Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:46: 1 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: ./CdxHOx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 15 4 2543 397 64 Max 54 16 5 2550 414 73 Sum 1921 559 163 91703 14625 2475 bravais-lattice index = 14 lattice parameter (alat) = 6.6045 a.u. unit-cell volume = 335.9304 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.604479 celldm(2)= 1.000000 celldm(3)= 1.346489 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.346489 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.742672 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Cd 12.00 112.41100 Cd( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -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 = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 395 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0096154 0.0055514 -0.0000000), wk = 0.0025316 k( 3) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0025316 k( 4) = ( 0.0288462 0.0166543 -0.0000000), wk = 0.0025316 k( 5) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0025316 k( 6) = ( 0.0480769 0.0277572 -0.0000000), wk = 0.0025316 k( 7) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0025316 k( 8) = ( 0.0673077 0.0388601 -0.0000000), wk = 0.0025316 k( 9) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0025316 k( 10) = ( 0.0865385 0.0499630 -0.0000000), wk = 0.0025316 k( 11) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0025316 k( 12) = ( 0.1057692 0.0610659 -0.0000000), wk = 0.0025316 k( 13) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0025316 k( 14) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0025316 k( 15) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0025316 k( 16) = ( 0.1442308 0.0832717 -0.0000000), wk = 0.0025316 k( 17) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0025316 k( 18) = ( 0.1634615 0.0943746 -0.0000000), wk = 0.0025316 k( 19) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0025316 k( 20) = ( 0.1826923 0.1054775 -0.0000000), wk = 0.0025316 k( 21) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0025316 k( 22) = ( 0.2019231 0.1165803 -0.0000000), wk = 0.0025316 k( 23) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0025316 k( 24) = ( 0.2211539 0.1276832 -0.0000000), wk = 0.0025316 k( 25) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0025316 k( 26) = ( 0.2403846 0.1387861 -0.0000000), wk = 0.0025316 k( 27) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0025316 k( 28) = ( 0.2596154 0.1498890 -0.0000000), wk = 0.0025316 k( 29) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0025316 k( 30) = ( 0.2788462 0.1609919 -0.0000000), wk = 0.0025316 k( 31) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0025316 k( 32) = ( 0.2980769 0.1720948 -0.0000000), wk = 0.0025316 k( 33) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0025316 k( 34) = ( 0.3173077 0.1831977 -0.0000000), wk = 0.0025316 k( 35) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0025316 k( 36) = ( 0.3365385 0.1943006 -0.0000000), wk = 0.0025316 k( 37) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0025316 k( 38) = ( 0.3557692 0.2054035 -0.0000000), wk = 0.0025316 k( 39) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0025316 k( 40) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0025316 k( 41) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0025316 k( 42) = ( 0.3942308 0.2276092 -0.0000000), wk = 0.0025316 k( 43) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0025316 k( 44) = ( 0.4134615 0.2387121 -0.0000000), wk = 0.0025316 k( 45) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0025316 k( 46) = ( 0.4326923 0.2498150 -0.0000000), wk = 0.0025316 k( 47) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0025316 k( 48) = ( 0.4519231 0.2609179 -0.0000000), wk = 0.0025316 k( 49) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0025316 k( 50) = ( 0.4711538 0.2720208 -0.0000000), wk = 0.0025316 k( 51) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0025316 k( 52) = ( 0.4903846 0.2831237 -0.0000000), wk = 0.0025316 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 55) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0025316 k( 56) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0025316 k( 57) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0025316 k( 58) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0025316 k( 59) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0025316 k( 60) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0025316 k( 61) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0025316 k( 62) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0025316 k( 63) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0025316 k( 64) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0025316 k( 65) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0025316 k( 66) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0025316 k( 67) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0025316 k( 68) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0025316 k( 69) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0025316 k( 70) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0025316 k( 71) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0025316 k( 72) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0025316 k( 73) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0025316 k( 74) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0025316 k( 75) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0025316 k( 76) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0025316 k( 77) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0025316 k( 78) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0025316 k( 79) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0025316 k( 80) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0025316 k( 81) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0025316 k( 82) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0025316 k( 83) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0025316 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 85) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 86) = ( 0.3277778 0.5677278 -0.0000000), wk = 0.0025316 k( 87) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0025316 k( 88) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0025316 k( 89) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0025316 k( 90) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0025316 k( 91) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0025316 k( 92) = ( 0.2944444 0.5099927 -0.0000000), wk = 0.0025316 k( 93) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0025316 k( 94) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0025316 k( 95) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0025316 k( 96) = ( 0.2722222 0.4715027 -0.0000000), wk = 0.0025316 k( 97) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0025316 k( 98) = ( 0.2611111 0.4522577 -0.0000000), wk = 0.0025316 k( 99) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0025316 k( 100) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0025316 k( 101) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0025316 k( 102) = ( 0.2388889 0.4137677 -0.0000000), wk = 0.0025316 k( 103) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0025316 k( 104) = ( 0.2277778 0.3945227 -0.0000000), wk = 0.0025316 k( 105) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0025316 k( 106) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0025316 k( 107) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0025316 k( 108) = ( 0.2055556 0.3560327 -0.0000000), wk = 0.0025316 k( 109) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0025316 k( 110) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0025316 k( 111) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0025316 k( 112) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0025316 k( 113) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0025316 k( 114) = ( 0.1722222 0.2982976 -0.0000000), wk = 0.0025316 k( 115) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025316 k( 116) = ( 0.1611111 0.2790526 -0.0000000), wk = 0.0025316 k( 117) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0025316 k( 118) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0025316 k( 119) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0025316 k( 120) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0025316 k( 121) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0025316 k( 122) = ( 0.1277778 0.2213176 -0.0000000), wk = 0.0025316 k( 123) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0025316 k( 124) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0025316 k( 125) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0025316 k( 126) = ( 0.1055556 0.1828276 -0.0000000), wk = 0.0025316 k( 127) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0025316 k( 128) = ( 0.0944444 0.1635826 -0.0000000), wk = 0.0025316 k( 129) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0025316 k( 130) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0025316 k( 131) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0025316 k( 132) = ( 0.0722222 0.1250926 -0.0000000), wk = 0.0025316 k( 133) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0025316 k( 134) = ( 0.0611111 0.1058475 -0.0000000), wk = 0.0025316 k( 135) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0025316 k( 136) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0025316 k( 137) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0025316 k( 138) = ( 0.0388889 0.0673575 -0.0000000), wk = 0.0025316 k( 139) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0025316 k( 140) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0025316 k( 141) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0025316 k( 142) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0025316 k( 143) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0025316 k( 144) = ( 0.0055556 0.0096225 -0.0000000), wk = 0.0025316 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 147) = ( 0.0000000 0.0000000 0.0109216), wk = 0.0025316 k( 148) = ( 0.0000000 0.0000000 0.0218433), wk = 0.0025316 k( 149) = ( 0.0000000 0.0000000 0.0327649), wk = 0.0025316 k( 150) = ( 0.0000000 0.0000000 0.0436866), wk = 0.0025316 k( 151) = ( 0.0000000 0.0000000 0.0546082), wk = 0.0025316 k( 152) = ( 0.0000000 0.0000000 0.0655299), wk = 0.0025316 k( 153) = ( 0.0000000 0.0000000 0.0764515), wk = 0.0025316 k( 154) = ( 0.0000000 0.0000000 0.0873732), wk = 0.0025316 k( 155) = ( 0.0000000 0.0000000 0.0982948), wk = 0.0025316 k( 156) = ( 0.0000000 0.0000000 0.1092165), wk = 0.0025316 k( 157) = ( 0.0000000 0.0000000 0.1201381), wk = 0.0025316 k( 158) = ( 0.0000000 0.0000000 0.1310598), wk = 0.0025316 k( 159) = ( 0.0000000 0.0000000 0.1419814), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 0.1529030), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 0.1638247), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.1747463), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.1856680), wk = 0.0025316 k( 164) = ( 0.0000000 0.0000000 0.1965896), wk = 0.0025316 k( 165) = ( 0.0000000 0.0000000 0.2075113), wk = 0.0025316 k( 166) = ( 0.0000000 0.0000000 0.2184329), wk = 0.0025316 k( 167) = ( 0.0000000 0.0000000 0.2293546), wk = 0.0025316 k( 168) = ( 0.0000000 0.0000000 0.2402762), wk = 0.0025316 k( 169) = ( 0.0000000 0.0000000 0.2511979), wk = 0.0025316 k( 170) = ( 0.0000000 0.0000000 0.2621195), wk = 0.0025316 k( 171) = ( 0.0000000 0.0000000 0.2730412), wk = 0.0025316 k( 172) = ( 0.0000000 0.0000000 0.2839628), wk = 0.0025316 k( 173) = ( 0.0000000 0.0000000 0.2948845), wk = 0.0025316 k( 174) = ( 0.0000000 0.0000000 0.3058061), wk = 0.0025316 k( 175) = ( 0.0000000 0.0000000 0.3167278), wk = 0.0025316 k( 176) = ( 0.0000000 0.0000000 0.3276494), wk = 0.0025316 k( 177) = ( 0.0000000 0.0000000 0.3385710), wk = 0.0025316 k( 178) = ( 0.0000000 0.0000000 0.3494927), wk = 0.0025316 k( 179) = ( 0.0000000 0.0000000 0.3604143), wk = 0.0025316 k( 180) = ( 0.0000000 0.0000000 0.3713360), wk = 0.0025316 k( 181) = ( 0.0000000 0.0000000 0.3713360), wk = 0.0025316 k( 182) = ( 0.0096154 0.0055514 0.3713360), wk = 0.0025316 k( 183) = ( 0.0192308 0.0111029 0.3713360), wk = 0.0025316 k( 184) = ( 0.0288462 0.0166543 0.3713360), wk = 0.0025316 k( 185) = ( 0.0384615 0.0222058 0.3713360), wk = 0.0025316 k( 186) = ( 0.0480769 0.0277572 0.3713360), wk = 0.0025316 k( 187) = ( 0.0576923 0.0333087 0.3713360), wk = 0.0025316 k( 188) = ( 0.0673077 0.0388601 0.3713360), wk = 0.0025316 k( 189) = ( 0.0769231 0.0444116 0.3713360), wk = 0.0025316 k( 190) = ( 0.0865385 0.0499630 0.3713360), wk = 0.0025316 k( 191) = ( 0.0961538 0.0555145 0.3713360), wk = 0.0025316 k( 192) = ( 0.1057692 0.0610659 0.3713360), wk = 0.0025316 k( 193) = ( 0.1153846 0.0666173 0.3713360), wk = 0.0025316 k( 194) = ( 0.1250000 0.0721688 0.3713360), wk = 0.0025316 k( 195) = ( 0.1346154 0.0777202 0.3713360), wk = 0.0025316 k( 196) = ( 0.1442308 0.0832717 0.3713360), wk = 0.0025316 k( 197) = ( 0.1538461 0.0888231 0.3713360), wk = 0.0025316 k( 198) = ( 0.1634615 0.0943746 0.3713360), wk = 0.0025316 k( 199) = ( 0.1730769 0.0999260 0.3713360), wk = 0.0025316 k( 200) = ( 0.1826923 0.1054775 0.3713360), wk = 0.0025316 k( 201) = ( 0.1923077 0.1110289 0.3713360), wk = 0.0025316 k( 202) = ( 0.2019231 0.1165803 0.3713360), wk = 0.0025316 k( 203) = ( 0.2115385 0.1221318 0.3713360), wk = 0.0025316 k( 204) = ( 0.2211539 0.1276832 0.3713360), wk = 0.0025316 k( 205) = ( 0.2307692 0.1332347 0.3713360), wk = 0.0025316 k( 206) = ( 0.2403846 0.1387861 0.3713360), wk = 0.0025316 k( 207) = ( 0.2500000 0.1443376 0.3713360), wk = 0.0025316 k( 208) = ( 0.2596154 0.1498890 0.3713360), wk = 0.0025316 k( 209) = ( 0.2692308 0.1554405 0.3713360), wk = 0.0025316 k( 210) = ( 0.2788462 0.1609919 0.3713360), wk = 0.0025316 k( 211) = ( 0.2884615 0.1665433 0.3713360), wk = 0.0025316 k( 212) = ( 0.2980769 0.1720948 0.3713360), wk = 0.0025316 k( 213) = ( 0.3076923 0.1776462 0.3713360), wk = 0.0025316 k( 214) = ( 0.3173077 0.1831977 0.3713360), wk = 0.0025316 k( 215) = ( 0.3269231 0.1887491 0.3713360), wk = 0.0025316 k( 216) = ( 0.3365385 0.1943006 0.3713360), wk = 0.0025316 k( 217) = ( 0.3461538 0.1998520 0.3713360), wk = 0.0025316 k( 218) = ( 0.3557692 0.2054035 0.3713360), wk = 0.0025316 k( 219) = ( 0.3653846 0.2109549 0.3713360), wk = 0.0025316 k( 220) = ( 0.3750000 0.2165064 