4200 -7.4200 -4.2224 -4.2224 -3.9360 -3.9360 -1.6943 -1.6943 1.1109 1.1109 1.6821 1.6821 1.8801 1.8801 3.1960 3.1960 3.9920 3.9920 4.7961 4.7961 5.4843 5.4843 5.9924 5.9924 9.4067 9.4067 10.6989 10.6989 11.2396 11.2396 12.4398 12.4398 12.5531 12.5531 12.5817 12.5817 k =-0.5000 0.2932 0.8956 ( 2442 PWs) bands (ev): -7.4538 -7.4538 -4.2524 -4.2524 -3.9660 -3.9660 -1.6326 -1.6326 1.0764 1.0764 1.7381 1.7381 1.9361 1.9361 3.1729 3.1729 3.9746 3.9746 4.7760 4.7760 5.4639 5.4639 6.0501 6.0501 9.3896 9.3896 10.7494 10.7494 11.2250 11.2250 12.4881 12.4881 12.5683 12.5683 12.5988 12.5988 k =-0.5000 0.2932 0.8780 ( 2450 PWs) bands (ev): -7.4929 -7.4929 -4.2870 -4.2870 -4.0006 -4.0006 -1.5608 -1.5608 1.0367 1.0367 1.8035 1.8035 2.0015 2.0015 3.1460 3.1460 3.9544 3.9544 4.7526 4.7526 5.4401 5.4401 6.1172 6.1172 9.3697 9.3697 10.8087 10.8087 11.2080 11.2080 12.5408 12.5408 12.5564 12.5564 12.6525 12.6525 k =-0.5000 0.2932 0.8605 ( 2454 PWs) bands (ev): -7.5366 -7.5366 -4.3258 -4.3258 -4.0395 -4.0395 -1.4793 -1.4793 0.9923 0.9923 1.8778 1.8778 2.0759 2.0759 3.1156 3.1156 3.9315 3.9315 4.7262 4.7262 5.4132 5.4132 6.1931 6.1931 9.3472 9.3472 10.8763 10.8763 11.1888 11.1888 12.5326 12.5326 12.6116 12.6116 12.7138 12.7138 k =-0.5000 0.2932 0.8429 ( 2454 PWs) bands (ev): -7.5845 -7.5845 -4.3686 -4.3686 -4.0822 -4.0822 -1.3884 -1.3884 0.9438 0.9438 1.9607 1.9607 2.1587 2.1587 3.0819 3.0819 3.9061 3.9061 4.6970 4.6970 5.3834 5.3834 6.2774 6.2774 9.3221 9.3221 10.9519 10.9519 11.1677 11.1677 12.5127 12.5127 12.6844 12.6844 12.7828 12.7828 k =-0.5000 0.2932 0.8254 ( 2458 PWs) bands (ev): -7.6363 -7.6363 -4.4149 -4.4149 -4.1285 -4.1285 -1.2888 -1.2888 0.8916 0.8916 2.0516 2.0516 2.2497 2.2497 3.0452 3.0452 3.8784 3.8784 4.6651 4.6651 5.3508 5.3508 6.3694 6.3694 9.2946 9.2946 11.0349 11.0349 11.1452 11.1452 12.4905 12.4905 12.7652 12.7652 12.8591 12.8591 k =-0.5000 0.2932 0.8078 ( 2460 PWs) bands (ev): -7.6914 -7.6914 -4.4643 -4.4643 -4.1779 -4.1779 -1.1808 -1.1808 0.8361 0.8361 2.1502 2.1502 2.3483 2.3483 3.0058 3.0058 3.8485 3.8485 4.6310 4.6310 5.3156 5.3156 6.4687 6.4687 9.2650 9.2650 11.1079 11.1079 11.1384 11.1384 12.4663 12.4663 12.8536 12.8536 12.9425 12.9425 k =-0.5000 0.2932 0.7902 ( 2458 PWs) bands (ev): -7.7494 -7.7494 -4.5165 -4.5165 -4.2300 -4.2300 -1.0650 -1.0650 0.7780 0.7780 2.2560 2.2560 2.4541 2.4541 2.9639 2.9639 3.8167 3.8167 4.5948 4.5948 5.2782 5.2782 6.5749 6.5749 9.2333 9.2333 11.0894 11.0894 11.2287 11.2287 12.4405 12.4405 12.9493 12.9493 13.0329 13.0329 k =-0.5000 0.2932 0.7727 ( 2470 PWs) bands (ev): -7.8099 -7.8099 -4.5710 -4.5710 -4.2844 -4.2844 -0.9417 -0.9417 0.7176 0.7176 2.3686 2.3686 2.5666 2.5666 2.9198 2.9198 3.7832 3.7832 4.5569 4.5569 5.2386 5.2386 6.6873 6.6873 9.1998 9.1998 11.0615 11.0615 11.3338 11.3338 12.4130 12.4130 13.0520 13.0520 13.1300 13.1300 k =-0.5000 0.2932 0.7551 ( 2462 PWs) bands (ev): -7.8724 -7.8724 -4.6275 -4.6275 -4.3409 -4.3409 -0.8114 -0.8114 0.6552 0.6552 2.4874 2.4874 2.6848 2.6848 2.8742 2.8742 3.7485 3.7485 4.5176 4.5176 5.1972 5.1972 6.8056 6.8056 9.1646 9.1646 11.0317 11.0317 11.4462 11.4462 12.3841 12.3841 13.1615 13.1615 13.2337 13.2337 k =-0.5000 0.2932 0.7376 ( 2466 PWs) bands (ev): -7.9366 -7.9366 -4.6857 -4.6857 -4.3990 -4.3990 -0.6746 -0.6746 0.5914 0.5914 2.6119 2.6119 2.8002 2.8002 2.8354 2.8354 3.7128 3.7128 4.4771 4.4771 5.1542 5.1542 6.9293 6.9293 9.1280 9.1280 11.0005 11.0005 11.5652 11.5652 12.3539 12.3539 13.2776 13.2776 13.3436 13.3436 k =-0.5000 0.2932 0.7200 ( 2466 PWs) bands (ev): -8.0021 -8.0021 -4.7452 -4.7452 -4.4584 -4.4584 -0.5315 -0.5315 0.5265 0.5265 2.7411 2.7411 2.7745 2.7745 2.9415 2.9415 3.6770 3.6770 