0.3713360), wk = 0.0025316 k( 221) = ( 0.3846154 0.2220578 0.3713360), wk = 0.0025316 k( 222) = ( 0.3942308 0.2276092 0.3713360), wk = 0.0025316 k( 223) = ( 0.4038462 0.2331607 0.3713360), wk = 0.0025316 k( 224) = ( 0.4134615 0.2387121 0.3713360), wk = 0.0025316 k( 225) = ( 0.4230769 0.2442636 0.3713360), wk = 0.0025316 k( 226) = ( 0.4326923 0.2498150 0.3713360), wk = 0.0025316 k( 227) = ( 0.4423077 0.2553665 0.3713360), wk = 0.0025316 k( 228) = ( 0.4519231 0.2609179 0.3713360), wk = 0.0025316 k( 229) = ( 0.4615385 0.2664694 0.3713360), wk = 0.0025316 k( 230) = ( 0.4711538 0.2720208 0.3713360), wk = 0.0025316 k( 231) = ( 0.4807692 0.2775722 0.3713360), wk = 0.0025316 k( 232) = ( 0.4903846 0.2831237 0.3713360), wk = 0.0025316 k( 233) = ( 0.5000000 0.2886751 0.3713360), wk = 0.0025316 k( 234) = ( 0.5000000 0.2886751 0.3713360), wk = 0.0025316 k( 235) = ( 0.4944444 0.2982976 0.3713360), wk = 0.0025316 k( 236) = ( 0.4888889 0.3079201 0.3713360), wk = 0.0025316 k( 237) = ( 0.4833333 0.3175426 0.3713360), wk = 0.0025316 k( 238) = ( 0.4777778 0.3271651 0.3713360), wk = 0.0025316 k( 239) = ( 0.4722222 0.3367877 0.3713360), wk = 0.0025316 k( 240) = ( 0.4666667 0.3464102 0.3713360), wk = 0.0025316 k( 241) = ( 0.4611111 0.3560327 0.3713360), wk = 0.0025316 k( 242) = ( 0.4555556 0.3656552 0.3713360), wk = 0.0025316 k( 243) = ( 0.4500000 0.3752777 0.3713360), wk = 0.0025316 k( 244) = ( 0.4444444 0.3849002 0.3713360), wk = 0.0025316 k( 245) = ( 0.4388889 0.3945227 0.3713360), wk = 0.0025316 k( 246) = ( 0.4333333 0.4041452 0.3713360), wk = 0.0025316 k( 247) = ( 0.4277778 0.4137677 0.3713360), wk = 0.0025316 k( 248) = ( 0.4222222 0.4233902 0.3713360), wk = 0.0025316 k( 249) = ( 0.4166667 0.4330127 0.3713360), wk = 0.0025316 k( 250) = ( 0.4111111 0.4426352 0.3713360), wk = 0.0025316 k( 251) = ( 0.4055556 0.4522577 0.3713360), wk = 0.0025316 k( 252) = ( 0.4000000 0.4618802 0.3713360), wk = 0.0025316 k( 253) = ( 0.3944444 0.4715027 0.3713360), wk = 0.0025316 k( 254) = ( 0.3888889 0.4811252 0.3713360), wk = 0.0025316 k( 255) = ( 0.3833333 0.4907477 0.3713360), wk = 0.0025316 k( 256) = ( 0.3777778 0.5003702 0.3713360), wk = 0.0025316 k( 257) = ( 0.3722222 0.5099927 0.3713360), wk = 0.0025316 k( 258) = ( 0.3666667 0.5196152 0.3713360), wk = 0.0025316 k( 259) = ( 0.3611111 0.5292377 0.3713360), wk = 0.0025316 k( 260) = ( 0.3555556 0.5388603 0.3713360), wk = 0.0025316 k( 261) = ( 0.3500000 0.5484828 0.3713360), wk = 0.0025316 k( 262) = ( 0.3444444 0.5581053 0.3713360), wk = 0.0025316 k( 263) = ( 0.3388889 0.5677278 0.3713360), wk = 0.0025316 k( 264) = ( 0.3333333 0.5773503 0.3713360), wk = 0.0025316 k( 265) = ( 0.3333333 0.5773503 0.3713360), wk = 0.0025316 k( 266) = ( 0.3277778 0.5677278 0.3713360), wk = 0.0025316 k( 267) = ( 0.3222222 0.5581053 0.3713360), wk = 0.0025316 k( 268) = ( 0.3166667 0.5484828 0.3713360), wk = 0.0025316 k( 269) = ( 0.3111111 0.5388602 0.3713360), wk = 0.0025316 k( 270) = ( 0.3055556 0.5292378 0.3713360), wk = 0.0025316 k( 271) = ( 0.3000000 0.5196152 0.3713360), wk = 0.0025316 k( 272) = ( 0.2944444 0.5099927 0.3713360), wk = 0.0025316 k( 273) = ( 0.2888889 0.5003702 0.3713360), wk = 0.0025316 k( 274) = ( 0.2833333 0.4907477 0.3713360), wk = 0.0025316 k( 275) = ( 0.2777778 0.4811252 0.3713360), wk = 0.0025316 k( 276) = ( 0.2722222 0.4715027 0.3713360), wk = 0.0025316 k( 277) = ( 0.2666667 0.4618802 0.3713360), wk = 0.0025316 k( 278) = ( 0.2611111 0.4522577 0.3713360), wk = 0.0025316 k( 279) = ( 0.2555556 0.4426352 0.3713360), wk = 0.0025316 k( 280) = ( 0.2500000 0.4330127 0.3713360), wk = 0.0025316 k( 281) = ( 0.2444444 0.4233902 0.3713360), wk = 0.0025316 k( 282) = ( 0.2388889 0.4137677 0.3713360), wk = 0.0025316 k( 283) = ( 0.2333333 0.4041452 0.3713360), wk = 0.0025316 k( 284) = ( 0.2277778 0.3945227 0.3713360), wk = 0.0025316 k( 285) = ( 0.2222222 0.3849002 0.3713360), wk = 0.0025316 k( 286) = ( 0.2166667 0.3752777 0.3713360), wk = 0.0025316 k( 287) = ( 0.2111111 0.3656552 0.3713360), wk = 0.0025316 k( 288) = ( 0.2055556 0.3560327 0.3713360), wk = 0.0025316 k( 289) = ( 0.2000000 0.3464102 0.3713360), wk = 0.0025316 k( 290) = ( 0.1944444 0.3367876 0.3713360), wk = 0.0025316 k( 291) = ( 0.1888889 0.3271652 0.3713360), wk = 0.0025316 k( 292) = ( 0.1833333 0.3175426 0.3713360), wk = 0.0025316 k( 293) = ( 0.1777778 0.3079201 0.3713360), wk = 0.0025316 k( 294) = ( 0.1722222 0.2982976 0.3713360), wk = 0.0025316 k( 295) = ( 0.1666667 0.2886751 0.3713360), wk = 0.0025316 k( 296) = ( 0.1611111 0.2790526 0.3713360), wk = 0.0025316 k( 297) = ( 0.1555556 0.2694301 0.3713360), wk = 0.0025316 k( 298) = ( 0.1500000 0.2598076 0.3713360), wk = 0.0025316 k( 299) = ( 0.1444444 0.2501851 0.3713360), wk = 0.0025316 k( 300) = ( 0.1388889 0.2405626 0.3713360), wk = 0.0025316 k( 301) = ( 0.1333333 0.2309401 0.3713360), wk = 0.0025316 k( 302) = ( 0.1277778 0.2213176 0.3713360), wk = 0.0025316 k( 303) = ( 0.1222222 0.2116951 0.3713360), wk = 0.0025316 k( 304) = ( 0.1166667 0.2020726 0.3713360), wk = 0.0025316 k( 305) = ( 0.1111111 0.1924501 0.3713360), wk = 0.0025316 k( 306) = ( 0.1055556 0.1828276 0.3713360), wk = 0.0025316 k( 307) = ( 0.1000000 0.1732051 0.3713360), wk = 0.0025316 k( 308) = ( 0.0944444 0.1635826 0.3713360), wk = 0.0025316 k( 309) = ( 0.0888889 0.1539601 0.3713360), wk = 0.0025316 k( 310) = ( 0.0833333 0.1443376 0.3713360), wk = 0.0025316 k( 311) = ( 0.0777778 0.1347151 0.3713360), wk = 0.0025316 k( 312) = ( 0.0722222 0.1250926 0.3713360), wk = 0.0025316 k( 313) = ( 0.0666667 0.1154701 0.3713360), wk = 0.0025316 k( 314) = ( 0.0611111 0.1058475 0.3713360), wk = 0.0025316 k( 315) = ( 0.0555556 0.0962251 0.3713360), wk = 0.0025316 k( 316) = ( 0.0500000 0.0866025 0.3713360), wk = 0.0025316 k( 317) = ( 0.0444444 0.0769800 0.3713360), wk = 0.0025316 k( 318) = ( 0.0388889 0.0673575 0.3713360), wk = 0.0025316 k( 319) = ( 0.0333333 0.0577350 0.3713360), wk = 0.0025316 k( 320) = ( 0.0277778 0.0481125 0.3713360), wk = 0.0025316 k( 321) = ( 0.0222222 0.0384900 0.3713360), wk = 0.0025316 k( 322) = ( 0.0166667 0.0288675 0.3713360), wk = 0.0025316 k( 323) = ( 0.0111111 0.0192450 0.3713360), wk = 0.0025316 k( 324) = ( 0.0055556 0.0096225 0.3713360), wk = 0.0025316 k( 325) = ( 0.0000000 0.0000000 0.3713360), wk = 0.0025316 k( 326) = ( 0.5000000 0.2886751 0.3713360), wk = 0.0025316 k( 327) = ( 0.5000000 0.2886751 0.3604143), wk = 0.0025316 k( 328) = ( 0.5000000 0.2886751 0.3494927), wk = 0.0025316 k( 329) = ( 0.5000000 0.2886751 0.3385710), wk = 0.0025316 k( 330) = ( 0.5000000 0.2886751 0.3276494), wk = 0.0025316 k( 331) = ( 0.5000000 0.2886751 0.3167278), wk = 0.0025316 k( 332) = ( 0.5000000 0.2886751 0.3058061), wk = 0.0025316 k( 333) = ( 0.5000000 0.2886751 0.2948845), wk = 0.0025316 k( 334) = ( 0.5000000 0.2886751 0.2839628), wk = 0.0025316 k( 335) = ( 0.5000000 0.2886751 0.2730412), wk = 0.0025316 k( 336) = ( 0.5000000 0.2886751 0.2621195), wk = 0.0025316 k( 337) = ( 0.5000000 0.2886751 0.2511979), wk = 0.0025316 k( 338) = ( 0.5000000 0.2886751 0.2402762), wk = 0.0025316 k( 339) = ( 0.5000000 0.2886751 0.2293546), wk = 0.0025316 k( 340) = ( 0.5000000 0.2886751 0.2184329), wk = 0.0025316 k( 341) = ( 0.5000000 0.2886751 0.2075113), wk = 0.0025316 k( 342) = ( 0.5000000 0.2886751 0.1965896), wk = 0.0025316 k( 343) = ( 0.5000000 0.2886751 0.1856680), wk = 0.0025316 k( 344) = ( 0.5000000 0.2886751 0.1747463), wk = 0.0025316 k( 345) = ( 0.5000000 0.2886751 0.1638247), wk = 0.0025316 k( 346) = ( 0.5000000 0.2886751 0.1529030), wk = 0.0025316 k( 347) = ( 0.5000000 0.2886751 0.1419814), wk = 0.0025316 k( 348) = ( 0.5000000 0.2886751 0.1310598), wk = 0.0025316 k( 349) = ( 0.5000000 0.2886751 0.1201381), wk = 0.0025316 k( 350) = ( 0.5000000 0.2886751 0.1092165), wk = 0.0025316 k( 351) = ( 0.5000000 0.2886751 0.0982948), wk = 0.0025316 k( 352) = ( 0.5000000 0.2886751 0.0873732), wk = 0.0025316 k( 353) = ( 0.5000000 0.2886751 0.0764515), wk = 0.0025316 k( 354) = ( 0.5000000 0.2886751 0.0655299), wk = 0.0025316 k( 355) = ( 0.5000000 0.2886751 0.0546082), wk = 0.0025316 k( 356) = ( 0.5000000 0.2886751 0.0436866), wk = 0.0025316 k( 357) = ( 0.5000000 0.2886751 0.0327649), wk = 0.0025316 k( 358) = ( 0.5000000 0.2886751 0.0218433), wk = 0.0025316 k( 359) = ( 0.5000000 0.2886751 0.0109216), wk = 0.0025316 k( 360) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025316 k( 361) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025316 k( 362) = ( 0.3333333 0.5773503 0.0109216), wk = 0.0025316 k( 363) = ( 0.3333333 0.5773503 0.0218433), wk = 0.0025316 k( 364) = ( 0.3333333 0.5773503 0.0327649), wk = 0.0025316 k( 365) = ( 0.3333333 0.5773503 0.0436866), wk = 0.0025316 k( 366) = ( 0.3333333 0.5773503 0.0546082), wk = 0.0025316 k( 367) = ( 0.3333333 0.5773503 0.0655299), wk = 0.0025316 k( 368) = ( 0.3333333 0.5773503 0.0764515), wk = 0.0025316 k( 369) = ( 0.3333333 0.5773503 0.0873732), wk = 0.0025316 k( 370) = ( 0.3333333 0.5773503 0.0982948), wk = 0.0025316 k( 371) = ( 0.3333333 0.5773503 0.1092165), wk = 0.0025316 k( 372) = ( 0.3333333 0.5773503 0.1201381), wk = 0.0025316 k( 373) = ( 0.3333333 0.5773503 0.1310598), wk = 0.0025316 k( 374) = ( 0.3333333 0.5773503 0.1419814), wk = 0.0025316 k( 375) = ( 0.3333333 0.5773503 0.1529030), wk = 0.0025316 k( 376) = ( 0.3333333 0.5773503 0.1638247), wk = 0.0025316 k( 377) = ( 0.3333333 0.5773503 0.1747463), wk = 0.0025316 k( 378) = ( 0.3333333 0.5773503 0.1856680), wk = 0.0025316 k( 379) = ( 0.3333333 0.5773503 0.1965896), wk = 0.0025316 k( 380) = ( 0.3333333 0.5773503 0.2075113), wk = 0.0025316 k( 381) = ( 0.3333333 0.5773503 0.2184329), wk = 0.0025316 k( 382) = ( 0.3333333 0.5773503 0.2293546), wk = 0.0025316 k( 383) = ( 0.3333333 0.5773503 0.2402762), wk = 0.0025316 k( 384) = ( 0.3333333 0.5773503 0.2511979), wk = 0.0025316 k( 385) = ( 0.3333333 0.5773503 0.2621195), wk = 0.0025316 k( 386) = ( 0.3333333 0.5773503 0.2730412), wk = 0.0025316 k( 387) = ( 0.3333333 0.5773503 0.2839628), wk = 0.0025316 k( 388) = ( 0.3333333 0.5773503 0.2948845), wk = 0.0025316 k( 389) = ( 0.3333333 0.5773503 0.3058061), wk = 0.0025316 k( 390) = ( 0.3333333 0.5773503 0.3167278), wk = 0.0025316 k( 391) = ( 0.3333333 0.5773503 0.3276494), wk = 0.0025316 k( 392) = ( 0.3333333 0.5773503 0.3385710), wk = 0.0025316 k( 393) = ( 0.3333333 0.5773503 0.3494927), wk = 0.0025316 k( 394) = ( 0.3333333 0.5773503 0.3604143), wk = 0.0025316 k( 395) = ( 0.3333333 0.5773503 0.3713360), wk = 0.0025316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0025316 k( 3) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0025316 k( 4) = ( 0.0288462 0.0000000 0.0000000), wk = 0.0025316 k( 5) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0025316 k( 6) = ( 0.0480769 0.0000000 0.0000000), wk = 0.0025316 k( 7) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0025316 k( 8) = ( 0.0673077 -0.0000000 -0.0000000), wk = 0.0025316 k( 9) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0025316 k( 10) = ( 0.0865385 0.0000000 0.0000000), wk = 0.0025316 k( 11) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0025316 k( 12) = ( 0.1057692 0.0000000 0.0000000), wk = 0.0025316 k( 13) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0025316 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0025316 k( 15) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0025316 k( 16) = ( 0.1442308 0.0000000 -0.0000000), wk = 0.0025316 k( 17) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0025316 k( 18) = ( 0.1634615 0.0000000 0.0000000), wk = 0.0025316 k( 19) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0025316 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0025316 k( 21) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0025316 k( 22) = ( 0.2019231 0.0000000 0.0000000), wk = 0.0025316 k( 23) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0025316 k( 24) = ( 0.2211539 0.0000000 0.0000000), wk = 0.0025316 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0025316 k( 26) = ( 0.2403846 0.0000000 0.0000000), wk = 0.0025316 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025316 k( 28) = ( 0.2596154 0.0000000 0.0000000), wk = 0.0025316 k( 29) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0025316 k( 30) = ( 0.2788462 0.0000000 0.0000000), wk = 0.0025316 k( 31) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0025316 k( 32) = ( 0.2980769 0.0000000 0.0000000), wk = 0.0025316 k( 33) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0025316 k( 34) = ( 0.3173077 0.0000000 0.0000000), wk = 0.0025316 k( 35) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0025316 k( 36) = ( 0.3365385 0.0000000 -0.0000000), wk = 0.0025316 k( 37) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0025316 k( 38) = ( 0.3557692 0.0000000 0.0000000), wk = 0.0025316 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0025316 k( 40) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0025316 k( 41) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0025316 k( 42) = ( 0.3942308 0.0000000 0.0000000), wk = 0.0025316 k( 43) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0025316 k( 44) = ( 0.4134615 0.0000000 0.0000000), wk = 0.0025316 k( 45) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0025316 k( 46) = ( 0.4326923 0.0000000 -0.0000000), wk = 0.0025316 k( 47) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0025316 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0025316 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0025316 k( 50) = ( 0.4711538 0.0000000 0.0000000), wk = 0.0025316 k( 51) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0025316 k( 52) = ( 0.4903846 0.0000000 -0.0000000), wk = 0.0025316 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025316 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025316 k( 55) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0025316 k( 56) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0025316 k( 57) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0025316 k( 58) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0025316 k( 59) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0025316 k( 60) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0025316 k( 61) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0025316 k( 62) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0025316 k( 63) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0025316 k( 64) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0025316 k( 65) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0025316 k( 66) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0025316 