4.4361 4.4361 5.1098 5.1098 7.0580 7.0580 9.0901 9.0901 10.9681 10.9681 11.6904 11.6904 12.3226 12.3226 13.3999 13.3999 13.4597 13.4597 k =-0.5000 0.2932 0.7024 ( 2470 PWs) bands (ev): -8.0685 -8.0685 -4.8058 -4.8058 -4.5188 -4.5188 -0.3825 -0.3825 0.4607 0.4607 2.7238 2.7238 2.8763 2.8763 3.0733 3.0733 3.6421 3.6421 4.3949 4.3949 5.0641 5.0641 7.1914 7.1914 9.0510 9.0510 10.9346 10.9346 11.8214 11.8214 12.2902 12.2902 13.4929 13.4929 13.5282 13.5282 k =-0.5000 0.2932 0.6849 ( 2470 PWs) bands (ev): -8.1357 -8.1357 -4.8671 -4.8671 -4.5800 -4.5800 -0.2281 -0.2281 0.3945 0.3945 2.6724 2.6724 3.0144 3.0144 3.2057 3.2057 3.6115 3.6115 4.3542 4.3542 5.0175 5.0175 7.3291 7.3291 9.0111 9.0111 10.9002 10.9002 11.9580 11.9580 12.2570 12.2570 13.4398 13.4398 13.6623 13.6623 k =-0.5000 0.2932 0.6673 ( 2470 PWs) bands (ev): -8.2032 -8.2032 -4.9289 -4.9289 -4.6416 -4.6416 -0.0684 -0.0684 0.3279 0.3279 2.6201 2.6201 3.1552 3.1552 3.3275 3.3275 3.5958 3.5958 4.3150 4.3150 4.9700 4.9700 7.4707 7.4707 8.9704 8.9704 10.8651 10.8651 12.0998 12.0998 12.2230 12.2230 13.3853 13.3853 13.8019 13.8019 k =-0.5000 0.2932 0.6498 ( 2462 PWs) bands (ev): -8.2709 -8.2709 -4.9910 -4.9910 -4.7035 -4.7035 0.0962 0.0962 0.2614 0.2614 2.5672 2.5672 3.2972 3.2972 3.4026 3.4026 3.6309 3.6309 4.2788 4.2788 4.9220 4.9220 7.6159 7.6159 8.9292 8.9292 10.8293 10.8293 12.1885 12.1885 12.2466 12.2466 13.3300 13.3300 13.9468 13.9468 k =-0.5000 0.2932 0.6322 ( 2464 PWs) bands (ev): -8.3384 -8.3384 -5.0531 -5.0531 -4.7654 -4.7654 0.1951 0.1951 0.2655 0.2655 2.5139 2.5139 3.4070 3.4070 3.4375 3.4375 3.7404 3.7404 4.2484 4.2484 4.8736 4.8736 7.7643 7.7643 8.8875 8.8875 10.7931 10.7931 12.1536 12.1536 12.3980 12.3980 13.2741 13.2741 14.0967 14.0967 k =-0.5000 0.2932 0.6146 ( 2466 PWs) bands (ev): -8.4057 -8.4057 -5.1150 -5.1150 -4.8271 -4.8271 0.1292 0.1292 0.4391 0.4391 2.4605 2.4605 3.3804 3.3804 3.5705 3.5705 3.8849 3.8849 4.2290 4.2290 4.8250 4.8250 7.9158 7.9158 8.8456 8.8456 10.7565 10.7565 12.1185 12.1185 12.5537 12.5537 13.2181 13.2181 14.2514 14.2514 k =-0.5000 0.2932 0.5971 ( 2472 PWs) bands (ev): -8.4724 -8.4724 -5.1766 -5.1766 -4.8884 -4.8884 0.0639 0.0639 0.6169 0.6169 2.4070 2.4070 3.3445 3.3445 3.6859 3.6859 4.0424 4.0424 4.2311 4.2311 4.7763 4.7763 8.0699 8.0699 8.8037 8.8037 10.7197 10.7197 12.0832 12.0832 12.7129 12.7129 13.1625 13.1625 14.4105 14.4105 k =-0.5000 0.2932 0.5795 ( 2468 PWs) bands (ev): -8.5384 -8.5384 -5.2376 -5.2376 -4.9492 -4.9492 -0.0006 -0.0006 0.7987 0.7987 2.3538 2.3538 3.3051 3.3051 3.7674 3.7674 4.2069 4.2069 4.2709 4.2709 4.7278 4.7278 8.2265 8.2265 8.7619 8.7619 10.6827 10.6827 12.0479 12.0479 12.8739 12.8739 13.1092 13.1092 14.5732 14.5732 k =-0.5000 0.2932 0.5620 ( 2476 PWs) bands (ev): -8.6036 -8.6036 -5.2979 -5.2979 -5.0092 -5.0092 -0.0641 -0.0641 0.9841 0.9841 2.3009 2.3009 3.2643 3.2643 3.8047 3.8047 4.3578 4.3578 4.3769 4.3769 4.6796 4.6796 8.3850 8.3850 8.7205 8.7205 10.6458 10.6458 12.0127 12.0127 13.0085 13.0085 13.0861 13.0861 14.7381 14.7381 k =-0.5000 0.2932 0.5444 ( 2480 PWs) bands (ev): -8.6678 -8.6678 -5.3573 -5.3573 -5.0685 -5.0685 -0.1267 -0.1267 1.1730 1.1730 2.2484 2.2484 3.2228 3.2228 3.8065 3.8065 4.4837 4.4837 4.5500 4.5500 4.6328 4.6328 8.5445 8.5445 8.6803 8.6803 10.6090 10.6090 11.9779 11.9779 12.9842 12.9842 13.2258 13.2258 14.8732 14.8732 k =-0.5000 0.2932 0.5268 ( 2474 PWs) bands (ev): -8.7308 -8.7308 -5.4158 -5.4158 -5.1267 -5.1267 -0.1880 -0.1880 1.3652 1.3652 2.1967 2.1967 3.1813 3.1813 3.7880 3.7880 4.5782 4.5782 4.6408 4.6408 4.7273 4.7273 8.6343 8.6343 8.7119 8.7119 10.5723 10.5723 11.9435 11.9435 12.9322 12.9322 13.3967 13.3967 14.8455 14.8455 k =-0.5000 0.2932 0.5093 ( 2482 PWs) bands (ev): -8.7926 -8.7926 -5.4732 -5.4732 -5.1838 -5.1838 -0.2481 -0.2481 1.5604 1.5604 2.1457 2.1457 3.1399 3.1399 3.7591 3.7591 4.5352 4.5352 4.8010 4.8010 4.9073 4.9073 8.5966 8.5966 8.8730 8.8730 10.5360 10.5360 11.9098 11.9098 12.8789 12.8789 13.5722 13.5722 14.8138 14.8138 k =-0.5000 0.2932 0.4917 ( 2478 PWs) bands (ev): -8.8530 -8.8530 -5.5294 -5.5294 -5.2398 -5.2398 -0.3068 -0.3068 1.7585 1.7585 2.0956 2.0956 3.0988 3.0988 3.7249 3.7249 4.4896 4.4896 4.9729 4.9729 5.0900 5.0900 8.5576 8.5576 9.0371 9.0371 10.5001 10.5001 11.8767 11.8767 12.8260 12.8260 13.7505 13.7505 14.7821 14.7821 k =-0.5000 0.2932 0.4741 ( 2474 PWs) bands (ev): -8.9120 -8.9120 -5.5843 -5.5843 -5.2944 -5.2944 -0.3640 -0.3640 1.9584 1.9584 2.0474 2.0474 3.0584 3.0584 3.6881 3.6881 4.4446 4.4446 5.1506 5.1506 5.2751 5.2751 8.5194 8.5194 9.2021 9.2021 10.4646 10.4646 11.8446 11.8446 12.7740 12.7740 13.9306 13.9306 14.7507 14.7507 k =-0.5000 0.2932 0.4566 ( 2466 PWs) bands (ev): -8.9693 -8.9693 -5.6377 -5.6377 -5.3476 -5.3476 -0.4196 -0.4196 1.9973 1.9973 2.1636 2.1636 3.0186 3.0186 3.6501 3.6501 4.4004 4.4004 5.3324 5.3324 5.4624 5.4624 8.4822 8.4822 9.3673 9.3673 10.4297 10.4297 11.8137 11.8137 12.7229 12.7229 14.1118 14.1118 14.7197 14.7197 k =-0.5000 0.2932 0.4390 ( 2466 PWs) bands (ev): -9.0251 -9.0251 -5.6897 -5.6897 -5.3993 -5.3993 -0.4736 -0.4736 1.9508 1.9508 2.3688 2.3688 2.9796 2.9796 3.6117 3.6117 4.3574 4.3574 5.5171 5.5171 5.6515 5.6515 8.4463 8.4463 9.5325 9.5325 10.3955 10.3955 11.7840 11.7840 12.6730 12.6730 14.2933 14.2933 14.6892 14.6892 k =-0.5000 0.2932 0.4215 ( 2470 PWs) bands (ev): -9.0791 -9.0791 -5.7401 -5.7401 -5.4495 -5.4495 -0.5259 -0.5259 1.9053 1.9053 2.5761 2.5761 2.9415 2.9415 3.5734 3.5734 4.3156 4.3156 5.7039 5.7039 5.8422 5.8422 8.4118 8.4118 9.6970 9.6970 10.3620 10.3620 11.7559 11.7559 12.6244 12.6244 14.4736 14.4736 14.6596 14.6596 k =-0.5000 0.2932 0.4039 ( 2466 PWs) bands (ev): -9.1313 -9.1313 -5.7889 -5.7889 -5.4981 -5.4981 -0.5765 -0.5765 1.8610 1.8610 2.7851 2.7851 2.9046 2.9046 3.5356 3.5356 4.2751 4.2751 5.8921 5.8921 6.0341 6.0341 8.3790 8.3790 9.8603 9.8603 10.3292 10.3292 11.7298 11.7298 12.5772 12.5772 14.6238 14.6238 14.6579 14.6579 k =-0.5000 0.2932 0.3863 ( 2466 PWs) bands (ev): -9.1817 -9.1817 -5.8360 -5.8360 -5.5449 -5.5449 -0.6252 -0.6252 1.8182 1.8182 2.8681 2.8681 2.9960 2.9960 3.4987 3.4987 4.2362 4.2362 6.0809 6.0809 6.2271 6.2271 8.3481 8.3481 10.0218 10.0218 10.2974 10.2974 11.7059 11.7059 12.5314 12.5314 14.5996 14.5996 14.8253 14.8253 k =-0.5000 0.2932 0.3688 ( 2466 PWs) bands (ev): -9.2301 -9.2301 -5.8813 -5.8813 -5.5900 -5.5900 -0.6720 -0.6720 1.7768 1.7768 2.8334 2.8334 3.2070 3.2070 3.4629 3.4629 4.1990 4.1990 6.2698 6.2698 6.4207 6.4207 8.3196 8.3196 10.1803 10.1803 10.2666 10.2666 11.6848 11.6848 12.4872 12.4872 14.5716 14.5716 14.9855 14.9855 k =-0.5000 0.2932 0.3512 ( 2470 PWs) bands (ev): -9.2766 -9.2766 -5.9249 -5.9249 -5.6333 -5.6333 -0.7169 -0.7169 1.7370 1.7370 2.7998 2.7998 3.4099 3.4099 3.4364 3.4364 4.1643 4.1643 6.4578 6.4578 6.6145 6.6145 8.2937 8.2937 10.2356 10.2356 10.3364 10.3364 11.6673 11.6673 12.4445 12.4445 14.5442 14.5442 15.1221 15.1221 k =-0.5000 0.2932 0.3337 ( 2470 PWs) bands (ev): -9.3211 -9.3211 -5.9665 -5.9665 -5.6747 -5.6747 -0.7599 -0.7599 1.6988 1.6988 2.7674 2.7674 3.3928 3.3928 3.6298 3.6298 4.1333 4.1333 6.6439 6.6439 6.8083 6.8083 8.2712 8.2712 10.2067 10.2067 10.4862 10.4862 11.6545 11.6545 12.4035 12.4035 14.5174 14.5174 15.2091 15.2091 k =-0.5000 0.2932 0.3161 ( 2466 PWs) bands (ev): -9.3635 -9.3635 -6.0063 -6.0063 -5.7143 -5.7143 -0.8008 -0.8008 1.6623 1.6623 