k( 67) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0025316 k( 68) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0025316 k( 69) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0025316 k( 70) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0025316 k( 71) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0025316 k( 72) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0025316 k( 73) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0025316 k( 74) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0025316 k( 75) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0025316 k( 76) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0025316 k( 77) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0025316 k( 78) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0025316 k( 79) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0025316 k( 80) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0025316 k( 81) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0025316 k( 82) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0025316 k( 83) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0025316 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 85) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 86) = ( 0.3277778 0.3277778 0.0000000), wk = 0.0025316 k( 87) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0025316 k( 88) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0025316 k( 89) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0025316 k( 90) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0025316 k( 91) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0025316 k( 92) = ( 0.2944444 0.2944444 -0.0000000), wk = 0.0025316 k( 93) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0025316 k( 94) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0025316 k( 95) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0025316 k( 96) = ( 0.2722222 0.2722222 0.0000000), wk = 0.0025316 k( 97) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0025316 k( 98) = ( 0.2611111 0.2611111 -0.0000000), wk = 0.0025316 k( 99) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0025316 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025316 k( 101) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0025316 k( 102) = ( 0.2388889 0.2388889 -0.0000000), wk = 0.0025316 k( 103) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0025316 k( 104) = ( 0.2277778 0.2277778 -0.0000000), wk = 0.0025316 k( 105) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0025316 k( 106) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0025316 k( 107) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0025316 k( 108) = ( 0.2055556 0.2055556 -0.0000000), wk = 0.0025316 k( 109) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0025316 k( 110) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0025316 k( 111) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0025316 k( 112) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0025316 k( 113) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0025316 k( 114) = ( 0.1722222 0.1722222 -0.0000000), wk = 0.0025316 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0025316 k( 116) = ( 0.1611111 0.1611111 0.0000000), wk = 0.0025316 k( 117) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0025316 k( 118) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0025316 k( 119) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0025316 k( 120) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0025316 k( 121) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0025316 k( 122) = ( 0.1277778 0.1277778 0.0000000), wk = 0.0025316 k( 123) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0025316 k( 124) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0025316 k( 125) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0025316 k( 126) = ( 0.1055556 0.1055556 -0.0000000), wk = 0.0025316 k( 127) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0025316 k( 128) = ( 0.0944444 0.0944444 0.0000000), wk = 0.0025316 k( 129) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0025316 k( 130) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0025316 k( 131) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0025316 k( 132) = ( 0.0722222 0.0722222 0.0000000), wk = 0.0025316 k( 133) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0025316 k( 134) = ( 0.0611111 0.0611111 0.0000000), wk = 0.0025316 k( 135) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0025316 k( 136) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0025316 k( 137) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0025316 k( 138) = ( 0.0388889 0.0388889 0.0000000), wk = 0.0025316 k( 139) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0025316 k( 140) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0025316 k( 141) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0025316 k( 142) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0025316 k( 143) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0025316 k( 144) = ( 0.0055556 0.0055556 -0.0000000), wk = 0.0025316 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 147) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0025316 k( 148) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025316 k( 149) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0025316 k( 150) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025316 k( 151) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0025316 k( 152) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025316 k( 153) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0025316 k( 154) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025316 k( 155) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0025316 k( 156) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025316 k( 157) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0025316 k( 158) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025316 k( 159) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0025316 k( 160) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0025316 k( 161) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025316 k( 164) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025316 k( 165) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0025316 k( 166) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0025316 k( 167) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0025316 k( 168) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025316 k( 169) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0025316 k( 170) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025316 k( 171) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0025316 k( 172) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025316 k( 173) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0025316 k( 174) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025316 k( 175) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0025316 k( 176) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025316 k( 177) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0025316 k( 178) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025316 k( 179) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0025316 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 182) = ( 0.0096154 0.0000000 0.5000000), wk = 0.0025316 k( 183) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0025316 k( 184) = ( 0.0288462 0.0000000 0.5000000), wk = 0.0025316 k( 185) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0025316 k( 186) = ( 0.0480769 0.0000000 0.5000000), wk = 0.0025316 k( 187) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0025316 k( 188) = ( 0.0673077 -0.0000000 0.5000000), wk = 0.0025316 k( 189) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0025316 k( 190) = ( 0.0865385 0.0000000 0.5000000), wk = 0.0025316 k( 191) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0025316 k( 192) = ( 0.1057692 0.0000000 0.5000000), wk = 0.0025316 k( 193) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0025316 k( 194) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0025316 k( 195) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0025316 k( 196) = ( 0.1442308 0.0000000 0.5000000), wk = 0.0025316 k( 197) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0025316 k( 198) = ( 0.1634615 0.0000000 0.5000000), wk = 0.0025316 k( 199) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0025316 k( 200) = ( 0.1826923 0.0000000 0.5000000), wk = 0.0025316 k( 201) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0025316 k( 202) = ( 0.2019231 0.0000000 0.5000000), wk = 0.0025316 k( 203) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0025316 k( 204) = ( 0.2211539 0.0000000 0.5000000), wk = 0.0025316 k( 205) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0025316 k( 206) = ( 0.2403846 0.0000000 0.5000000), wk = 0.0025316 k( 207) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025316 k( 208) = ( 0.2596154 0.0000000 0.5000000), wk = 0.0025316 k( 209) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0025316 k( 210) = ( 0.2788462 0.0000000 0.5000000), wk = 0.0025316 k( 211) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0025316 k( 212) = ( 0.2980769 0.0000000 0.5000000), wk = 0.0025316 k( 213) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0025316 k( 214) = ( 0.3173077 0.0000000 0.5000000), wk = 0.0025316 k( 215) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0025316 k( 216) = ( 0.3365385 0.0000000 0.5000000), wk = 0.0025316 k( 217) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0025316 k( 218) = ( 0.3557692 0.0000000 0.5000000), wk = 0.0025316 k( 219) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0025316 k( 220) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0025316 k( 221) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0025316 k( 222) = ( 0.3942308 0.0000000 0.5000000), wk = 0.0025316 k( 223) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0025316 k( 224) = ( 0.4134615 0.0000000 0.5000000), wk = 0.0025316 k( 225) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0025316 k( 226) = ( 0.4326923 0.0000000 0.5000000), wk = 0.0025316 k( 227) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0025316 k( 228) = ( 0.4519231 0.0000000 0.5000000), wk = 0.0025316 k( 229) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0025316 k( 230) = ( 0.4711538 0.0000000 0.5000000), wk = 0.0025316 k( 231) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0025316 k( 232) = ( 0.4903846 0.0000000 0.5000000), wk = 0.0025316 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025316 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025316 k( 235) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0025316 k( 236) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0025316 k( 237) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0025316 k( 238) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0025316 k( 239) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0025316 k( 240) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0025316 k( 241) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0025316 k( 242) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0025316 k( 243) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0025316 k( 244) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0025316 k( 245) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0025316 k( 246) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0025316 k( 247) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0025316 k( 248) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0025316 k( 249) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0025316 k( 250) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0025316 k( 251) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0025316 k( 252) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0025316 k( 253) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0025316 k( 254) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0025316 k( 255) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0025316 k( 256) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0025316 k( 257) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0025316 k( 258) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0025316 k( 259) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0025316 k( 260) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0025316 k( 261) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0025316 k( 262) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0025316 k( 263) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0025316 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 k( 266) = ( 0.3277778 0.3277778 0.5000000), wk = 0.0025316 k( 267) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0025316 k( 268) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0025316 k( 269) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0025316 k( 270) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0025316 k( 271) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0025316 k( 272) = ( 0.2944444 0.2944444 0.5000000), wk = 0.0025316 k( 273) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0025316 k( 274) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0025316 k( 275) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0025316 k( 276) = ( 0.2722222 0.2722222 0.5000000), wk = 0.0025316 k( 277) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0025316 k( 278) = ( 0.2611111 0.2611111 0.5000000), wk = 0.0025316 k( 279) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0025316 k( 280) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025316 k( 281) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0025316 k( 282) = ( 0.2388889 0.2388889 0.5000000), wk = 0.0025316 k( 283) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0025316 k( 284) = ( 0.2277778 0.2277778 0.5000000), wk = 0.0025316 k( 285) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0025316 k( 286) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0025316 k( 287) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0025316 k( 288) = ( 0.2055556 0.2055556 0.5000000), wk = 0.0025316 k( 289) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0025316 k( 290) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0025316 k( 291) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0025316 k( 292) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0025316 k( 293) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0025316 k( 294) = ( 0.1722222 0.1722222 0.5000000), wk = 0.0025316 k( 295) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025316 k( 296) = ( 0.1611111 0.1611111 0.5000000), wk = 0.0025316 k( 297) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0025316 k( 298) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0025316 k( 299) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0025316 k( 300) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0025316 k( 301) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0025316 k( 302) = ( 0.1277778 0.1277778 0.5000000), wk = 0.0025316 k( 303) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0025316 k( 304) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0025316 k( 305) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0025316 k( 306) = ( 0.1055556 0.1055556 0.5000000), wk = 0.0025316 k( 307) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0025316 k( 308) = ( 0.0944444 0.0944444 0.5000000), wk = 0.0025316 k( 309) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0025316 k( 310) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025316 k( 311) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0025316 k( 312) = ( 0.0722222 0.0722222 0.5000000), wk = 0.0025316 k( 313) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0025316 k( 314) = ( 0.0611111 0.0611111 0.5000000), wk = 0.0025316 k( 315) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0025316 k( 316) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0025316 k( 317) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0025316 k( 318) = ( 0.0388889 0.0388889 0.5000000), wk = 0.0025316 k( 319) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0025316 k( 320) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0025316 k( 321) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0025316 k( 322) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0025316 k( 323) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0025316 k( 324) = ( 0.0055556 0.0055556 0.5000000), wk = 0.0025316 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 326) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025316 k( 327) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0025316 k( 328) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0025316 k( 329) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0025316 k( 330) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0025316 k( 331) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0025316 k( 332) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0025316 k( 333) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0025316 k( 334) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0025316 k( 335) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0025316 k( 336) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0025316 k( 337) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0025316 k( 338) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0025316 k( 339) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0025316 k( 340) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0025316 k( 341) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0025316 k( 342) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0025316 k( 343) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025316 k( 344) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0025316 k( 345) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0025316 k( 346) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0025316 k( 347) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0025316 k( 348) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0025316 k( 349) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0025316 k( 350) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0025316 k( 351) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0025316 k( 352) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0025316 k( 353) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0025316 k( 354) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0025316 k( 355) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0025316 k( 356) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0025316 k( 357) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0025316 k( 358) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0025316 k( 359) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0025316 k( 360) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025316 k( 361) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025316 k( 362) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0025316 k( 363) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0025316 k( 364) = ( 0.3333333 0.3333333 0.0441176), wk = 0.0025316 k( 365) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0025316 k( 366) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0025316 k( 367) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0025316 k( 368) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0025316 k( 369) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0025316 k( 370) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0025316 k( 371) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0025316 k( 372) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0025316 k( 373) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0025316 k( 374) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0025316 k( 375) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0025316 k( 376) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0025316 k( 377) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0025316 k( 378) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025316 k( 379) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0025316 k( 380) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0025316 k( 381) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0025316 k( 382) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0025316 k( 383) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0025316 k( 384) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0025316 k( 385) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0025316 k( 386) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0025316 k( 387) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0025316 k( 388) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0025316 k( 389) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0025316 k( 390) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0025316 k( 391) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0025316 k( 392) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0025316 k( 393) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0025316 k( 394) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0025316 k( 395) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025316 Dense grid: 91703 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 14625 G-vectors FFT dimensions: ( 30, 30, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 114, 34) NL pseudopotentials 0.06 Mb ( 57, 66) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2549) G-vector shells 0.01 Mb ( 1145) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 114, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.07 Mb ( 66, 2, 34) The potential is recalculated from file : ./CdxHOx2.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.5 secs Computing kpt #: 16 total cpu time spent up to now is 7.7 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.2 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.2 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.7 secs Computing kpt #: 28 total cpu time spent up to now is 9.9 secs Computing kpt #: 29 total cpu time spent up to now is 10.1 secs Computing kpt #: 30 total cpu time spent up to now is 10.3 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.3 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 11.9 secs Computing kpt #: 39 total cpu time spent up to now is 12.1 secs Computing kpt #: 40 total cpu time spent up to now is 12.3 secs Computing kpt #: 41 total cpu time spent up to now is 12.5 secs Computing kpt #: 42 total cpu time spent up to now is 12.7 secs Computing kpt #: 43 total cpu time spent up to now is 12.9 secs Computing kpt #: 44 total cpu time spent up to now is 13.1 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.4 secs Computing kpt #: 47 total cpu time spent up to now is 13.6 secs Computing kpt #: 48 total cpu time spent up to now is 13.8 secs Computing kpt #: 49 total cpu time spent up to now is 14.0 secs Computing kpt #: 50 total cpu time spent up to now is 14.2 secs Computing kpt #: 51 total cpu time spent up to now is 14.5 secs Computing kpt #: 52 total cpu time spent up to now is 14.7 secs Computing kpt #: 53 total cpu time spent up to now is 14.9 secs Computing kpt #: 54 total cpu time spent up to now is 15.1 secs Computing kpt #: 55 total cpu time spent up to now is 15.3 secs Computing kpt #: 56 total cpu time spent up to now is 15.5 secs Computing kpt #: 57 total cpu time spent up to now is 15.7 secs Computing kpt #: 58 total cpu time spent up to now is 15.9 secs Computing kpt #: 59 total cpu time spent up to now is 16.1 secs Computing kpt #: 60 total cpu time spent up to now is 16.3 secs Computing kpt #: 61 total cpu time spent up to now is 16.5 secs Computing kpt #: 62 total cpu time spent up to now is 16.7 secs Computing kpt #: 63 total cpu time spent up to now is 16.9 secs Computing kpt #: 64 total cpu time spent up to now is 17.1 secs Computing kpt #: 65 total cpu time spent up to now is 17.3 secs Computing kpt #: 66 total cpu time spent up to now is 17.5 secs Computing kpt #: 67 total cpu time spent up to now is 17.8 secs Computing kpt #: 68 total cpu time spent up to now is 18.0 secs Computing kpt #: 69 total cpu time spent up to now is 18.2 secs Computing kpt #: 70 total cpu time spent up to now is 18.4 secs Computing kpt #: 71 total cpu time spent up to now is 18.6 secs Computing kpt #: 72 total cpu time spent up to now is 18.8 secs Computing kpt #: 73 total cpu time spent up to now is 19.0 secs Computing kpt #: 74 total cpu time spent up to now is 19.2 secs Computing kpt #: 75 total cpu time spent up to now is 19.4 secs Computing kpt #: 76 total cpu time spent up to now is 19.6 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 20.2 secs Computing kpt #: 80 total cpu time spent up to now is 20.4 secs Computing kpt #: 81 total cpu time spent up to now is 20.6 secs Computing kpt #: 82 total cpu time spent up to now is 20.8 secs Computing kpt #: 83 total cpu time spent up to now is 21.0 secs Computing kpt #: 84 total cpu time spent up to now is 21.2 secs Computing kpt #: 85 total cpu time spent up to now is 21.4 secs Computing kpt #: 86 total cpu time spent up to now is 21.6 secs Computing kpt #: 87 total cpu time spent up to now is 21.8 secs Computing kpt #: 88 total cpu time spent up to now is 22.0 secs Computing kpt #: 89 total cpu time spent up to now is 22.1 secs Computing kpt #: 90 total cpu time spent up to now is 22.3 secs Computing kpt #: 91 total cpu time spent up to now is 22.5 secs Computing kpt #: 92 total cpu time spent up to now is 22.8 secs Computing kpt #: 93 total cpu time spent up to now is 23.0 secs Computing kpt #: 94 total cpu time spent up to now is 23.2 secs Computing kpt #: 95 total cpu time spent up to now is 23.4 secs Computing kpt #: 96 total cpu time spent up to now is 23.6 secs Computing kpt #: 97 total cpu time spent up to now is 23.8 secs Computing kpt #: 98 total cpu time spent up to now is 24.0 secs Computing kpt #: 99 total cpu time spent up to now is 24.2 secs Computing kpt #: 100 total cpu time spent up to now is 24.4 secs Computing kpt #: 101 total cpu time spent up to now is 24.6 secs Computing kpt #: 102 total cpu time spent up to now is 24.8 secs Computing kpt #: 103 total cpu time spent up to now is 25.0 secs Computing kpt #: 104 total cpu time spent up to now is 25.2 secs Computing kpt #: 105 total cpu time spent up to now is 25.4 secs Computing kpt #: 106 total cpu time spent up to now is 25.6 secs Computing kpt #: 107 total cpu time spent up to now is 25.8 secs Computing kpt #: 108 total cpu time spent up to now is 26.0 secs Computing kpt #: 109 total cpu time spent up to now is 26.2 secs Computing kpt #: 110 total cpu time spent up to now is 26.4 secs Computing kpt #: 111 total cpu time spent up to now is 26.6 secs Computing kpt #: 112 total cpu time spent up to now is 26.8 secs Computing kpt #: 113 total cpu time spent up to now is 27.0 secs Computing kpt #: 114 total cpu time spent up to now is 27.2 secs Computing kpt #: 115 total cpu time spent up to now is 27.4 secs Computing kpt #: 116 total cpu time spent up to now is 27.6 secs Computing kpt #: 117 total cpu time spent up to now is 27.8 secs Computing kpt #: 118 total cpu time spent up to now is 28.0 secs Computing kpt #: 119 total cpu time spent up to now is 28.2 secs Computing kpt #: 120 total cpu time spent up to now is 28.4 secs Computing kpt #: 121 total cpu time spent up to now is 28.6 secs Computing kpt #: 122 total cpu time spent up to now is 28.8 secs Computing kpt #: 123 total cpu time spent up to now is 29.0 secs Computing kpt #: 124 total cpu time spent up to now is 29.2 secs Computing kpt #: 125 total cpu time spent up to now is 29.4 secs Computing kpt #: 126 total cpu time spent up to now is 29.6 secs Computing kpt #: 127 total cpu time spent up to now is 29.8 secs Computing kpt #: 128 total cpu time spent up to now is 30.0 secs Computing kpt #: 129 total cpu time spent up to now is 30.2 secs Computing kpt #: 130 total cpu time spent up to now is 30.4 secs Computing kpt #: 131 total cpu time spent up to now is 30.5 secs Computing kpt #: 132 total cpu time spent up to now is 30.7 secs Computing kpt #: 133 total cpu time spent up to now is 30.9 secs Computing kpt #: 134 total cpu time spent up to now is 31.2 secs Computing kpt #: 135 total cpu time spent up to now is 31.4 secs Computing kpt #: 136 total cpu time spent up to now is 31.6 secs Computing kpt #: 137 total cpu time spent up to now is 31.8 secs Computing kpt #: 138 total cpu time spent up to now is 32.0 secs Computing kpt #: 139 total cpu time spent up to now is 32.2 secs Computing kpt #: 140 total cpu time spent up to now is 32.4 secs Computing kpt #: 141 total cpu time spent up to now is 32.6 secs Computing kpt #: 