2.7364 2.7364 3.3607 3.3607 3.8315 3.8315 4.1121 4.1121 6.8268 6.8268 7.0016 7.0016 8.2530 8.2530 10.1785 10.1785 10.6290 10.6290 11.6479 11.6479 12.3641 12.3641 14.4913 14.4913 15.2057 15.2057 k =-0.5000 0.2932 0.2985 ( 2466 PWs) bands (ev): -9.4038 -9.4038 -6.0441 -6.0441 -5.7519 -5.7519 -0.8398 -0.8398 1.6275 1.6275 2.7069 2.7069 3.3297 3.3297 3.9798 3.9798 4.1461 4.1461 7.0046 7.0046 7.1938 7.1938 8.2404 8.2404 10.1514 10.1514 10.7620 10.7620 11.6499 11.6499 12.3265 12.3265 14.4660 14.4660 15.0949 15.0949 k =-0.5000 0.2932 0.2810 ( 2466 PWs) bands (ev): -9.4420 -9.4420 -6.0799 -6.0799 -5.7875 -5.7875 -0.8766 -0.8766 1.5944 1.5944 2.6787 2.6787 3.3002 3.3002 3.9983 3.9983 4.3109 4.3109 7.1746 7.1746 7.3845 7.3845 8.2356 8.2356 10.1252 10.1252 10.8815 10.8815 11.6637 11.6637 12.2906 12.2906 14.4415 14.4415 14.9099 14.9099 k =-0.5000 0.2932 0.2634 ( 2468 PWs) bands (ev): -9.4780 -9.4780 -6.1137 -6.1137 -5.8211 -5.8211 -0.9113 -0.9113 1.5632 1.5632 2.6521 2.6521 3.2722 3.2722 3.9795 3.9795 4.5136 4.5136 7.3329 7.3329 7.5731 7.5731 8.2420 8.2420 10.1001 10.1001 10.9830 10.9830 11.6932 11.6932 12.2564 12.2564 14.4178 14.4178 14.6888 14.6888 k =-0.5000 0.2932 0.2459 ( 2470 PWs) bands (ev): -9.5118 -9.5118 -6.1455 -6.1455 -5.8527 -5.8527 -0.9439 -0.9439 1.5338 1.5338 2.6270 2.6270 3.2458 3.2458 3.9561 3.9561 4.7209 4.7209 7.4736 7.4736 7.7590 7.7590 8.2645 8.2645 10.0759 10.0759 11.0628 11.0628 11.7415 11.7415 12.2239 12.2239 14.3941 14.3941 14.4531 14.4531 k =-0.5000 0.2932 0.2283 ( 2470 PWs) bands (ev): -9.5434 -9.5434 -6.1751 -6.1751 -5.8822 -5.8822 -0.9744 -0.9744 1.5064 1.5064 2.6035 2.6035 3.2210 3.2210 3.9324 3.9324 4.9276 4.9276 7.5901 7.5901 7.9413 7.9413 8.3093 8.3093 10.0527 10.0527 11.1200 11.1200 11.8091 11.8091 12.1931 12.1931 14.2102 14.2102 14.3736 14.3736 k =-0.5000 0.2932 0.2107 ( 2470 PWs) bands (ev): -9.5728 -9.5728 -6.2027 -6.2027 -5.9096 -5.9096 -1.0027 -1.0027 1.4808 1.4808 2.5816 2.5816 3.1980 3.1980 3.9097 3.9097 5.1317 5.1317 7.6769 7.6769 8.1193 8.1193 8.3808 8.3808 10.0304 10.0304 11.1572 11.1572 11.8924 11.8924 12.1640 12.1640 13.9697 13.9697 14.3523 14.3523 k =-0.5000 0.2932 0.1932 ( 2466 PWs) bands (ev): -9.5999 -9.5999 -6.2282 -6.2282 -5.9349 -5.9349 -1.0287 -1.0287 1.4572 1.4572 2.5613 2.5613 3.1766 3.1766 3.8884 3.8884 5.3316 5.3316 7.7345 7.7345 8.2920 8.2920 8.4775 8.4775 10.0089 10.0089 11.1795 11.1795 11.9858 11.9858 12.1364 12.1364 13.7337 13.7337 14.3322 14.3322 k =-0.5000 0.2932 0.1756 ( 2462 PWs) bands (ev): -9.6246 -9.6246 -6.2514 -6.2514 -5.9581 -5.9581 -1.0526 -1.0526 1.4355 1.4355 2.5427 2.5427 3.1570 3.1570 3.8687 3.8687 5.5259 5.5259 7.7691 7.7691 8.4585 8.4585 8.5920 8.5920 9.9881 9.9881 11.1917 11.1917 12.0832 12.0832 12.1108 12.1108 13.5054 13.5054 14.3130 14.3130 k =-0.5000 0.2932 0.1580 ( 2462 PWs) bands (ev): -9.6471 -9.6471 -6.2726 -6.2726 -5.9791 -5.9791 -1.0743 -1.0743 1.4158 1.4158 2.5258 2.5258 3.1392 3.1392 3.8507 3.8507 5.7131 5.7131 7.7882 7.7882 8.6175 8.6175 8.7154 8.7154 9.9679 9.9679 11.1974 11.1974 12.0845 12.0845 12.1824 12.1824 13.2875 13.2875 14.2948 14.2948 k =-0.5000 0.2932 0.1405 ( 2466 PWs) bands (ev): -9.6673 -9.6673 -6.2915 -6.2915 -5.9979 -5.9979 -1.0937 -1.0937 1.3982 1.3982 2.5106 2.5106 3.1232 3.1232 3.8344 3.8344 5.8911 5.8911 7.7978 7.7978 8.7680 8.7680 8.8404 8.8404 9.9480 9.9480 11.1991 11.1991 12.0601 12.0601 12.2771 12.2771 13.0829 13.0829 14.2778 14.2778 k =-0.5000 0.2932 0.1229 ( 2460 PWs) bands (ev): -9.6851 -9.6851 -6.3083 -6.3083 -6.0146 -6.0146 -1.1108 -1.1108 1.3826 1.3826 2.4972 2.4972 3.1090 3.1090 3.8200 3.8200 6.0580 6.0580 7.8018 7.8018 8.9086 8.9086 8.9613 8.9613 9.9283 9.9283 