142 total cpu time spent up to now is 32.8 secs Computing kpt #: 143 total cpu time spent up to now is 33.0 secs Computing kpt #: 144 total cpu time spent up to now is 33.2 secs Computing kpt #: 145 total cpu time spent up to now is 33.4 secs Computing kpt #: 146 total cpu time spent up to now is 33.6 secs Computing kpt #: 147 total cpu time spent up to now is 33.8 secs Computing kpt #: 148 total cpu time spent up to now is 34.0 secs Computing kpt #: 149 total cpu time spent up to now is 34.2 secs Computing kpt #: 150 total cpu time spent up to now is 34.4 secs Computing kpt #: 151 total cpu time spent up to now is 34.6 secs Computing kpt #: 152 total cpu time spent up to now is 34.8 secs Computing kpt #: 153 total cpu time spent up to now is 35.0 secs Computing kpt #: 154 total cpu time spent up to now is 35.2 secs Computing kpt #: 155 total cpu time spent up to now is 35.4 secs Computing kpt #: 156 total cpu time spent up to now is 35.5 secs Computing kpt #: 157 total cpu time spent up to now is 35.7 secs Computing kpt #: 158 total cpu time spent up to now is 35.9 secs Computing kpt #: 159 total cpu time spent up to now is 36.1 secs Computing kpt #: 160 total cpu time spent up to now is 36.3 secs Computing kpt #: 161 total cpu time spent up to now is 36.5 secs Computing kpt #: 162 total cpu time spent up to now is 36.7 secs Computing kpt #: 163 total cpu time spent up to now is 36.9 secs Computing kpt #: 164 total cpu time spent up to now is 37.1 secs Computing kpt #: 165 total cpu time spent up to now is 37.3 secs Computing kpt #: 166 total cpu time spent up to now is 37.5 secs Computing kpt #: 167 total cpu time spent up to now is 37.8 secs Computing kpt #: 168 total cpu time spent up to now is 38.0 secs Computing kpt #: 169 total cpu time spent up to now is 38.2 secs Computing kpt #: 170 total cpu time spent up to now is 38.4 secs Computing kpt #: 171 total cpu time spent up to now is 38.7 secs Computing kpt #: 172 total cpu time spent up to now is 39.0 secs Computing kpt #: 173 total cpu time spent up to now is 39.3 secs Computing kpt #: 174 total cpu time spent up to now is 39.7 secs Computing kpt #: 175 total cpu time spent up to now is 39.9 secs Computing kpt #: 176 total cpu time spent up to now is 40.2 secs Computing kpt #: 177 total cpu time spent up to now is 40.7 secs Computing kpt #: 178 total cpu time spent up to now is 41.0 secs Computing kpt #: 179 total cpu time spent up to now is 41.2 secs Computing kpt #: 180 total cpu time spent up to now is 41.5 secs Computing kpt #: 181 total cpu time spent up to now is 41.7 secs Computing kpt #: 182 total cpu time spent up to now is 42.0 secs Computing kpt #: 183 total cpu time spent up to now is 42.2 secs Computing kpt #: 184 total cpu time spent up to now is 42.4 secs Computing kpt #: 185 total cpu time spent up to now is 42.6 secs Computing kpt #: 186 total cpu time spent up to now is 42.9 secs Computing kpt #: 187 total cpu time spent up to now is 43.1 secs Computing kpt #: 188 total cpu time spent up to now is 43.3 secs Computing kpt #: 189 total cpu time spent up to now is 43.5 secs Computing kpt #: 190 total cpu time spent up to now is 43.7 secs Computing kpt #: 191 total cpu time spent up to now is 43.9 secs Computing kpt #: 192 total cpu time spent up to now is 44.2 secs Computing kpt #: 193 total cpu time spent up to now is 44.4 secs Computing kpt #: 194 total cpu time spent up to now is 44.6 secs Computing kpt #: 195 total cpu time spent up to now is 44.8 secs Computing kpt #: 196 total cpu time spent up to now is 45.0 secs Computing kpt #: 197 total cpu time spent up to now is 45.2 secs Computing kpt #: 198 total cpu time spent up to now is 45.4 secs Computing kpt #: 199 total cpu time spent up to now is 45.6 secs Computing kpt #: 200 total cpu time spent up to now is 45.8 secs Computing kpt #: 201 total cpu time spent up to now is 46.1 secs Computing kpt #: 202 total cpu time spent up to now is 46.3 secs Computing kpt #: 203 total cpu time spent up to now is 46.5 secs Computing kpt #: 204 total cpu time spent up to now is 46.7 secs Computing kpt #: 205 total cpu time spent up to now is 46.9 secs Computing kpt #: 206 total cpu time spent up to now is 47.1 secs Computing kpt #: 207 total cpu time spent up to now is 47.3 secs Computing kpt #: 208 total cpu time spent up to now is 47.5 secs Computing kpt #: 209 total cpu time spent up to now is 47.7 secs Computing kpt #: 210 total cpu time spent up to now is 47.8 secs Computing kpt #: 211 total cpu time spent up to now is 48.0 secs Computing kpt #: 212 total cpu time spent up to now is 48.2 secs Computing kpt #: 213 total cpu time spent up to now is 48.4 secs Computing kpt #: 214 total cpu time spent up to now is 48.6 secs Computing kpt #: 215 total cpu time spent up to now is 48.8 secs Computing kpt #: 216 total cpu time spent up to now is 49.0 secs Computing kpt #: 217 total cpu time spent up to now is 49.2 secs Computing kpt #: 218 total cpu time spent up to now is 49.4 secs Computing kpt #: 219 total cpu time spent up to now is 49.5 secs Computing kpt #: 220 total cpu time spent up to now is 49.7 secs Computing kpt #: 221 total cpu time spent up to now is 49.9 secs Computing kpt #: 222 total cpu time spent up to now is 50.1 secs Computing kpt #: 223 total cpu time spent up to now is 50.3 secs Computing kpt #: 224 total cpu time spent up to now is 50.5 secs Computing kpt #: 225 total cpu time spent up to now is 50.7 secs Computing kpt #: 226 total cpu time spent up to now is 50.9 secs Computing kpt #: 227 total cpu time spent up to now is 51.1 secs Computing kpt #: 228 total cpu time spent up to now is 51.2 secs Computing kpt #: 229 total cpu time spent up to now is 51.4 secs Computing kpt #: 230 total cpu time spent up to now is 51.6 secs Computing kpt #: 231 total cpu time spent up to now is 51.8 secs Computing kpt #: 232 total cpu time spent up to now is 52.0 secs Computing kpt #: 233 total cpu time spent up to now is 52.1 secs Computing kpt #: 234 total cpu time spent up to now is 52.3 secs Computing kpt #: 235 total cpu time spent up to now is 52.5 secs Computing kpt #: 236 total cpu time spent up to now is 52.7 secs Computing kpt #: 237 total cpu time spent up to now is 52.8 secs Computing kpt #: 238 total cpu time spent up to now is 53.0 secs Computing kpt #: 239 total cpu time spent up to now is 53.2 secs Computing kpt #: 240 total cpu time spent up to now is 53.4 secs Computing kpt #: 241 total cpu time spent up to now is 53.6 secs Computing kpt #: 242 total cpu time spent up to now is 53.8 secs Computing kpt #: 243 total cpu time spent up to now is 54.0 secs Computing kpt #: 244 total cpu time spent up to now is 54.1 secs Computing kpt #: 245 total cpu time spent up to now is 54.3 secs Computing kpt #: 246 total cpu time spent up to now is 54.5 secs Computing kpt #: 247 total cpu time spent up to now is 54.7 secs Computing kpt #: 248 total cpu time spent up to now is 54.9 secs Computing kpt #: 249 total cpu time spent up to now is 55.1 secs Computing kpt #: 250 total cpu time spent up to now is 55.3 secs Computing kpt #: 251 total cpu time spent up to now is 55.4 secs Computing kpt #: 252 total cpu time spent up to now is 55.6 secs Computing kpt #: 253 total cpu time spent up to now is 55.8 secs Computing kpt #: 254 total cpu time spent up to now is 56.0 secs Computing kpt #: 255 total cpu time spent up to now is 56.2 secs Computing kpt #: 256 total cpu time spent up to now is 56.4 secs Computing kpt #: 257 total cpu time spent up to now is 56.6 secs Computing kpt #: 258 total cpu time spent up to now is 56.8 secs Computing kpt #: 259 total cpu time spent up to now is 57.0 secs Computing kpt #: 260 total cpu time spent up to now is 57.2 secs Computing kpt #: 261 total cpu time spent up to now is 57.4 secs Computing kpt #: 262 total cpu time spent up to now is 57.6 secs Computing kpt #: 263 total cpu time spent up to now is 57.8 secs Computing kpt #: 264 total cpu time spent up to now is 58.0 secs Computing kpt #: 265 total cpu time spent up to now is 58.2 secs Computing kpt #: 266 total cpu time spent up to now is 58.3 secs Computing kpt #: 267 total cpu time spent up to now is 58.5 secs Computing kpt #: 268 total cpu time spent up to now is 58.7 secs Computing kpt #: 269 total cpu time spent up to now is 58.9 secs Computing kpt #: 270 total cpu time spent up to now is 59.1 secs Computing kpt #: 271 total cpu time spent up to now is 59.3 secs Computing kpt #: 272 total cpu time spent up to now is 59.5 secs Computing kpt #: 273 total cpu time spent up to now is 59.7 secs Computing kpt #: 274 total cpu time spent up to now is 59.9 secs Computing kpt #: 275 total cpu time spent up to now is 60.1 secs Computing kpt #: 276 total cpu time spent up to now is 60.3 secs Computing kpt #: 277 total cpu time spent up to now is 60.5 secs Computing kpt #: 278 total cpu time spent up to now is 60.7 secs Computing kpt #: 279 total cpu time spent up to now is 60.9 secs Computing kpt #: 280 total cpu time spent up to now is 61.1 secs Computing kpt #: 281 total cpu time spent up to now is 61.3 secs Computing kpt #: 282 total cpu time spent up to now is 61.5 secs Computing kpt #: 283 total cpu time spent up to now is 61.7 secs Computing kpt #: 284 total cpu time spent up to now is 61.9 secs Computing kpt #: 285 total cpu time spent up to now is 62.1 secs Computing kpt #: 286 total cpu time spent up to now is 62.3 secs Computing kpt #: 287 total cpu time spent up to now is 62.5 secs Computing kpt #: 288 total cpu time spent up to now is 62.7 secs Computing kpt #: 289 total cpu time spent up to now is 62.9 secs Computing kpt #: 290 total cpu time spent up to now is 63.1 secs Computing kpt #: 291 total cpu time spent up to now is 63.3 secs Computing kpt #: 292 total cpu time spent up to now is 63.4 secs Computing kpt #: 293 total cpu time spent up to now is 63.6 secs Computing kpt #: 294 total cpu time spent up to now is 63.8 secs Computing kpt #: 295 total cpu time spent up to now is 64.0 secs Computing kpt #: 296 total cpu time spent up to now is 64.2 secs Computing kpt #: 297 total cpu time spent up to now is 64.4 secs Computing kpt #: 298 total cpu time spent up to now is 64.6 secs Computing kpt #: 299 total cpu time spent up to now is 64.8 secs Computing kpt #: 300 total cpu time spent up to now is 65.0 secs Computing kpt #: 301 total cpu time spent up to now is 65.2 secs Computing kpt #: 302 total cpu time spent up to now is 65.5 secs Computing kpt #: 303 total cpu time spent up to now is 65.7 secs Computing kpt #: 304 total cpu time spent up to now is 65.9 secs Computing kpt #: 305 total cpu time spent up to now is 66.1 secs Computing kpt #: 306 total cpu time spent up to now is 66.3 secs Computing kpt #: 307 total cpu time spent up to now is 66.5 secs Computing kpt #: 308 total cpu time spent up to now is 66.7 secs Computing kpt #: 309 total cpu time spent up to now is 66.9 secs Computing kpt #: 310 total cpu time spent up to now is 67.2 secs Computing kpt #: 311 total cpu time spent up to now is 67.4 secs Computing kpt #: 312 total cpu time spent up to now is 67.6 secs Computing kpt #: 313 total cpu time spent up to now is 67.8 secs Computing kpt #: 314 total cpu time spent up to now is 68.0 secs Computing kpt #: 315 total cpu time spent up to now is 68.2 secs Computing kpt #: 316 total cpu time spent up to now is 68.4 secs Computing kpt #: 317 total cpu time spent up to now is 68.7 secs Computing kpt #: 318 total cpu time spent up to now is 68.9 secs Computing kpt #: 319 total cpu time spent up to now is 69.1 secs Computing kpt #: 320 total cpu time spent up to now is 69.3 secs Computing kpt #: 321 total cpu time spent up to now is 69.5 secs Computing kpt #: 322 total cpu time spent up to now is 69.7 secs Computing kpt #: 323 total cpu time spent up to now is 70.0 secs Computing kpt #: 324 total cpu time spent up to now is 70.2 secs Computing kpt #: 325 total cpu time spent up to now is 70.5 secs Computing kpt #: 326 total cpu time spent up to now is 70.6 secs Computing kpt #: 327 total cpu time spent up to now is 70.8 secs Computing kpt #: 328 total cpu time spent up to now is 71.0 secs Computing kpt #: 329 total cpu time spent up to now is 71.2 secs Computing kpt #: 330 total cpu time spent up to now is 71.4 secs Computing kpt #: 331 total cpu time spent up to now is 71.6 secs Computing kpt #: 332 total cpu time spent up to now is 71.8 secs Computing kpt #: 333 total cpu time spent up to now is 71.9 secs Computing kpt #: 334 total cpu time spent up to now is 72.1 secs Computing kpt #: 335 total cpu time spent up to now is 72.3 secs Computing kpt #: 336 total cpu time spent up to now is 72.5 secs Computing kpt #: 337 total cpu time spent up to now is 72.7 secs Computing kpt #: 338 total cpu time spent up to now is 72.9 secs Computing kpt #: 339 total cpu time spent up to now is 73.1 secs Computing kpt #: 340 total cpu time spent up to now is 73.3 secs Computing kpt #: 341 total cpu time spent up to now is 73.5 secs Computing kpt #: 342 total cpu time spent up to now is 73.7 secs Computing kpt #: 343 total cpu time spent up to now is 73.9 secs Computing kpt #: 344 total cpu time spent up to now is 74.1 secs Computing kpt #: 345 total cpu time spent up to now is 74.3 secs Computing kpt #: 346 total cpu time spent up to now is 74.5 secs Computing kpt #: 347 total cpu time spent up to now is 74.7 secs Computing kpt #: 348 total cpu time spent up to now is 74.9 secs Computing kpt #: 349 total cpu time spent up to now is 75.1 secs Computing kpt #: 350 total cpu time spent up to now is 75.3 secs Computing kpt #: 351 total cpu time spent up to now is 75.9 secs Computing kpt #: 352 total cpu time spent up to now is 76.1 secs Computing kpt #: 353 total cpu time spent up to now is 76.3 secs Computing kpt #: 354 total cpu time spent up to now is 76.5 secs Computing kpt #: 355 total cpu time spent up to now is 76.7 secs Computing kpt #: 356 total cpu time spent up to now is 76.9 secs Computing kpt #: 357 total cpu time spent up to now is 77.1 secs Computing kpt #: 358 total cpu time spent up to now is 77.3 secs Computing kpt #: 359 total cpu time spent up to now is 77.5 secs Computing kpt #: 360 total cpu time spent up to now is 77.7 secs Computing kpt #: 361 total cpu time spent up to now is 77.9 secs Computing kpt #: 362 total cpu time spent up to now is 78.1 secs Computing kpt #: 363 total cpu time spent up to now is 78.3 secs Computing kpt #: 364 total cpu time spent up to now is 78.5 secs Computing kpt #: 365 total cpu time spent up to now is 78.6 secs Computing kpt #: 366 total cpu time spent up to now is 78.8 secs Computing kpt #: 367 total cpu time spent up to now is 79.0 secs Computing kpt #: 368 total cpu time spent up to now is 79.2 secs Computing kpt #: 369 total cpu time spent up to now is 79.4 secs Computing kpt #: 370 total cpu time spent up to now is 79.5 secs Computing kpt #: 371 total cpu time spent up to now is 79.7 secs Computing kpt #: 372 total cpu time spent up to now is 79.9 secs Computing kpt #: 373 total cpu time spent up to now is 80.1 secs Computing kpt #: 374 total cpu time spent up to now is 80.3 secs Computing kpt #: 375 total cpu time spent up to now is 80.5 secs Computing kpt #: 376 total cpu time spent up to now is 80.6 secs Computing kpt #: 377 total cpu time spent up to now is 80.8 secs Computing kpt #: 378 total cpu time spent up to now is 81.0 secs Computing kpt #: 379 total cpu time spent up to now is 81.2 secs Computing kpt #: 380 total cpu time spent up to now is 81.4 secs Computing kpt #: 381 total cpu time spent up to now is 81.5 secs Computing kpt #: 382 total cpu time spent up to now is 81.7 secs Computing kpt #: 383 total cpu time spent up to now is 81.9 secs Computing kpt #: 384 total cpu time spent up to now is 82.1 secs Computing kpt #: 385 total cpu time spent up to now is 82.3 secs Computing kpt #: 386 total cpu time spent up to now is 82.5 secs Computing kpt #: 387 total cpu time spent up to now is 82.7 secs Computing kpt #: 388 total cpu time spent up to now is 82.9 secs Computing kpt #: 389 total cpu time spent up to now is 83.0 secs Computing kpt #: 390 total cpu time spent up to now is 83.2 secs Computing kpt #: 391 total cpu time spent up to now is 83.4 secs Computing kpt #: 392 total cpu time spent up to now is 83.6 secs Computing kpt #: 393 total cpu time spent up to now is 83.8 secs Computing kpt #: 394 total cpu time spent up to now is 84.0 secs Computing kpt #: 395 total cpu time spent up to now is 84.2 secs ethr = 3.85E-08, avg # of iterations = 19.5 total cpu time spent up to now is 84.