11.1985 11.1985 12.0358 12.0358 12.3660 12.3660 12.8946 12.8946 14.2620 14.2620 k =-0.5000 0.2932 0.1054 ( 2460 PWs) bands (ev): -9.7005 -9.7005 -6.3228 -6.3228 -6.0291 -6.0291 -1.1257 -1.1257 1.3690 1.3690 2.4855 2.4855 3.0967 3.0967 3.8075 3.8075 6.2113 6.2113 7.8026 7.8026 9.0380 9.0380 9.0740 9.0740 9.9084 9.9084 11.1967 11.1967 12.0109 12.0109 12.4470 12.4470 12.7261 12.7261 14.2477 14.2477 k =-0.5000 0.2932 0.0878 ( 2460 PWs) bands (ev): -9.7136 -9.7136 -6.3351 -6.3351 -6.0413 -6.0413 -1.1383 -1.1383 1.3575 1.3575 2.4756 2.4756 3.0862 3.0862 3.7968 3.7968 6.3483 6.3483 7.8018 7.8018 9.1546 9.1546 9.1752 9.1752 9.8883 9.8883 11.1944 11.1944 11.9846 11.9846 12.5185 12.5185 12.5812 12.5812 14.2349 14.2349 k =-0.5000 0.2932 0.0702 ( 2462 PWs) bands (ev): -9.7244 -9.7244 -6.3452 -6.3452 -6.0513 -6.0513 -1.1486 -1.1486 1.3481 1.3481 2.4675 2.4675 3.0777 3.0777 3.7881 3.7881 6.4662 6.4662 7.8003 7.8003 9.2569 9.2569 9.2621 9.2621 9.8678 9.8678 11.1920 11.1920 11.9564 11.9564 12.4633 12.4633 12.5791 12.5791 14.2239 14.2239 k =-0.5000 0.2932 0.0527 ( 2468 PWs) bands (ev): -9.7327 -9.7327 -6.3531 -6.3531 -6.0592 -6.0592 -1.1567 -1.1567 1.3408 1.3408 2.4612 2.4612 3.0710 3.0710 3.7812 3.7812 6.5618 6.5618 7.7987 7.7987 9.3322 9.3322 9.3428 9.3428 9.8474 9.8474 11.1898 11.1898 11.9273 11.9273 12.3747 12.3747 12.6275 12.6275 14.2150 14.2150 k =-0.5000 0.2932 0.0351 ( 2472 PWs) bands (ev): -9.7387 -9.7387 -6.3587 -6.3587 -6.0647 -6.0647 -1.1624 -1.1624 1.3355 1.3355 2.4567 2.4567 3.0662 3.0662 3.7764 3.7764 6.6326 6.6326 7.7973 7.7973 9.3838 9.3838 9.4096 9.4096 9.8286 9.8286 11.1882 11.1882 11.9005 11.9005 12.3150 12.3150 12.6628 12.6628 14.2085 14.2085 k =-0.5000 0.2932 0.0176 ( 2468 PWs) bands (ev): -9.7423 -9.7423 -6.3621 -6.3621 -6.0681 -6.0681 -1.1659 -1.1659 1.3324 1.3324 2.4539 2.4539 3.0634 3.0634 3.7734 3.7734 6.6761 6.6761 7.7964 7.7964 9.4154 9.4154 9.4531 9.4531 9.8143 9.8143 11.1871 11.1871 11.8812 11.8812 12.2812 12.2812 12.6843 12.6843 14.2044 14.2044 k =-0.5000 0.2932 0.0000 ( 2464 PWs) bands (ev): -9.7435 -9.7435 -6.3632 -6.3632 -6.0692 -6.0692 -1.1670 -1.1670 1.3313 1.3313 2.4530 2.4530 3.0624 3.0624 3.7725 3.7725 6.6907 6.6907 7.7961 7.7961 9.4261 9.4261 9.4684 9.4684 9.8088 9.8088 11.1868 11.1868 11.8742 11.8742 12.2704 12.2704 12.6915 12.6915 14.2031 14.2031 k = 0.0000 0.0000 1.0010 ( 2424 PWs) bands (ev): -7.6502 -7.6502 -3.3091 -3.3091 -2.9352 -2.9352 -2.0667 -2.0667 -0.9052 -0.9052 1.3185 1.3185 2.1264 2.1264 2.3299 2.3299 4.1288 4.1288 4.7581 4.7581 5.7223 5.7223 8.3666 8.3666 8.8704 8.8704 10.3767 10.3767 10.8652 10.8652 12.2722 12.2722 12.3861 12.3861 13.1956 13.1956 k =-0.0152 0.0089 1.0010 ( 2428 PWs) bands (ev): -7.6496 -7.6496 -3.3109 -3.3109 -2.9386 -2.9386 -2.0663 -2.0663 -0.9012 -0.9012 1.3241 1.3241 2.1253 2.1253 2.3279 2.3279 4.1262 4.1262 4.7606 4.7606 5.7261 5.7261 8.3446 8.3446 8.8744 8.8744 10.3950 10.3950 10.8710 10.8710 12.2657 12.2657 12.3714 12.3714 13.2036 13.2036 k =-0.0303 0.0178 1.0010 ( 2432 PWs) bands (ev): -7.6478 -7.6478 -3.3164 -3.3164 -2.9490 -2.9490 -2.0649 -2.0649 -0.8892 -0.8892 1.3408 1.3408 2.1220 2.1220 2.3222 2.3222 4.1184 4.1184 4.7679 4.7679 5.7373 5.7373 8.2814 8.2814 8.8864 8.8864 10.4453 10.4453 10.8899 10.8899 12.2472 12.2472 12.3281 12.3281 13.2268 13.2268 k =-0.0455 0.0267 1.0010 ( 2428 PWs) bands (ev): -7.6449 -7.6449 -3.3253 -3.3253 -2.9660 -2.9660 -2.0626 -2.0626 -0.8693 -0.8693 1.3683 1.3683 2.1167 2.1167 2.3127 2.3127 4.1058 4.1058 4.7799 4.7799 5.7557 5.7557 8.1837 8.1837 8.9063 8.9063 10.5155 10.5155 10.9275 10.9275 12.2183 12.2183 12.2588 12.2588 13.2633 13.2633 k =-0.0606 0.0355 1.0010 ( 2436 PWs) bands (ev): -7.6407 -7.6407 -3.3375 -3.3375 -2.9894 -2.9894 -2.0594 -2.0594 -0.8418 -0.8418 1.4065 1.4065 2.1094 2.1094 2.2996 2.2996 4.0888 4.0888 4.7967 4.7967 5.7806 5.7806 8.0596 8.0596 8.9340 8.9340 10.5884 10.5884 10.9927 10.9927 12.1664 12.1664 12.1819 12.1819 13.3105 13.3105 k =-0.0758 0.0444 1.0010 ( 2436 PWs) bands (ev): -7.6355 -7.6355 -3.3527 -3.3527 -3.0188 -3.0188 -2.0554 -2.0554 -0.8069 -0.8069 1.4547 1.4547 2.1002 2.1002 2.2830 2.2830 4.0679 4.0679 4.8178 4.8178 5.8114 5.8114 7.9164 7.9164 8.9693 8.9693 10.6492 10.6492 11.0929 11.0929 12.0558 12.0558 12.1393 12.1393 13.3661 13.3661 k =-0.0909 0.0533 1.0010 ( 2436 PWs) bands (ev): -7.6291 -7.6291 -3.3706 -3.3706 -3.0535 -3.0535 -2.0505 -2.0505 -0.7651 -0.7651 1.5126 1.5126 2.0892 2.0892 2.2631 2.2631 4.0439 4.0439 4.8433 4.8433 5.8472 5.8472 7.7598 7.7598 9.0119 9.0119 10.6939 10.6939 11.2265 11.2265 11.9300 11.9300 12.0933 12.0933 13.4274 13.4274 k =-0.1061 0.0622 1.0010 ( 2436 PWs) bands (ev): -7.6216 -7.6216 -3.3908 -3.3908 -3.0932 -3.0932 -2.0447 -2.0447 -0.7167 -0.7167 1.5794 1.5794 2.0767 2.0767 2.2402 2.2402 4.0175 4.0175 4.8728 4.8728 5.8872 5.8872 7.5938 7.5938 9.0615 9.0615 10.7269 10.7269 11.3846 11.3846 11.7928 11.7928 12.0454 12.0454 13.4917 13.4917 k =-0.1212 0.0711 1.0010 ( 2436 PWs) bands (ev): -7.6132 -7.6132 -3.4130 -3.4130 -3.1370 -3.1370 -2.0382 -2.0382 -0.6622 -0.6622 1.6546 1.6546 2.0628 2.0628 2.2146 2.2146 3.9891 3.9891 4.9060 4.9060 5.9304 5.9304 7.4216 7.4216 9.1177 9.1177 10.7533 10.7533 11.5585 11.5585 11.6477 11.6477 11.9968 11.9968 13.5324 13.5324 k =-0.1364 0.0800 1.0010 ( 2432 PWs) bands (ev): -7.6037 -7.6037 -3.4368 -3.4368 -3.1846 -3.1846 -2.0310 -2.0310 -0.6019 -0.6019 1.7374 1.7374 2.0478 2.0478 2.1864 2.1864 3.9596 3.9596 4.9427 4.9427 5.9758 5.9758 7.2453 7.2453 9.1802 9.1802 10.7762 10.7762 11.4950 11.4950 11.7447 11.7447 11.9486 11.9486 13.5075 13.5075 k =-0.1515 0.0888 1.0010 ( 2436 PWs) bands (ev): -7.5933 -7.5933 -3.4617 -3.4617 -3.2351 -3.2351 -2.0231 -2.0231 -0.5363 -0.5363 1.8272 1.8272 2.0318 2.0318 2.1561 2.1561 3.9295 3.9295 4.9824 4.9824 6.0225 6.0225 7.0665 7.0665 9.2486 9.2486 10.7976 10.7976 11.3401 11.3401 11.9016 11.9016 11.9364 11.9364 13.4752 13.4752 k =-0.1667 0.0977 1.0010 ( 2432 PWs) bands (ev): -7.5820 -7.5820 -3.4876 -3.4876 -3.2881 -3.2881 -2.0145 -2.0145 -0.4658 -0.4658 1.9229 1.9229 2.0151 2.0151 2.1240 2.1240 3.8994 3.8994 5.0250 5.0250 6.0694 6.0694 6.8866 6.8866 9.3222 9.3222 10.8182 10.8182 11.1838 11.1838 11.8567 11.8567 12.1321 12.1321 13.4407 13.4407 k =-0.1818 0.1066 1.0010 ( 2430 PWs) bands (ev): -7.5700 -7.5700 -3.5141 -3.5141 -3.3429 -3.3429 -2.0054 -2.0054 -0.3909 -0.3909 1.9964 1.9964 2.0249 2.0249 2.0911 2.0911 3.8699 3.8699 5.0699 5.0699 6.1155 6.1155 6.7064 6.7064 9.4005 9.4005 10.8374 10.8374 11.0291 11.0291 11.8142 11.8142 12.3295 12.3295 13.4052 13.4052 k =-0.1970 0.1155 1.0010 ( 2438 PWs) bands (ev): -7.5573 -7.5573 -3.5408 -3.5408 -3.3990 -3.3990 -1.9958 -1.9958 -0.3120 -0.3120 1.9794 1.9794 2.0535 2.0535 2.1330 2.1330 3.8416 3.8416 5.1169 5.1169 6.1595 6.1595 6.5270 6.5270 9.4830 9.4830 10.8359 10.8359 10.8971 10.8971 11.7749 11.7749 12.5260 12.5260 13.3705 13.3705 k =-0.2121 0.1244 1.0010 ( 2438 PWs) bands (ev): -7.5439 -7.5439 -3.5675 -3.5675 -3.4558 -3.4558 -1.9857 -1.9857 -0.2294 -0.2294 1.9614 1.9614 2.0184 2.0184 2.2424 2.2424 3.8150 3.8150 5.1655 5.1655 6.1990 6.1990 6.3503 6.3503 9.5688 9.5688 10.7108 10.7108 10.8924 10.8924 11.7393 11.7393 12.7171 12.7171 13.3401 13.3401 k =-0.2273 0.1333 1.0010 ( 2446 PWs) bands (ev): -7.5300 -7.5300 -3.5940 -3.5940 -3.5129 -3.5129 -1.9754 -1.9754 -0.1437 -0.1437 1.9432 1.9432 1.9822 1.9822 2.3554 2.3554 3.7910 3.7910 5.2153 5.2153 6.1629 6.1629 6.2466 6.2466 9.6573 9.6573 10.5653 10.5653 10.9132 10.9132 11.7080 11.7080 12.8924 12.8924 13.3240 13.3240 k =-0.2424 0.1422 1.0010 ( 2446 PWs) bands (ev): -7.5157 -7.5157 -3.6200 -3.6200 -3.5697 -3.5697 -1.9647 -1.9647 -0.0551 -0.0551 1.9248 1.9248 1.9461 1.9461 2.4703 2.4703 3.7704 3.7704 5.2660 5.2660 5.9928 5.9928 6.2739 6.2739 9.7474 9.7474 10.4239 10.4239 10.9365 10.9365 11.6818 11.6818 13.0213 13.0213 13.3521 13.3521 k =-0.2576 0.1510 1.0010 ( 2446 PWs) bands (ev): -7.5011 -7.5011 -3.6454 -3.6454 -3.6257 -3.6257 -1.9539 -1.9539 0.0357 0.0357 1.9035 1.9035 1.9132 1.9132 2.5858 2.5858 3.7542 3.7542 5.3169 5.3169 5.8215 5.8215 6.2986 6.2986 9.8382 9.8382 10.2892 10.2892 10.9609 10.9609 11.6614 11.6614 13.0655 13.0655 13.4620 13.4620 k =-0.2727 0.1599 1.0010 ( 2448 PWs) bands (ev): -7.4864 -7.4864 -3.6812 -3.6812 -3.6694 -3.6694 -1.9429 -1.9429 0.1285 0.1285 1.8709 1.8709 1.8925 1.8925 2.6999 2.6999 3.7441 3.7441 5.3673 5.3673 5.6533 5.6533 6.3159 6.3159 9.9282 9.9282 10.1629 10.1629 10.9860 10.9860 11.6477 11.6477 13.0535 13.0535 13.5418 13.5418 k =-0.2879 0.1688 1.0010 ( 2448 PWs) bands (ev): -7.4716 -7.4716 -3.7345 -3.7345 -3.6931 -3.6931 -1.9320 -1.9320 0.2227 0.2227 1.8359 1.8359 1.8754 1.8754 2.8102 2.8102 3.7421 3.7421 5.4119 5.4119 5.4941 5.4941 6.3242 6.3242 10.0114 10.0114 10.0508 10.0508 11.0117 11.0117 11.6416 11.6416 13.0217 13.0217 13.4137 13.4137 k =-0.3030 0.1777 1.0010 ( 2444 PWs) bands (ev): -7.4569 -7.4569 -3.7861 -3.7861 -3.7155 -3.7155 -1.9213 -1.9213 0.3177 0.3177 1.8016 1.8016 1.8593 1.8593 2.9136 2.9136 3.7511 3.7511 5.3196 5.3196 5.4750 5.4750 6.3222 6.3222 9.9363 9.9363 10.1044 10.1044 11.0377 11.0377 11.6442 11.6442 12.9829 12.9829 13.2905 13.2905 k =-0.3182 0.1866 1.0010 ( 2440 PWs) bands (ev): -7.4424 -7.4424 -3.8355 -3.8355 -3.7367 -3.7367 -1.9107 -1.9107 0.4130 0.4130 1.7684 1.7684 1.8441 1.8441 3.0061 3.0061 3.7749 3.7749 5.1652 5.1652 5.5215 5.5215 6.3090 6.3090 9.8412 9.8412 10.1845 10.1845 11.0639 11.0639 11.6565 11.6565 12.9414 12.9414 13.1739 13.1739 k =-0.3333 0.1955 1.0010 ( 2428 PWs) bands (ev): -7.4283 -7.4283 -3.8823 -3.8823 -3.7564 -3.7564 -1.9005 -1.9005 0.5079 0.5079 1.7368 1.7368 1.8298 1.8298 3.0836 3.0836 3.8170 3.8170 5.0143 5.0143 5.5681 5.5681 6.2837 6.2837 9.7574 9.7574 10.2588 10.2588 11.0900 11.0900 11.6797 11.6797 12.8994 12.8994 13.0644 13.0644 k =-0.3485 0.2043 1.0010 ( 2428 PWs) bands (ev): -7.4147 -7.4147 -3.9262 -3.9262 -3.7747 -3.7747 -1.8907 -1.8907 0.6015 0.6015 1.7070 1.7070 1.8165 1.8165 3.1435 3.1435 3.8796 3.8796 4.8694 4.8694 5.6128 5.6128 6.2461 6.2461 9.6854 9.6854 10.3256 10.3256 11.1158 11.1158 11.7143 11.7143 12.8579 12.8579 12.9624 12.9624 k =-0.3636 0.2132 1.0010 ( 2426 PWs) bands (ev): -7.4019 -7.4019 -3.9669 -3.9669 -3.7915 -3.7915 -1.8815 -1.8815 0.6930 0.6930 1.6792 1.6792 1.8043 1.8043 3.1860 3.1860 3.9621 3.9621 4.7314 4.7314 5.6551 5.6551 6.1961 6.1961 9.6251 9.6251 10.3841 10.3841 11.1409 11.1409 11.7606 11.7606 12.8176 12.8176 12.8684 12.8684 k =-0.3788 0.2221 1.0010 ( 2430 PWs) bands (ev): -7.3898 -7.3898 -4.0042 -4.0042 -3.8067 -3.8067 -1.8729 -1.8729 0.7813 0.7813 1.6537 1.6537 1.7932 1.7932 3.2139 3.2139 4.0609 4.0609 4.6015 4.6015 5.6944 5.6944 6.1343 6.1343 9.5760 9.5760 10.4338 10.4338 11.1649 11.1649 11.8182 11.8182 12.7794 12.7794 12.7830 12.7830 k =-0.3939 0.2310 1.0010 ( 2434 PWs) bands (ev): -7.3788 -7.3788 -4.0377 -4.0377 -3.8202 -3.8202 -1.8651 -1.8651 0.8652 0.8652 1.6307 1.6307 1.7833 1.7833 3.2311 3.2311 4.1714 4.1714 4.4812 4.4812 5.7302 5.7302 6.0618 6.0618 9.5371 9.5371 10.4747 10.4747 11.1876 11.1876 11.8858 11.8858 12.7062 12.7062 12.7439 12.7439 k =-0.4091 0.2399 1.0010 ( 2438 PWs) bands (ev): -7.3689 -7.3689 -4.0673 -4.0673 -3.8321 -3.8321 -1.8581 -1.8581 0.9431 0.9431 1.6103 1.6103 1.7745 1.7745 3.2410 3.2410 4.2875 4.2875 4.3733 4.3733 5.7620 5.7620 5.9801 5.9801 9.5071 9.5071 10.5075 10.5075 11.2086 11.2086 11.9614 11.9614 12.6389 12.6389 12.7115 12.7115 k =-0.4242 0.2488 1.0010 ( 2438 PWs) bands (ev): -7.3603 -7.3603 -4.0927 -4.0927 -3.8421 -3.8421 -1.8520 -1.8520 1.0136 1.0136 1.5928 1.5928 1.7671 1.7671 3.2463 3.2463 4.2718 4.2718 4.4126 4.4126 5.7888 5.7888 5.8920 5.8920 9.4849 9.4849 10.5330 10.5330 11.2273 11.2273 12.0419 12.0419 12.5812 12.5812 12.6829 12.6829 k =-0.4394 0.2577 1.0010 ( 2438 PWs) bands (ev): -7.3531 -7.3531 -4.1137 -4.1137 -3.8504 -3.8504 -1.8469 -1.8469 1.0748 1.0748 1.5783 1.5783 1.7610 1.7610 3.2489 3.2489 4.1895 4.1895 4.5316 4.5316 5.7885 5.7885 5.8223 5.8223 9.4690 9.4690 10.5522 10.5522 11.2434 11.2434 12.1236 12.1236 12.5335 12.5335 12.6586 12.6586 k =-0.4545 0.2665 1.0010 ( 2438 PWs) bands (ev): -7.3474 -7.3474 -4.1303 -4.1303 -3.8569 -3.8569 -1.8429 -1.8429 1.1249 1.1249 1.5669 1.5669 1.7562 1.7562 3.2499 3.2499 4.1224 4.1224 4.6449 4.6449 5.7025 5.7025 5.8342 5.8342 9.4582 9.4582 10.5660 10.5660 11.2564 11.2564 12.2008 12.2008 12.4961 12.4961 12.6392 12.6392 k =-0.4697 0.2754 1.0010 ( 2438 PWs) bands (ev): -7.3432 -7.3432 -4.1422 -4.1422 -3.8615 -3.8615 -1.8400 -1.8400 1.1622 1.1622 1.5586 1.5586 1.7527 1.7527 3.2502 3.2502 4.0730 4.0730 4.7440 4.7440 5.6188 5.6188 5.8469 5.8469 9.4513 9.4513 10.5753 10.5753 11.2660 11.2660 12.2666 12.2666 12.4693 12.4693 12.6249 12.6249 k =-0.4848 0.2843 1.0010 ( 2442 PWs) bands (ev): -7.3407 -7.3407 -4.1494 -4.1494 -3.8643 -3.8643 -1.8382 -1.8382 1.1852 1.1852 1.5537 1.5537 1.7506 1.7506 3.2501 3.2501 4.0426 4.0426 4.8159 4.8159 5.5560 5.5560 5.8548 5.8548 9.4475 9.4475 10.5806 10.5806 11.2719 11.2719 12.3120 12.3120 12.4532 12.4532 12.6163 12.6163 k =-0.5000 0.2932 1.0010 ( 2452 PWs) bands (ev): -7.3398 -7.3398 -4.1518 -4.1518 -3.8653 -3.8653 -1.8376 -1.8376 1.1930 1.1930 1.5520 1.5520 1.7499 1.7499 3.2501 3.2501 4.0324 4.0324 4.8431 4.8431 5.5318 5.5318 5.8575 5.8575 9.4463 9.4463 10.5824 10.5824 11.2739 11.2739 12.3283 12.3283 12.4479 12.4479 12.6134 12.6134 Writing output data file SiS4.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 109.22s CPU 111.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 109.22s CPU 111.30s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 460 calls) cegterg : 99.94s CPU 101.44s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 55.06s CPU 56.24s WALL ( 8503 calls) s_psi : 5.00s CPU 5.13s WALL ( 8503 calls) g_psi : 0.12s CPU 0.13s WALL ( 7569 calls) cdiaghg : 38.33s CPU 38.67s WALL ( 8029 calls) cegterg:over : 3.07s CPU 3.07s WALL ( 7569 calls) cegterg:upda : 2.14s CPU 2.15s WALL ( 7569 calls) cegterg:last : 1.13s CPU 1.23s WALL ( 1442 calls) cdiaghg:chol : 1.99s CPU 2.09s WALL ( 8029 calls) cdiaghg:inve : 1.17s CPU 1.21s WALL ( 8029 calls) cdiaghg:para : 2.08s CPU 2.14s WALL ( 16058 calls) Called by h_psi: h_psi:vloc : 44.84s CPU 45.80s WALL ( 8503 calls) h_psi:vnl : 10.07s CPU 10.34s WALL ( 8503 calls) add_vuspsi : 5.66s CPU 5.80s WALL ( 8503 calls) General routines calbec : 4.39s CPU 4.52s WALL ( 8503 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 42.55s CPU 43.64s WALL ( 707972 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.22s WALL ( 920 calls) Parallel routines fft_scatter : 17.17s CPU 17.63s WALL ( 707995 calls) PWSCF : 2m 2.12s CPU 2m25.52s WALL This run was terminated on: 21:14:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=