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1813 PWs) bands (ev): -14.3110 -14.3110 -13.4596 -13.4596 -3.0979 -3.0979 -1.8666 -1.8666 -1.5545 -1.5545 -0.8933 -0.8933 -0.7029 -0.7029 -0.0977 -0.0977 0.1866 0.1866 3.5944 3.5944 3.6383 3.6383 4.4606 4.4606 4.5178 4.5178 6.8142 6.8142 11.3200 11.3200 14.7783 14.7783 17.7980 17.7980 k = 0.0096 0.0056-0.0000 ( 1817 PWs) bands (ev): -14.3107 -14.3107 -13.4597 -13.4597 -3.0971 -3.0971 -1.8666 -1.8666 -1.5546 -1.5546 -0.8935 -0.8935 -0.7032 -0.7032 -0.0981 -0.0981 0.1875 0.1875 3.5916 3.5916 3.6357 3.6357 4.4602 4.4602 4.5174 4.5174 6.8191 6.8191 11.3231 11.3231 14.7773 14.7773 17.7925 17.7925 k = 0.0192 0.0111-0.0000 ( 1819 PWs) bands (ev): -14.3097 -14.3097 -13.4600 -13.4600 -3.0944 -3.0944 -1.8666 -1.8666 -1.5550 -1.5550 -0.8939 -0.8939 -0.7041 -0.7041 -0.0990 -0.0990 0.1903 0.1903 3.5825 3.5825 3.6289 3.6289 4.4590 4.4590 4.5161 4.5161 6.8338 6.8338 11.3325 11.3325 14.7742 14.7742 17.7748 17.7748 k = 0.0288 0.0167-0.0000 ( 1815 PWs) bands (ev): -14.3080 -14.3080 -13.4606 -13.4606 -3.0901 -3.0901 -1.8664 -1.8664 -1.5554 -1.5554 -0.8947 -0.8947 -0.7055 -0.7055 -0.1003 -0.1003 0.1949 0.1949 3.5654 3.5654 3.6200 3.6200 4.4566 4.4566 4.5142 4.5142 6.8579 6.8579 11.3480 11.3480 14.7690 14.7690 17.7417 17.7417 k = 0.0385 0.0222-0.0000 ( 1811 PWs) bands (ev): -14.3058 -14.3058 -13.4614 -13.4614 -3.0840 -3.0840 -1.8663 -1.8663 -1.5560 -1.5560 -0.8956 -0.8956 -0.7074 -0.7074 -0.1022 -0.1022 0.2012 0.2012 3.5394 3.5394 3.6104 3.6104 4.4524 4.4524 4.5119 4.5119 6.8913 6.8913 11.3696 11.3696 14.7617 14.7617 17.6901 17.6901 k = 0.0481 0.0278-0.0000 ( 1823 PWs) bands (ev): -14.3029 -14.3029 -13.4624 -13.4624 -3.0762 -3.0762 -1.8664 -1.8664 -1.5569 -1.5569 -0.8971 -0.8971 -0.7101 -0.7101 -0.1048 -0.1048 0.2092 0.2092 3.5049 3.5049 3.6004 3.6004 4.4458 4.4458 4.5099 4.5099 6.9335 6.9335 11.3973 11.3973 14.7520 14.7520 17.6192 17.6192 k = 0.0577 0.0333-0.0000 ( 1827 PWs) bands (ev): -14.2993 -14.2993 -13.4637 -13.4637 -3.0668 -3.0668 -1.8665 -1.8665 -1.5578 -1.5578 -0.8988 -0.8988 -0.7131 -0.7131 -0.1079 -0.1079 0.2189 0.2189 3.4632 3.4632 3.5896 3.5896 4.4360 4.4360 4.5086 4.5086 6.9839 6.9839 11.4307 11.4307 14.7402 14.7402 17.5316 17.5316 k = 0.0673 0.0389-0.0000 ( 1825 PWs) bands (ev): -14.2952 -14.2952 -13.4652 -13.4652 -3.0556 -3.0556 -1.8667 -1.8667 -1.5585 -1.5585 -0.9006 -0.9006 -0.7165 -0.7165 -0.1114 -0.1114 0.2303 0.2303 3.4155 3.4155 3.5776 3.5776 4.4227 4.4227 4.5083 4.5083 7.0420 7.0420 11.4699 11.4699 14.7260 14.7260 17.4313 17.4313 k = 0.0769 0.0444-0.0000 ( 1825 PWs) bands (ev): -14.2904 -14.2904 -13.4669 -13.4669 -3.0428 -3.0428 -1.8670 -1.8670 -1.5592 -1.5592 -0.9027 -0.9027 -0.7205 -0.7205 -0.1156 -0.1156 0.2433 0.2433 3.3628 3.3628 3.5642 3.5642 4.4056 4.4056 4.5091 4.5091 7.1072 7.1072 11.5146 11.5146 14.7092 14.7092 17.3223 17.3223 k = 0.0865 0.0500-0.0000 ( 1821 PWs) bands (ev): -14.2850 -14.2850 -13.4688 -13.4688 -3.0283 -3.0283 -1.8676 -1.8676 -1.5596 -1.5596 -0.9050 -0.9050 -0.7248 -0.7248 -0.1201 -0.1201 0.2579 0.2579 3.3059 3.3059 3.5494 3.5494 4.3849 4.3849 4.5108 4.5108 7.1790 7.1790 11.5647 11.5647 14.6900 14.6900 17.2078 17.2078 k = 0.0962 0.0555-0.0000 ( 1823 PWs) bands (ev): -14.2791 -14.2791 -13.4709 -13.4709 -3.0123 -3.0123 -1.8686 -1.8686 -1.5599 -1.5599 -0.9076 -0.9076 -0.7295 -0.7295 -0.1252 -0.1252 0.2739 0.2739 3.2457 3.2457 3.5331 3.5331 4.3605 4.3605 4.5134 4.5134 7.2565 7.2565 11.6198 11.6198 14.6679 14.6679 17.0902 17.0902 k = 0.1058 0.0611-0.0000 ( 1823 PWs) bands (ev): -14.2725 -14.2725 -13.4733 -13.4733 -2.9947 -2.9947 -1.8698 -1.8698 -1.5598 -1.5598 -0.9104 -0.9104 -0.7346 -0.7346 -0.1309 -0.1309 0.2912 0.2912 3.1827 3.1827 3.5153 3.5153 4.3329 4.3329 4.5167 4.5167 7.3394 7.3394 11.6797 11.6797 14.6429 14.6429 16.9714 16.9714 k = 0.1154 0.0666-0.0000 ( 1825 PWs) bands (ev): -14.2654 -14.2654 -13.4758 -13.4758 -2.9757 -2.9757 -1.8714 -1.8714 -1.5594 -1.5594 -0.9135 -0.9135 -0.7400 -0.7400 -0.1370 -0.1370 0.3100 0.3100 3.1177 3.1177 3.4960 3.4960 4.3021 4.3021 4.5206 4.5206 7.4271 7.4271 11.7443 11.7443 14.6148 14.6148 16.8529 16.8529 k = 0.1250 0.0722-0.0000 ( 1821 PWs) bands (ev): -14.2578 -14.2578 -13.4786 -13.4786 -2.9552 -2.9552 -1.8733 -1.8733 -1.5584 -1.5584 -0.9167 -0.9167 -0.7455 -0.7455 -0.1437 -0.1437 0.3300 0.3300 3.0512 3.0512 3.4753 3.4753 4.2684 4.2684 4.5250 4.5250 7.5190 7.5190 11.8132 11.8132 14.5835 14.5835 16.7357 16.7357 k = 0.1346 0.0777-0.0000 ( 1825 PWs) bands (ev): -14.2496 -14.2496 -13.4816 -13.4816 -2.9333 -2.9333 -1.8758 -1.8758 -1.5571 -1.5571 -0.9202 -0.9202 -0.7512 -0.7512 -0.1508 -0.1508 0.3512 0.3512 2.9836 2.9836 3.4533 3.4533 4.2319 4.2319 4.5300 4.5300 7.6146 7.6146 11.8861 11.8861 14.5487 14.5487 16.6207 16.6207 k = 0.1442 0.0833-0.0000 ( 1825 PWs) bands (ev): -14.2409 -14.2409 -13.4848 -13.4848 -2.9101 -2.9101 -1.8786 -1.8786 -1.5552 -1.5552 -0.9240 -0.9240 -0.7569 -0.7569 -0.1585 -0.1585 0.3735 0.3735 2.9153 2.9153 3.4298 3.4298 4.1927 4.1927 4.5354 4.5354 7.7136 7.7136 11.9627 11.9627 14.5104 14.5104 16.5087 16.5087 k = 0.1538 0.0888-0.0000 ( 1821 PWs) bands (ev): -14.2318 -14.2318 -13.4882 -13.4882 -2.8857 -2.8857 -1.8817 -1.8817 -1.5528 -1.5528 -0.9281 -0.9281 -0.7625 -0.7625 -0.1665 -0.1665 0.3970 0.3970 2.8468 2.8468 3.4051 3.4051 4.1513 4.1513 4.5412 4.5412 7.8156 7.8156 12.0428 12.0428 14.4685 14.4685 16.4002 16.4002 k = 0.1635 0.0944-0.0000 ( 1821 PWs) bands (ev): -14.2221 -14.2221 -13.4918 -13.4918 -2.8602 -2.8602 -1.8851 -1.8850 -1.5500 -1.5500 -0.9325 -0.9325 -0.7678 -0.7678 -0.1752 -0.1752 0.4215 0.4215 2.7783 2.7783 3.3792 3.3792 4.1075 4.1075 4.5474 4.5474 7.9200 7.9200 12.1260 12.1260 14.4229 14.4229 16.2955 16.2955 k = 0.1731 0.0999-0.0000 ( 1829 PWs) bands (ev): -14.2121 -14.2121 -13.4956 -13.4956 -2.8337 -2.8337 -1.8888 -1.8888 -1.5469 -1.5469 -0.9376 -0.9376 -0.7729 -0.7729 -0.1843 -0.1843 0.4469 0.4469 2.7101 2.7101 3.3521 3.3521 4.0617 4.0617 4.5538 4.5538 8.0267 8.0267 12.2119 12.2119 14.3735 14.3735 16.1951 16.1951 k = 0.1827 0.1055-0.0000 ( 1827 PWs) bands (ev): -14.2016 -14.2016 -13.4996 -13.4996 -2.8061 -2.8061 -1.8924 -1.8924 -1.5433 -1.5433 -0.9430 -0.9430 -0.7774 -0.7774 -0.1939 -0.1939 0.4733 0.4733 2.6426 2.6426 3.3240 3.3240 4.0140 4.0140 4.5606 4.5606 8.1353 8.1353 12.3002 12.3002 14.3206 14.3206 16.0990 16.0990 k = 0.1923 0.1110-0.0000 ( 1821 PWs) bands (ev): -14.1907 -14.1907 -13.5038 -13.5038 -2.7778 -2.7778 -1.8959 -1.8959 -1.5394 -1.5394 -0.9490 -0.9490 -0.7812 -0.7812 -0.2040 -0.2040 0.5005 0.5005 2.5759 2.5759 3.2949 3.2949 3.9646 3.9646 4.5677 4.5677 8.2455 8.2455 12.3906 12.3906 14.2642 14.2642 16.0074 16.0074 k = 0.2019 0.1166-0.0000 ( 1829 PWs) bands (ev): -14.1795 -14.1795 -13.5082 -13.5082 -2.7489 -2.7489 -1.8993 -1.8993 -1.5355 -1.5355 -0.9558 -0.9558 -0.7844 -0.7844 -0.2146 -0.2146 0.5285 0.5285 2.5103 2.5103 3.2649 3.2649 3.9136 3.9136 4.5750 4.5750 8.3570 8.3570 12.4825 12.4825 14.2046 14.2046 15.9202 15.9202 k = 0.2115 0.1221-0.0000 ( 1823 PWs) bands (ev): -14.1679 -14.1679 -13.5127 -13.5127 -2.7195 -2.7195 -1.9022 -1.9022 -1.5314 -1.5314 -0.9632 -0.9632 -0.7865 -0.7865 -0.2255 -0.2255 0.5574 0.5574 2.4460 2.4460 3.2341 3.2341 3.8612 3.8612 4.5825 4.5825 8.4696 8.4696 12.5754 12.5754 14.1423 14.1423 15.8374 15.8374 k = 0.2212 0.1277-0.0000 ( 1823 PWs) bands (ev): -14.1560 -14.1560 -13.5174 -13.5174 -2.6898 -2.6898 -1.9046 -1.9046 -1.5272 -1.5272 -0.9714 -0.9714 -0.7875 -0.7875 -0.2370 -0.2370 0.5868 0.5868 2.3830 2.3830 3.2026 3.2026 3.8074 3.8074 4.5902 4.5902 8.5832 8.5832 12.6688 12.6688 14.0777 14.0777 15.7586 15.7586 k = 0.2308 0.1332-0.0000 ( 1827 PWs) bands (ev): -14.1438 -14.1438 -13.5224 -13.5224 -2.6601 -2.6601 -1.9063 -1.9063 -1.5231 -1.5231 -0.9805 -0.9805 -0.7874 -0.7874 -0.2490 -0.2490 0.6168 0.6168 2.3217 2.3217 3.1704 3.1704 3.7525 3.7525 4.5980 4.5980 8.6973 8.6973 12.7619 12.7619 14.0117 14.0117 15.6837 15.6837 k = 0.2404 0.1388-0.0000 ( 1823 PWs) bands (ev): -14.1314 -14.1314 -13.5274 -13.5274 -2.6305 -2.6305 -1.9068 -1.9068 -1.5191 -1.5191 -0.9903 -0.9903 -0.7861 -0.7861 -0.2614 -0.2614 0.6474 0.6474 2.2622 2.2622 3.1378 3.1378 3.6965 3.6965 4.6059 4.6059 8.8120 8.8120 12.8538 12.8538 13.9451 13.9451 15.6124 15.6124 k = 0.2500 0.1443-0.0000 ( 1822 PWs) bands (ev): -14.1187 -14.1187 -13.5327 -13.5327 -2.6014 -2.6014 -1.9060 -1.9060 -1.5153 -1.5153 -1.0007 -1.0007 -0.7837 -0.7837 -0.2742 -0.2742 0.6784 0.6784 2.2047 2.2047 3.1048 3.1048 3.6397 3.6397 4.6138 4.6138 8.9270 8.9270 12.9428 12.9428 13.8795 13.8795 15.5445 15.5445 k = 0.2596 0.1499-0.0000 ( 1822 PWs) bands (ev): -14.1059 -14.1059 -13.5381 -13.5381 -2.5730 -2.5730 -1.9038 -1.9038 -1.5117 -1.5117 -1.0119 -1.0119 -0.7800 -0.7800 -0.2875 -0.2875 0.7097 0.7097 2.1492 2.1492 3.0716 3.0716 3.5820 3.5820 4.6218 4.6218 9.0420 9.0420 13.0269 13.0269 13.8171 13.8171 15.4799 15.4799 k = 0.2692 0.1554-0.0000 ( 1822 PWs) bands (ev): -14.0929 -14.0929 -13.5437 -13.5437 -2.5457 -2.5457 -1.8997 -1.8997 -1.5083 -1.5083 -1.0236 -1.0236 -0.7752 -0.7752 -0.3012 -0.3012 0.7413 0.7413 2.0960 2.0960 3.0381 3.0381 3.5235 3.5235 4.6298 4.6298 9.1571 9.1571 13.1022 13.1022 13.7616 13.7616 15.4183 15.4183 k = 0.2788 0.1610-0.0000 ( 1822 PWs) bands (ev): -14.0797 -14.0797 -13.5494 -13.5494 -2.5198 -2.5198 -1.8935 -1.8935 -1.5053 -1.5053 -1.0357 -1.0357 -0.7694 -0.7694 -0.3154 -0.3154 0.7729 0.7729 2.0453 2.0453 3.0046 3.0046 3.4645 3.4645 4.6377 4.6377 9.2719 9.2719 13.1624 13.1624 13.7190 13.7190 15.3598 15.3598 k = 0.2885 0.1665-0.0000 ( 1822 PWs) bands (ev): -14.0665 -14.0665 -13.5553 -13.5553 -2.4956 -2.4956 -1.8850 -1.8850 -1.5026 -1.5026 -1.0482 -1.0482 -0.7626 -0.7626 -0.3300 -0.3300 0.8045 0.8045 1.9972 1.9972 2.9712 2.9712 3.4050 3.4050 4.6456 4.6456 9.3864 9.3864 13.1985 13.1985 13.6983 13.6983 15.3046 15.3046 k = 0.2981 0.1721-0.0000 ( 1822 PWs) bands (ev): -14.0532 -14.0532 -13.5614 -13.5614 -2.4734 -2.4734 -1.8740 -1.8740 -1.5001 -1.5001 -1.0608 -1.0608 -0.7551 -0.7551 -0.3450 -0.3450 0.8358 0.8358 1.9520 1.9520 2.9379 2.9379 3.3451 3.3451 4.6533 4.6533 9.5004 9.5004 13.2029 13.2029 13.7065 13.7065 15.2529 15.2529 k = 0.3077 0.1776-0.0000 ( 1822 PWs) bands (ev): -14.0398 -14.0398 -13.5676 -13.5676 -2.4533 -2.4533 -1.8604 -1.8604 -1.4978 -1.4978 -1.0736 -1.0736 -0.7468 -0.7468 -0.3604 -0.3604 0.8667 0.8667 1.9099 1.9099 2.9050 2.9050 3.2849 3.2849 4.6609 4.6609 9.6138 9.6138 13.1771 13.1771 13.7417 13.7417 15.2053 15.2053 k = 0.3173 0.1832-0.0000 ( 1824 PWs) bands (ev): -14.0265 -14.0265 -13.5739 -13.5739 -2.4356 -2.4356 -1.8443 -1.8443 -1.4957 -1.4957 -1.0865 -1.0865 -0.7379 -0.7379 -0.3763 -0.3763 0.8968 0.8968 1.8712 1.8712 2.8725 2.8725 3.2244 3.2244 4.6684 4.6684 9.7265 9.7265 13.1298 13.1298 13.7943 13.7943 15.1623 15.1623 k = 0.3269 0.1887-0.0000 ( 1828 PWs) bands (ev): -14.0132 -14.0132 -13.5804 -13.5804 -2.4202 -2.4202 -1.8256 -1.8256 -1.4935 -1.4935 -1.0992 -1.0992 -0.7287 -0.7287 -0.3925 -0.3925 0.9259 0.9259 1.8363 1.8363 2.8405 2.8405 3.1638 3.1638 4.6756 4.6756 9.8383 9.8383 13.0696 13.0696 13.8547 13.8547 15.1251 15.1251 k = 0.3365 0.1943-0.0000 ( 1826 PWs) bands (ev): -13.9999 -13.9999 -13.5871 -13.5871 -2.4072 -2.4072 -1.8047 -1.8047 -1.4912 -1.4912 -1.1116 -1.1116 -0.7192 -0.7192 -0.4089 -0.4089 0.9537 0.9537 1.8055 1.8055 2.8092 2.8092 3.1033 3.1033 4.6827 4.6827 9.9492 9.9492 13.0021 13.0021 13.9165 13.9165 15.0947 15.0947 k = 0.3462 0.1999-0.0000 ( 1830 PWs) bands (ev): -13.9868 -13.9868 -13.5938 -13.5938 -2.3964 -2.3964 -1.7821 -1.7821 -1.4885 -1.4885 -1.1239 -1.1239 -0.7098 -0.7098 -0.4255 -0.4255 0.9797 0.9797 1.7792 1.7792 2.7787 2.7787 3.0428 3.0428 4.6894 4.6894 10.0590 10.0590 12.9302 12.9302 13.9751 13.9751 15.0725 15.0725 k = 0.3558 0.2054-0.0000 ( 1832 PWs) bands (ev): -13.9738 -13.9738 -13.6006 -13.6006 -2.3877 -2.3877 -1.7583 -1.7583 -1.4851 -1.4851 -1.1357 -1.1357 -0.7006 -0.7006 -0.4422 -0.4422 1.0035 1.0035 1.7579 1.7579 2.7491 2.7491 2.9826 2.9826 4.6959 4.6959 10.1677 10.1677 12.8557 12.8557 14.0273 14.0273 15.0601 15.0601 k = 0.3654 0.2110-0.0000 ( 1836 PWs) bands (ev): -13.9609 -13.9609 -13.6075 -13.6075 -2.3808 -2.3808 -1.7340 -1.7340 -1.4807 -1.4807 -1.1471 -1.1471 -0.6920 -0.6920 -0.4588 -0.4588 1.0248 1.0248 1.7420 1.7420 2.7205 2.7205 2.9227 2.9227 4.7021 4.7021 10.2752 10.2752 12.7795 12.7795 14.0710 14.0710 15.0588 15.0588 k = 0.3750 0.2165-0.0000 ( 1832 PWs) bands (ev): -13.9483 -13.9483 -13.6145 -13.6145 -2.3754 -2.3754 -1.7099 -1.7099 -1.4746 -1.4746 -1.1579 -1.1579 -0.6843 -0.6843 -0.4749 -0.4749 1.0431 1.0431 1.7319 1.7319 2.6930 2.6930 2.8633 2.8633 4.7079 4.7079 10.3815 10.3815 12.7023 12.7023 14.1047 14.1047 15.0695 15.0695 k = 0.3846 0.2221-0.0000 ( 1832 PWs) bands (ev): -13.9360 -13.9360 -13.6215 -13.6215 -2.3713 -2.3713 -1.6873 -1.6873 -1.4662 -1.4662 -1.1681 -1.1681 -0.6780 -0.6780 -0.4902 -0.4902 1.0580 1.0580 1.7279 1.7279 2.6666 2.6666 2.8047 2.8047 4.7135 4.7135 10.4863 10.4863 12.6243 12.6243 14.1281 14.1281 15.0921 15.0921 k = 0.3942 0.2276-0.0000 ( 1832 PWs) bands (ev): -13.9239 -13.9239 -13.6286 -13.6286 -2.3683 -2.3683 -1.6669 -1.6669 -1.4551 -1.4551 -1.1777 -1.1777 -0.6736 -0.6736 -0.5043 -0.5043 1.0696 1.0696 1.7300 1.7300 2.6412 2.6412 2.7471 2.7471 4.7186 4.7186 10.5898 10.5898 12.5458 12.5458 14.1418 14.1418 15.1259 15.1259 k = 0.4038 0.2332-0.0000 ( 1828 PWs) bands (ev): -13.9123 -13.9123 -13.6356 -13.6356 -2.3662 -2.3662 -1.6494 -1.6494 -1.4408 -1.4408 -1.1867 -1.1867 -0.6718 -0.6718 -0.5163 -0.5163 1.0779 1.0779 1.7382 1.7382 2.6163 2.6163 2.6915 2.6915 4.7234 4.7234 10.6918 10.6918 12.4668 12.4668 14.1474 14.1474 15.1693 15.1693 k = 0.4135 0.2387-0.0000 ( 1832 PWs) bands (ev): -13.9011 -13.9011 -13.6425 -13.6425 -2.3649 -2.3649 -1.6355 -1.6355 -1.4234 -1.4234 -1.1950 -1.1950 -0.6732 -0.6732 -0.5259 -0.5259 1.0833 1.0833 1.7520 1.7520 2.5895 2.5895 2.6404 2.6404 4.7278 4.7278 10.7923 10.7923 12.3873 12.3873 14.1465 14.1465 15.2203 15.2203 k = 0.4231 0.2443-0.0000 ( 1832 PWs) bands (ev): -13.8905 -13.8905 -13.6493 -13.6493 -2.3640 -2.3640 -1.6249 -1.6249 -1.4033 -1.4033 -1.2026 -1.2026 -0.6781 -0.6781 -0.5325 -0.5325 1.0861 1.0861 1.7709 1.7709 2.5542 2.5542 2.6008 2.6008 4.7317 4.7317 10.8913 10.8913 12.3075 12.3075 14.1412 14.1412 15.2770 15.2770 k = 0.4327 0.2498-0.0000 ( 1832 PWs) bands (ev): -13.8805 -13.8805 -13.6558 -13.6558 -2.3635 -2.3635 -1.6172 -1.6172 -1.3814 -1.3814 -1.2095 -1.2095 -0.6860 -0.6860 -0.5363 -0.5363 1.0869 1.0869 1.7942 1.7942 2.5081 2.5081 2.5754 2.5754 4.7352 4.7352 10.9886 10.9886 12.2271 12.2271 14.1332 14.1332 15.3375 15.3375 k = 0.4423 0.2554-0.0000 ( 1840 PWs) bands (ev): -13.8713 -13.8713 -13.6621 -13.6621 -2.3634 -2.3634 -1.6118 -1.6118 -1.3587 -1.3587 -1.2158 -1.2158 -0.6964 -0.6964 -0.5381 -0.5381 1.0863 1.0863 1.8209 1.8209 2.4585 2.4585 2.5573 2.5573 4.7383 4.7383 11.0844 11.0844 12.1463 12.1463 14.1238 14.1238 15.4002 15.4002 k = 0.4519 0.2609-0.0000 ( 1844 PWs) bands (ev): -13.8630 -13.8630 -13.6679 -13.6679 -2.3634 -2.3634 -1.6081 -1.6081 -1.3364 -1.3364 -1.2216 -1.2216 -0.7079 -0.7079 -0.5382 -0.5382 1.0849 1.0849 1.8500 1.8500 2.4097 2.4097 2.5430 2.5430 4.7409 4.7409 11.1784 11.1784 12.0651 12.0651 14.1143 14.1143 15.4635 15.4635 k = 0.4615 0.2665-0.0000 ( 1846 PWs) bands (ev): -13.8558 -13.8558 -13.6730 -13.6730 -2.3635 -2.3635 -1.6057 -1.6057 -1.3155 -1.3155 -1.2269 -1.2269 -0.7194 -0.7194 -0.5373 -0.5373 1.0830 1.0830 1.8803 1.8803 2.3634 2.3634 2.5316 2.5316 4.7430 4.7430 11.2707 11.2707 11.9834 11.9834 14.1054 14.1054 15.5257 15.5257 k = 0.4712 0.2720-0.0000 ( 1848 PWs) bands (ev): -13.8499 -13.8499 -13.6773 -13.6773 -2.3636 -2.3636 -1.6041 -1.6041 -1.2968 -1.2968 -1.2320 -1.2320 -0.7298 -0.7298 -0.5362 -0.5362 1.0812 1.0812 1.9099 1.9099 2.3216 2.3216 2.5228 2.5228 4.7447 4.7447 11.3607 11.3607 11.9016 11.9016 14.0980 14.0980 15.5845 15.5845 k = 0.4808 0.2776-0.0000 ( 1844 PWs) bands (ev): -13.8455 -13.8455 -13.6805 -13.6805 -2.3637 -2.3637 -1.6031 -1.6031 -1.2812 -1.2812 -1.2370 -1.2370 -0.7380 -0.7380 -0.5351 -0.5351 1.0797 1.0797 1.9362 1.9362 2.2867 2.2867 2.5165 2.5165 4.7460 4.7460 11.4476 11.4476 11.8207 11.8207 14.0923 14.0923 15.6363 15.6363 k = 0.4904 0.2831-0.0000 ( 1844 PWs) bands (ev): -13.8427 -13.8427 -13.6825 -13.6825 -2.3638 -2.3638 -1.6026 -1.6026 -1.2696 -1.2696 -1.2419 -1.2419 -0.7433 -0.7433 -0.5344 -0.5344 1.0787 1.0787 1.9552 1.9552 2.2627 2.2627 2.5128 2.5128 4.7467 4.7467 11.5270 11.5270 11.7448 11.7448 14.0888 14.0888 15.6745 15.6745 k = 0.5000 0.2887-0.0000 ( 1848 PWs) bands (ev): -13.8418 -13.8418 -13.6832 -13.6832 -2.3639 -2.3639 -1.6025 -1.6025 -1.2647 -1.2647 -1.2445 -1.2445 -0.7452 -0.7452 -0.5342 -0.5342 1.0784 1.0784 1.9622 1.9622 2.2539 2.2539 2.5115 2.5115 4.7469 4.7469 11.5716 11.5716 11.7015 11.7015 14.0876 14.0876 15.6892 15.6892 k = 0.5000 0.2887-0.0000 ( 1848 PWs) bands (ev): -13.8418 -13.8418 -13.6832 -13.6832 -2.3639 -2.3639 -1.6025 -1.6025 -1.2647 -1.2647 -1.2445 -1.2445 -0.7452 -0.7452 -0.5342 -0.5342 1.0784 1.0784 1.9622 1.9622 2.2539 2.2539 2.5115 2.5115 4.7469 4.7469 11.5716 11.5716 11.7015 11.7015 14.0876 14.0876 15.6892 15.6892 k = 0.4944 0.2983-0.0000 ( 1850 PWs) bands (ev): -13.8417 -13.8417 -13.6833 -13.6833 -2.3634 -2.3634 -1.6039 -1.6039 -1.2775 -1.2775 -1.2314 -1.2314 -0.7445 -0.7445 -0.5333 -0.5333 1.0778 1.0778 1.9581 1.9581 2.2552 2.2552 2.5147 2.5147 4.7442 4.7442 11.5725 11.5725 11.7043 11.7043 14.0876 14.0876 15.6873 15.6873 k = 0.4889 0.3079-0.0000 ( 1846 PWs) bands (ev): -13.8413 -13.8413 -13.6834 -13.6834 -2.3618 -2.3618 -1.6079 -1.6079 -1.2960 -1.2960 -1.2117 -1.2117 -0.7425 -0.7425 -0.5303 -0.5303 1.0761 1.0761 1.9461 1.9461 2.2591 2.2591 2.5240 2.5240 4.7362 4.7362 11.5752 11.5752 11.7129 11.7129 14.0874 14.0874 15.6816 15.6816 k = 0.4833 0.3175-0.0000 ( 1850 PWs) bands (ev): -13.8407 -13.8407 -13.6835 -13.6835 -2.3593 -2.3593 -1.6148 -1.6148 -1.3138 -1.3138 -1.1921 -1.1921 -0.7394 -0.7394 -0.5253 -0.5253 1.0733 1.0733 1.9268 1.9268 2.2656 2.2656 2.5386 2.5386 4.7228 4.7228 11.5796 11.5796 11.7270 11.7270 14.0870 14.0870 15.6723 15.6723 k = 0.4778 0.3272-0.0000 ( 1852 PWs) bands (ev): -13.8399 -13.8399 -13.6838 -13.6838 -2.3558 -2.3558 -1.6243 -1.6243 -1.3298 -1.3298 -1.1736 -1.1736 -0.7354 -0.7354 -0.5179 -0.5179 1.0693 1.0693 1.9014 1.9014 2.2746 2.2746 2.5575 2.5575 4.7043 4.7043 11.5857 11.5857 11.7467 11.7467 14.0864 14.0864 15.6592 15.6592 k = 0.4722 0.3368-0.0000 ( 1850 PWs) bands (ev): -13.8388 -13.8388 -13.6841 -13.6841 -2.3512 -2.3512 -1.6365 -1.6365 -1.3435 -1.3435 -1.1568 -1.1568 -0.7306 -0.7306 -0.5076 -0.5076 1.0643 1.0643 1.8710 1.8710 2.2860 2.2860 2.5798 2.5798 4.6807 4.6807 11.5935 11.5935 11.7717 11.7717 14.0855 14.0855 15.6427 15.6427 k = 0.4667 0.3464-0.0000 ( 1842 PWs) bands (ev): -13.8375 -13.8375 -13.6844 -13.6844 -2.3456 -2.3456 -1.6511 -1.6511 -1.3548 -1.3548 -1.1419 -1.1419 -0.7255 -0.7255 -0.4940 -0.4940 1.0582 1.0582 1.8365 1.8365 2.2999 2.2999 2.6045 2.6045 4.6522 4.6522 11.6029 11.6029 11.8018 11.8018 14.0843 14.0843 15.6227 15.6227 k = 0.4611 0.3560-0.0000 ( 1838 PWs) bands (ev): -13.8359 -13.8359 -13.6849 -13.6849 -2.3391 -2.3391 -1.6680 -1.6680 -1.3638 -1.3638 -1.1292 -1.1292 -0.7206 -0.7206 -0.4769 -0.4769 1.0512 1.0512 1.7986 1.7986 2.3162 2.3162 2.6309 2.6309 4.6190 4.6190 11.6137 11.6137 11.8369 11.8369 14.0825 14.0825 15.5995 15.5995 k = 0.4556 0.3657-0.0000 ( 1842 PWs) bands (ev): -13.8341 -13.8341 -13.6854 -13.6854 -2.3319 -2.3319 -1.6869 -1.6869 -1.3706 -1.3706 -1.1189 -1.1189 -0.7162 -0.7162 -0.4562 -0.4562 1.0432 1.0432 1.7580 1.7580 2.3348 2.3348 2.6584 2.6584 4.5814 4.5814 11.6258 11.6258 11.8765 11.8765 14.0801 14.0801 15.5731 15.5731 k = 0.4500 0.3753-0.0000 ( 1842 PWs) bands (ev): -13.8321 -13.8321 -13.6861 -13.6861 -2.3238 -2.3238 -1.7071 -1.7071 -1.3754 -1.3754 -1.1108 -1.1108 -0.7125 -0.7125 -0.4315 -0.4315 1.0343 1.0343 1.7152 1.7152 2.3556 2.3556 2.6865 2.6865 4.5396 4.5396 11.6392 11.6392 11.9206 11.9206 14.0768 14.0768 15.5438 15.5438 k = 0.4444 0.3849-0.0000 ( 1846 PWs) bands (ev): -13.8299 -13.8299 -13.6869 -13.6869 -2.3150 -2.3150 -1.7283 -1.7283 -1.3784 -1.3784 -1.1049 -1.1049 -0.7097 -0.7097 -0.4031 -0.4031 1.0245 1.0245 1.6707 1.6707 2.3785 2.3785 2.7150 2.7150 4.4937 4.4937 11.6537 11.6537 11.9687 11.9687 14.0724 14.0724 15.5119 15.5119 k = 0.4389 0.3945-0.0000 ( 1840 PWs) bands (ev): -13.8275 -13.8275 -13.6877 -13.6877 -2.3054 -2.3054 -1.7501 -1.7501 -1.3800 -1.3800 -1.1008 -1.1008 -0.7077 -0.7077 -0.3711 -0.3711 1.0141 1.0141 1.6247 1.6247 2.4035 2.4035 2.7437 2.7437 4.4444 4.4444 11.6691 11.6691 12.0206 12.0206 14.0668 14.0668 15.4778 15.4778 k = 0.4333 0.4041-0.0000 ( 1836 PWs) bands (ev): -13.8248 -13.8248 -13.6887 -13.6887 -2.2952 -2.2952 -1.7723 -1.7723 -1.3803 -1.3803 -1.0984 -1.0984 -0.7065 -0.7065 -0.3359 -0.3359 1.0030 1.0030 1.5776 1.5776 2.4304 2.4304 2.7722 2.7722 4.3916 4.3916 11.6853 11.6853 12.0758 12.0758 14.0595 14.0595 15.4418 15.4418 k = 0.4278 0.4138-0.0000 ( 1836 PWs) bands (ev): -13.8219 -13.8219 -13.6899 -13.6899 -2.2845 -2.2845 -1.7944 -1.7944 -1.3796 -1.3796 -1.0976 -1.0976 -0.7060 -0.7060 -0.2979 -0.2979 0.9912 0.9912 1.5296 1.5296 2.4592 2.4592 2.8005 2.8005 4.3358 4.3358 11.7021 11.7021 12.1342 12.1342 14.0503 14.0503 15.4042 15.4042 k = 0.4222 0.4234-0.0000 ( 1838 PWs) bands (ev): -13.8188 -13.8188 -13.6912 -13.6912 -2.2733 -2.2733 -1.8164 -1.8164 -1.3781 -1.3781 -1.0981 -1.0981 -0.7062 -0.7062 -0.2576 -0.2576 0.9788 0.9788 1.4808 1.4808 2.4898 2.4898 2.8284 2.8284 4.2771 4.2771 11.7194 11.7194 12.1953 12.1953 14.0388 14.0388 15.3656 15.3656 k = 0.4167 0.4330-0.0000 ( 1838 PWs) bands (ev): -13.8155 -13.8155 -13.6927 -13.6927 -2.2618 -2.2618 -1.8379 -1.8379 -1.3759 -1.3759 -1.0996 -1.0996 -0.7067 -0.7067 -0.2152 -0.2152 0.9660 0.9660 1.4316 1.4316 2.5219 2.5219 2.8561 2.8561 4.2159 4.2159 11.7370 11.7370 12.2588 12.2588 14.0247 14.0247 15.3266 15.3266 k = 0.4111 0.4426-0.0000 ( 1834 PWs) bands (ev): -13.8120 -13.8120 -13.6944 -13.6944 -2.2500 -2.2500 -1.8588 -1.8588 -1.3732 -1.3732 -1.1018 -1.1018 -0.7077 -0.7077 -0.1710 -0.1710 0.9528 0.9528 1.3821 1.3821 2.5556 2.5556 2.8833 2.8833 4.1527 4.1527 11.7549 11.7549 12.3244 12.3244 14.0074 14.0074 15.2875 15.2875 k = 0.4056 0.4523-0.0000 ( 1834 PWs) bands (ev): -13.8083 -13.8083 -13.6962 -13.6962 -2.2380 -2.2380 -1.8790 -1.8790 -1.3701 -1.3701 -1.1047 -1.1047 -0.7089 -0.7089 -0.1254 -0.1254 0.9392 0.9392 1.3326 1.3326 2.5907 2.5907 2.9101 2.9101 4.0874 4.0874 11.7727 11.7727 12.3919 12.3919 13.9866 13.9866 15.2492 15.2492 k = 0.4000 0.4619-0.0000 ( 1834 PWs) bands (ev): -13.8044 -13.8044 -13.6983 -13.6983 -2.2260 -2.2260 -1.8984 -1.8984 -1.3666 -1.3666 -1.1082 -1.1082 -0.7102 -0.7102 -0.0787 -0.0787 0.9251 0.9251 1.2834 1.2834 2.6271 2.6271 2.9365 2.9365 4.0206 4.0206 11.7903 11.7903 12.4608 12.4608 13.9618 13.9618 15.2121 15.2121 k = 0.3944 0.4715-0.0000 ( 1833 PWs) bands (ev): -13.8003 -13.8003 -13.7006 -13.7006 -2.2140 -2.2140 -1.9167 -1.9167 -1.3630 -1.3630 -1.1119 -1.1119 -0.7117 -0.7117 -0.0310 -0.0310 0.9105 0.9105 1.2347 1.2347 2.6646 2.6646 2.9624 2.9624 3.9524 3.9524 11.8078 11.8078 12.5310 12.5310 13.9327 13.9327 15.1769 15.1769 k = 0.3889 0.4811-0.0000 ( 1837 PWs) bands (ev): -13.7961 -13.7961 -13.7031 -13.7031 -2.2023 -2.2023 -1.9341 -1.9341 -1.3593 -1.3593 -1.1158 -1.1158 -0.7132 -0.7132 0.0172 0.0172 0.8952 0.8952 1.1872 1.1872 2.7032 2.7032 2.9880 2.9880 3.8831 3.8831 11.8247 11.8247 12.6021 12.6021 13.8989 13.8989 15.1440 15.1440 k = 0.3833 0.4907-0.0000 ( 1837 PWs) bands (ev): -13.7916 -13.7916 -13.7059 -13.7059 -2.1909 -2.1909 -1.9502 -1.9502 -1.3556 -1.3556 -1.1196 -1.1196 -0.7147 -0.7147 0.0659 0.0659 0.8788 0.8788 1.1413 1.1413 2.7426 2.7426 3.0132 3.0132 3.8130 3.8130 11.8411 11.8411 12.6739 12.6739 13.8602 13.8602 15.1139 15.1139 k = 0.3778 0.5004-0.0000 ( 1837 PWs) bands (ev): -13.7870 -13.7870 -13.7090 -13.7090 -2.1799 -2.1799 -1.9651 -1.9651 -1.3520 -1.3520 -1.1234 -1.1234 -0.7161 -0.7161 0.1148 0.1148 0.8608 0.8608 1.0981 1.0981 2.7828 2.7828 3.0380 3.0380 3.7424 3.7424 11.8567 11.8567 12.7463 12.7463 13.8165 13.8165 15.0870 15.0870 k = 0.3722 0.5100-0.0000 ( 1837 PWs) bands (ev): -13.7822 -13.7822 -13.7123 -13.7123 -2.1697 -2.1697 -1.9786 -1.9786 -1.3485 -1.3485 -1.1269 -1.1269 -0.7175 -0.7175 0.1635 0.1635 0.8403 0.8403 1.0587 1.0587 2.8236 2.8236 3.0625 3.0625 3.6716 3.6716 11.8715 11.8715 12.8189 12.8189 13.7678 13.7678 15.0636 15.0636 k = 0.3667 0.5196-0.0000 ( 1837 PWs) bands (ev): -13.7773 -13.7773 -13.7159 -13.7159 -2.1603 -2.1603 -1.9905 -1.9905 -1.3454 -1.3454 -1.1301 -1.1301 -0.7187 -0.7187 0.2116 0.2116 0.8167 0.8167 1.0242 1.0242 2.8648 2.8648 3.0868 3.0868 3.6010 3.6010 11.8852 11.8852 12.8916 12.8916 13.7143 13.7143 15.0437 15.0437 k = 0.3611 0.5292-0.0000 ( 1833 PWs) bands (ev): -13.7722 -13.7722 -13.7198 -13.7198 -2.1520 -2.1520 -2.0007 -2.0007 -1.3425 -1.3425 -1.1328 -1.1328 -0.7198 -0.7198 0.2587 0.2587 0.7894 0.7894 0.9959 0.9959 2.9061 2.9061 3.1107 3.1107 3.5309 3.5309 11.8976 11.8976 12.9642 12.9642 13.6565 13.6565 15.0273 15.0273 k = 0.3556 0.5389-0.0000 ( 1833 PWs) bands (ev): -13.7669 -13.7669 -13.7241 -13.7241 -2.1451 -2.1451 -2.0091 -2.0091 -1.3401 -1.3401 -1.1351 -1.1351 -0.7208 -0.7208 0.3039 0.3039 0.7589 0.7589 0.9741 0.9741 2.9472 2.9472 3.1343 3.1343 3.4619 3.4619 11.9086 11.9086 13.0366 13.0366 13.5948 13.5948 15.0144 15.0144 k = 0.3500 0.5485-0.0000 ( 1833 PWs) bands (ev): -13.7616 -13.7616 -13.7286 -13.7286 -2.1397 -2.1397 -2.0156 -2.0156 -1.3382 -1.3382 -1.1369 -1.1369 -0.7216 -0.7216 0.3459 0.3459 0.7270 0.7270 0.9584 0.9584 2.9874 2.9874 3.1573 3.1573 3.3949 3.3949 11.9178 11.9178 13.1087 13.1087 13.5298 13.5298 15.0047 15.0047 k = 0.3444 0.5581-0.0000 ( 1839 PWs) bands (ev): -13.7561 -13.7561 -13.7335 -13.7335 -2.1359 -2.1359 -2.0200 -2.0200 -1.3369 -1.3369 -1.1382 -1.1382 -0.7223 -0.7223 0.3822 0.3822 0.6969 0.6969 0.9481 0.9481 3.0254 3.0254 3.1793 3.1793 3.3321 3.3321 11.9249 11.9249 13.1802 13.1802 13.4624 13.4624 14.9981 14.9981 k = 0.3389 0.5677-0.0000 ( 1835 PWs) bands (ev): -13.7506 -13.7506 -13.7387 -13.7387 -2.1338 -2.1338 -2.0225 -2.0225 -1.3360 -1.3360 -1.1389 -1.1389 -0.7227 -0.7227 0.4084 0.4084 0.6740 0.6740 0.9424 0.9424 3.0577 3.0577 3.1976 3.1976 3.2797 3.2797 11.9296 11.9296 13.2507 13.2507 13.3936 13.3936 14.9943 14.9943 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -13.7462 -13.7462 -13.7429 -13.7429 -2.1331 -2.1331 -2.0231 -2.0231 -1.3356 -1.3356 -1.1390 -1.1390 -0.7227 -0.7227 0.4184 0.4184 0.6652 0.6652 0.9406 0.9406 3.0731 3.0731 3.2035 3.2035 3.2579 3.2579 11.9313 11.9313 13.3094 13.3094 13.3353 13.3353 14.9931 14.9931 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -13.7462 -13.7462 -13.7429 -13.7429 -2.1331 -2.1331 -2.0231 -2.0231 -1.3356 -1.3356 -1.1390 -1.1390 -0.7227 -0.7227 0.4184 0.4184 0.6652 0.6652 0.9406 0.9406 3.0731 3.0731 3.2035 3.2035 3.2579 3.2579 11.9313 11.9313 13.3094 13.3094 13.3353 13.3353 14.9931 14.9931 k = 0.3278 0.5677-0.0000 ( 1839 PWs) bands (ev): -13.7508 -13.7508 -13.7385 -13.7385 -2.1337 -2.1337 -2.0226 -2.0226 -1.3360 -1.3360 -1.1389 -1.1389 -0.7227 -0.7227 0.4084 0.4084 0.6740 0.6740 0.9423 0.9423 3.0538 3.0538 3.2111 3.2111 3.2701 3.2701 11.9293 11.9293 13.2514 13.2514 13.3933 13.3933 14.9942 14.9942 k = 0.3222 0.5581-0.0000 ( 1839 PWs) bands (ev): -13.7571 -13.7571 -13.7326 -13.7326 -2.1350 -2.1350 -2.0211 -2.0211 -1.3368 -1.3368 -1.1384 -1.1384 -0.7222 -0.7222 0.3824 0.3824 0.6977 0.6977 0.9471 0.9471 3.0079 3.0079 3.2367 3.2367 3.2927 3.2927 11.9231 11.9231 13.1837 13.1837 13.4616 13.4616 14.9975 14.9975 k = 0.3167 0.5485-0.0000 ( 1839 PWs) bands (ev): -13.7638 -13.7638 -13.7266 -13.7266 -2.1368 -2.1368 -2.0191 -2.0191 -1.3382 -1.3382 -1.1375 -1.1375 -0.7214 -0.7214 0.3465 0.3465 0.7298 0.7298 0.9550 0.9550 2.9531 2.9531 3.2692 3.2692 3.3190 3.3190 11.9116 11.9116 13.1185 13.1185 13.5294 13.5294 15.0026 15.0026 k = 0.3111 0.5389-0.0000 ( 1839 PWs) bands (ev): -13.7709 -13.7709 -13.7204 -13.7204 -2.1388 -2.1388 -2.0170 -2.0170 -1.3400 -1.3400 -1.1364 -1.1364 -0.7203 -0.7203 0.3054 0.3054 0.7657 0.7657 0.9657 0.9657 2.8963 2.8963 3.3025 3.3025 3.3484 3.3484 11.8939 11.8939 13.0573 13.0573 13.5963 13.5963 15.0094 15.0094 k = 0.3056 0.5292-0.0000 ( 1835 PWs) bands (ev): -13.7784 -13.7784 -13.7142 -13.7142 -2.1408 -2.1408 -2.0150 -2.0150 -1.3423 -1.3423 -1.1352 -1.1352 -0.7186 -0.7186 0.2617 0.2617 0.8030 0.8030 0.9793 0.9793 2.8401 2.8401 3.3340 3.3340 3.3812 3.3812 11.8690 11.8690 13.0018 13.0018 13.6621 13.6621 15.0178 15.0178 k = 0.3000 0.5196-0.0000 ( 1835 PWs) bands (ev): -13.7863 -13.7863 -13.7078 -13.7078 -2.1426 -2.1426 -2.0133 -2.0133 -1.3451 -1.3451 -1.1338 -1.1338 -0.7167 -0.7167 0.2167 0.2167 0.8401 0.8401 0.9957 0.9957 2.7856 2.7856 3.3634 3.3634 3.4167 3.4167 11.8359 11.8359 12.9532 12.9532 13.7266 13.7266 15.0276 15.0276 k = 0.2944 0.5100-0.0000 ( 1835 PWs) bands (ev): -13.7946 -13.7946 -13.7015 -13.7015 -2.1443 -2.1443 -2.0121 -2.0121 -1.3483 -1.3483 -1.1324 -1.1324 -0.7143 -0.7143 0.1713 0.1713 0.8759 0.8759 1.0147 1.0147 2.7336 2.7336 3.3914 3.3914 3.4540 3.4540 11.7939 11.7939 12.9125 12.9125 13.7896 13.7896 15.0386 15.0386 k = 0.2889 0.5004-0.0000 ( 1835 PWs) bands (ev): -13.8033 -13.8033 -13.6950 -13.6950 -2.1457 -2.1457 -2.0115 -2.0115 -1.3520 -1.3520 -1.1309 -1.1309 -0.7116 -0.7116 0.1262 0.1262 0.9099 0.9099 1.0365 1.0365 2.6847 2.6847 3.4187 3.4187 3.4919 3.4919 11.7427 11.7427 12.8805 12.8805 13.8508 13.8508 15.0507 15.0507 k = 0.2833 0.4907-0.0000 ( 1835 PWs) bands (ev): -13.8124 -13.8124 -13.6885 -13.6885 -2.1470 -2.1470 -2.0116 -2.0116 -1.3561 -1.3561 -1.1292 -1.1292 -0.7086 -0.7086 0.0817 0.0817 0.9414 0.9414 1.0608 1.0608 2.6392 2.6392 3.4458 3.4458 3.5298 3.5298 11.6822 11.6822 12.8574 12.8574 13.9099 13.9099 15.0639 15.0639 k = 0.2778 0.4811-0.0000 ( 1833 PWs) bands (ev): -13.8218 -13.8218 -13.6820 -13.6820 -2.1480 -2.1480 -2.0125 -2.0125 -1.3606 -1.3606 -1.1274 -1.1274 -0.7052 -0.7052 0.0382 0.0382 0.9702 0.9702 1.0874 1.0874 2.5977 2.5977 3.4729 3.4729 3.5675 3.5675 11.6131 11.6131 12.8430 12.8430 13.9664 13.9664 15.0780 15.0780 k = 0.2722 0.4715-0.0000 ( 1833 PWs) bands (ev): -13.8317 -13.8317 -13.6754 -13.6754 -2.1491 -2.1491 -2.0141 -2.0141 -1.3656 -1.3656 -1.1253 -1.1253 -0.7017 -0.7017 -0.0041 -0.0041 0.9959 0.9959 1.1160 1.1160 2.5606 2.5606 3.5002 3.5002 3.6045 3.6045 11.5360 11.5360 12.8368 12.8368 14.0197 14.0197 15.0929 15.0929 k = 0.2667 0.4619-0.0000 ( 1837 PWs) bands (ev): -13.8418 -13.8418 -13.6688 -13.6688 -2.1503 -2.1503 -2.0164 -2.0164 -1.3709 -1.3709 -1.1230 -1.1230 -0.6983 -0.6983 -0.0448 -0.0448 1.0182 1.0182 1.1463 1.1463 2.5283 2.5283 3.5278 3.5278 3.6408 3.6408 11.4519 11.4519 12.8381 12.8381 14.0690 14.0690 15.1086 15.1086 k = 0.2611 0.4523-0.0000 ( 1833 PWs) bands (ev): -13.8523 -13.8523 -13.6621 -13.6621 -2.1518 -2.1518 -2.0193 -2.0193 -1.3765 -1.3765 -1.1202 -1.1202 -0.6949 -0.6949 -0.0835 -0.0835 1.0371 1.0371 1.1783 1.1783 2.5013 2.5013 3.5558 3.5558 3.6763 3.6763 11.3616 11.3616 12.8462 12.8462 14.1135 14.1135 15.1250 15.1250 k = 0.2556 0.4426-0.0000 ( 1829 PWs) bands (ev): -13.8632 -13.8632 -13.6555 -13.6555 -2.1539 -2.1539 -2.0227 -2.0227 -1.3824 -1.3824 -1.1170 -1.1170 -0.6918 -0.6918 -0.1202 -0.1202 1.0520 1.0520 1.2118 1.2118 2.4798 2.4798 3.5841 3.5841 3.7108 3.7108 11.2662 11.2662 12.8604 12.8604 14.1520 14.1520 15.1422 15.1422 k = 0.2500 0.4330-0.0000 ( 1829 PWs) bands (ev): -13.8744 -13.8744 -13.6488 -13.6488 -2.1569 -2.1569 -2.0263 -2.0263 -1.3885 -1.3885 -1.1132 -1.1132 -0.6894 -0.6894 -0.1544 -0.1544 1.0626 1.0626 1.2467 1.2467 2.4642 2.4642 3.6128 3.6128 3.7442 3.7442 11.1664 11.1664 12.8801 12.8801 14.1831 14.1831 15.1600 15.1600 k = 0.2444 0.4234-0.0000 ( 1829 PWs) bands (ev): -13.8858 -13.8858 -13.6422 -13.6422 -2.1614 -2.1614 -2.0298 -2.0298 -1.3948 -1.3948 -1.1089 -1.1089 -0.6877 -0.6877 -0.1858 -0.1858 1.0687 1.0687 1.2833 1.2833 2.4545 2.4545 3.6418 3.6418 3.7766 3.7766 11.0629 11.0629 12.9047 12.9047 14.2053 14.2053 15.1784 15.1784 k = 0.2389 0.4138-0.0000 ( 1833 PWs) bands (ev): -13.8976 -13.8976 -13.6356 -13.6356 -2.1677 -2.1677 -2.0328 -2.0328 -1.4012 -1.4012 -1.1042 -1.1042 -0.6872 -0.6872 -0.2142 -0.2142 1.0700 1.0700 1.3214 1.3214 2.4507 2.4507 3.6712 3.6712 3.8078 3.8078 10.9563 10.9563 12.9339 12.9339 14.2171 14.2171 15.1975 15.1975 k = 0.2333 0.4041-0.0000 ( 1831 PWs) bands (ev): -13.9096 -13.9096 -13.6289 -13.6289 -2.1763 -2.1763 -2.0350 -2.0350 -1.4075 -1.4075 -1.0987 -1.0987 -0.6879 -0.6879 -0.2392 -0.2392 1.0669 1.0669 1.3611 1.3611 2.4528 2.4528 3.7010 3.7010 3.8378 3.8378 10.8470 10.8470 12.9672 12.9672 14.2172 14.2172 15.2173 15.2173 k = 0.2278 0.3945-0.0000 ( 1827 PWs) bands (ev): -13.9219 -13.9219 -13.6224 -13.6224 -2.1873 -2.1873 -2.0361 -2.0361 -1.4137 -1.4137 -1.0926 -1.0926 -0.6902 -0.6902 -0.2606 -0.2606 1.0593 1.0593 1.4024 1.4024 2.4606 2.4606 3.7311 3.7311 3.8667 3.8667 10.7356 10.7356 13.0043 13.0043 14.2046 14.2046 15.2378 15.2378 k = 0.2222 0.3849-0.0000 ( 1831 PWs) bands (ev): -13.9344 -13.9344 -13.6158 -13.6158 -2.2012 -2.2012 -2.0359 -2.0359 -1.4198 -1.4198 -1.0860 -1.0860 -0.6942 -0.6942 -0.2783 -0.2783 1.0475 1.0475 1.4451 1.4451 2.4736 2.4736 3.7615 3.7615 3.8944 3.8944 10.6223 10.6223 13.0451 13.0451 14.1788 14.1788 15.2592 15.2592 k = 0.2167 0.3753-0.0000 ( 1827 PWs) bands (ev): -13.9471 -13.9471 -13.6093 -13.6093 -2.2177 -2.2177 -2.0344 -2.0344 -1.4258 -1.4258 -1.0789 -1.0789 -0.6998 -0.6998 -0.2922 -0.2922 1.0321 1.0321 1.4894 1.4894 2.4915 2.4915 3.7921 3.7921 3.9209 3.9209 10.5075 10.5075 13.0891 13.0891 14.1402 14.1402 15.2814 15.2814 k = 0.2111 0.3657-0.0000 ( 1827 PWs) bands (ev): -13.9600 -13.9600 -13.6029 -13.6029 -2.2369 -2.2369 -2.0317 -2.0317 -1.4316 -1.4316 -1.0713 -1.0713 -0.7070 -0.7070 -0.3025 -0.3025 1.0134 1.0134 1.5351 1.5351 2.5138 2.5138 3.8229 3.8229 3.9463 3.9463 10.3914 10.3914 13.1363 13.1363 14.0897 14.0897 15.3046 15.3046 k = 0.2056 0.3560-0.0000 ( 1827 PWs) bands (ev): -13.9730 -13.9730 -13.5965 -13.5965 -2.2585 -2.2585 -2.0280 -2.0280 -1.4372 -1.4372 -1.0634 -1.0634 -0.7155 -0.7155 -0.3093 -0.3093 0.9919 0.9919 1.5823 1.5823 2.5400 2.5400 3.8539 3.8539 3.9704 3.9704 10.2741 10.2741 13.1865 13.1865 14.0284 14.0284 15.3289 15.3289 k = 0.2000 0.3464-0.0000 ( 1825 PWs) bands (ev): -13.9861 -13.9861 -13.5902 -13.5902 -2.2822 -2.2822 -2.0234 -2.0234 -1.4427 -1.4427 -1.0550 -1.0550 -0.7251 -0.7251 -0.3129 -0.3129 0.9680 0.9680 1.6308 1.6308 2.5696 2.5696 3.8849 3.8849 3.9934 3.9934 10.1559 10.1559 13.2393 13.2393 13.9579 13.9579 15.3544 15.3544 k = 0.1944 0.3368-0.0000 ( 1827 PWs) bands (ev): -13.9994 -13.9994 -13.5839 -13.5839 -2.3078 -2.3078 -2.0180 -2.0180 -1.4481 -1.4481 -1.0465 -1.0465 -0.7352 -0.7352 -0.3139 -0.3139 0.9422 0.9422 1.6807 1.6807 2.6022 2.6022 3.9159 3.9159 4.0153 4.0153 10.0370 10.0370 13.2946 13.2946 13.8798 13.8798 15.3810 15.3810 k = 0.1889 0.3272-0.0000 ( 1827 PWs) bands (ev): -14.0128 -14.0128 -13.5777 -13.5777 -2.3351 -2.3351 -2.0120 -2.0120 -1.4534 -1.4534 -1.0377 -1.0377 -0.7456 -0.7456 -0.3125 -0.3125 0.9148 0.9148 1.7319 1.7319 2.6373 2.6373 3.9468 3.9468 4.0362 4.0362 9.9175 9.9175 13.3519 13.3519 13.7958 13.7958 15.4091 15.4091 k = 0.1833 0.3175-0.0000 ( 1819 PWs) bands (ev): -14.0261 -14.0261 -13.5716 -13.5716 -2.3637 -2.3637 -2.0054 -2.0054 -1.4587 -1.4587 -1.0288 -1.0288 -0.7557 -0.7557 -0.3091 -0.3091 0.8863 0.8863 1.7845 1.7845 2.6747 2.6747 3.9776 3.9776 4.0560 4.0560 9.7976 9.7976 13.4101 13.4101 13.7079 13.7079 15.4388 15.4388 k = 0.1778 0.3079-0.0000 ( 1819 PWs) bands (ev): -14.0395 -14.0395 -13.5656 -13.5656 -2.3936 -2.3936 -1.9984 -1.9984 -1.4641 -1.4641 -1.0200 -1.0200 -0.7654 -0.7654 -0.3041 -0.3041 0.8568 0.8568 1.8384 1.8384 2.7138 2.7138 4.0081 4.0081 4.0749 4.0749 9.6774 9.6774 13.4652 13.4652 13.6212 13.6212 15.4701 15.4701 k = 0.1722 0.2983-0.0000 ( 1819 PWs) bands (ev): -14.0529 -14.0529 -13.5597 -13.5597 -2.4244 -2.4244 -1.9910 -1.9910 -1.4696 -1.4696 -1.0112 -1.0112 -0.7743 -0.7743 -0.2979 -0.2979 0.8266 0.8266 1.8936 1.8936 2.7544 2.7544 4.0383 4.0383 4.0930 4.0930 9.5569 9.5569 13.4773 13.4773 13.5760 13.5760 15.5033 15.5033 k = 0.1667 0.2887-0.0000 ( 1821 PWs) bands (ev): -14.0662 -14.0662 -13.5540 -13.5540 -2.4560 -2.4560 -1.9834 -1.9834 -1.4752 -1.4752 -1.0027 -1.0027 -0.7821 -0.7821 -0.2906 -0.2906 0.7960 0.7960 1.9500 1.9500 2.7961 2.7961 4.0680 4.0680 4.1103 4.1103 9.4364 9.4364 13.3989 13.3989 13.6206 13.6206 15.5387 15.5387 k = 0.1611 0.2791-0.0000 ( 1821 PWs) bands (ev): -14.0795 -14.0795 -13.5483 -13.5483 -2.4882 -2.4882 -1.9756 -1.9756 -1.4809 -1.4809 -0.9944 -0.9944 -0.7886 -0.7886 -0.2827 -0.2827 0.7652 0.7652 2.0077 2.0077 2.8388 2.8388 4.0970 4.0970 4.1272 4.1272 9.3159 9.3159 13.3019 13.3019 13.6833 13.6833 15.5766 15.5766 k = 0.1556 0.2694-0.0000 ( 1821 PWs) bands (ev): -14.0926 -14.0926 -13.5428 -13.5428 -2.5207 -2.5207 -1.9676 -1.9676 -1.4868 -1.4868 -0.9865 -0.9865 -0.7938 -0.7938 -0.2741 -0.2741 0.7342 0.7342 2.0666 2.0666 2.8821 2.8821 4.1247 4.1247 4.1442 4.1442 9.1956 9.1956 13.2012 13.2012 13.7495 13.7495 15.6172 15.6172 k = 0.1500 0.2598-0.0000 ( 1817 PWs) bands (ev): -14.1056 -14.1056 -13.5374 -13.5374 -2.5533 -2.5533 -1.9595 -1.9595 -1.4928 -1.4928 -0.9791 -0.9791 -0.7975 -0.7975 -0.2651 -0.2651 0.7034 0.7034 2.1268 2.1268 2.9258 2.9258 4.1489 4.1489 4.1634 4.1634 9.0756 9.0756 13.0993 13.0993 13.8169 13.8169 15.6609 15.6609 k = 0.1444 0.2502-0.0000 ( 1817 PWs) bands (ev): -14.1185 -14.1185 -13.5321 -13.5321 -2.5861 -2.5861 -1.9514 -1.9514 -1.4989 -1.4989 -0.9722 -0.9722 -0.7998 -0.7998 -0.2557 -0.2557 0.6728 0.6728 2.1882 2.1882 2.9696 2.9696 4.1673 4.1673 4.1873 4.1873 8.9561 8.9561 12.9970 12.9970 13.8846 13.8846 15.7080 15.7080 k = 0.1389 0.2406-0.0000 ( 1817 PWs) bands (ev): -14.1312 -14.1312 -13.5270 -13.5270 -2.6187 -2.6187 -1.9434 -1.9434 -1.5050 -1.5050 -0.9658 -0.9658 -0.8006 -0.8006 -0.2462 -0.2462 0.6425 0.6425 2.2507 2.2507 3.0133 3.0133 4.1827 4.1827 4.2131 4.2131 8.8371 8.8371 12.8949 12.8949 13.9520 13.9520 15.7589 15.7589 k = 0.1333 0.2309-0.0000 ( 1817 PWs) bands (ev): -14.1436 -14.1436 -13.5220 -13.5220 -2.6510 -2.6510 -1.9356 -1.9356 -1.5111 -1.5111 -0.9599 -0.9599 -0.8000 -0.8000 -0.2366 -0.2366 0.6126 0.6126 2.3143 2.3143 3.0568 3.0568 4.1971 4.1971 4.2388 4.2388 8.7188 8.7188 12.7935 12.7935 14.0187 14.0187 15.8139 15.8139 k = 0.1278 0.2213-0.0000 ( 1817 PWs) bands (ev): -14.1558 -14.1558 -13.5172 -13.5172 -2.6829 -2.6829 -1.9279 -1.9279 -1.5172 -1.5172 -0.9545 -0.9545 -0.7981 -0.7981 -0.2271 -0.2271 0.5832 0.5832 2.3789 2.3789 3.0997 3.0997 4.2110 4.2110 4.2638 4.2638 8.6014 8.6014 12.6931 12.6931 14.0839 14.0839 15.8735 15.8735 k = 0.1222 0.2117-0.0000 ( 1821 PWs) bands (ev): -14.1677 -14.1677 -13.5125 -13.5125 -2.7143 -2.7143 -1.9206 -1.9206 -1.5231 -1.5231 -0.9496 -0.9496 -0.7952 -0.7952 -0.2176 -0.2176 0.5543 0.5543 2.4444 2.4444 3.1419 3.1419 4.2246 4.2246 4.2880 4.2880 8.4851 8.4851 12.5941 12.5941 14.1474 14.1474 15.9379 15.9379 k = 0.1167 0.2021-0.0000 ( 1821 PWs) bands (ev): -14.1793 -14.1793 -13.5080 -13.5080 -2.7450 -2.7450 -1.9136 -1.9136 -1.5288 -1.5288 -0.9450 -0.9450 -0.7914 -0.7914 -0.2082 -0.2082 0.5260 0.5260 2.5109 2.5109 3.1832 3.1832 4.2383 4.2383 4.3112 4.3112 8.3699 8.3699 12.4968 12.4968 14.2085 14.2085 16.0075 16.0075 k = 0.1111 0.1925-0.0000 ( 1817 PWs) bands (ev): -14.1905 -14.1905 -13.5037 -13.5037 -2.7749 -2.7749 -1.9067 -1.9067 -1.5342 -1.5342 -0.9407 -0.9407 -0.7867 -0.7867 -0.1990 -0.1990 0.4985 0.4985 2.5781 2.5781 3.2233 3.2233 4.2519 4.2519 4.3333 4.3333 8.2562 8.2562 12.4016 12.4016 14.2671 14.2671 16.0824 16.0824 k = 0.1056 0.1828-0.0000 ( 1817 PWs) bands (ev): -14.2014 -14.2014 -13.4995 -13.4995 -2.8039 -2.8039 -1.9005 -1.9005 -1.5391 -1.5391 -0.9367 -0.9367 -0.7815 -0.7815 -0.1900 -0.1900 0.4716 0.4716 2.6459 2.6459 3.2621 3.2621 4.2657 4.2657 4.3543 4.3543 8.1442 8.1442 12.3087 12.3087 14.3226 14.3226 16.1628 16.1628 k = 0.1000 0.1732-0.0000 ( 1817 PWs) bands (ev): -14.2119 -14.2119 -13.4956 -13.4956 -2.8320 -2.8320 -1.8947 -1.8947 -1.5436 -1.5436 -0.9329 -0.9329 -0.7759 -0.7759 -0.1813 -0.1813 0.4456 0.4456 2.7142 2.7142 3.2993 3.2993 4.2796 4.2796 4.3741 4.3741 8.0340 8.0340 12.2183 12.2183 14.3748 14.3748 16.2488 16.2488 k = 0.0944 0.1636-0.0000 ( 1821 PWs) bands (ev): -14.2220 -14.2220 -13.4918 -13.4918 -2.8590 -2.8590 -1.8895 -1.8895 -1.5477 -1.5477 -0.9293 -0.9293 -0.7701 -0.7701 -0.1730 -0.1730 0.4205 0.4205 2.7827 2.7827 3.3349 3.3349 4.2937 4.2937 4.3926 4.3926 7.9259 7.9259 12.1308 12.1308 14.4236 14.4236 16.3401 16.3401 k = 0.0889 0.1540-0.0000 ( 1823 PWs) bands (ev): -14.2317 -14.2317 -13.4882 -13.4882 -2.8849 -2.8849 -1.8848 -1.8848 -1.5512 -1.5512 -0.9259 -0.9259 -0.7641 -0.7641 -0.1649 -0.1649 0.3962 0.3962 2.8514 2.8514 3.3685 3.3685 4.3081 4.3081 4.4097 4.4097 7.8203 7.8203 12.0464 12.0464 14.4689 14.4689 16.4367 16.4367 k = 0.0833 0.1443-0.0000 ( 1825 PWs) bands (ev): -14.2408 -14.2408 -13.4848 -13.4848 -2.9095 -2.9095 -1.8808 -1.8808 -1.5540 -1.5540 -0.9225 -0.9225 -0.7580 -0.7580 -0.1573 -0.1573 0.3730 0.3730 2.9198 2.9198 3.4002 3.4002 4.3226 4.3226 4.4255 4.4255 7.7174 7.7174 11.9654 11.9654 14.5106 14.5106 16.5382 16.5382 k = 0.0778 0.1347-0.0000 ( 1817 PWs) bands (ev): -14.2495 -14.2495 -13.4816 -13.4816 -2.9328 -2.9328 -1.8772 -1.8772 -1.5562 -1.5562 -0.9192 -0.9192 -0.7519 -0.7519 -0.1499 -0.1499 0.3508 0.3508 2.9879 2.9879 3.4298 3.4298 4.3373 4.3373 4.4399 4.4399 7.6176 7.6176 11.8881 11.8881 14.5487 14.5487 16.6441 16.6441 k = 0.0722 0.1251-0.0000 ( 1829 PWs) bands (ev): -14.2577 -14.2577 -13.4787 -13.4787 -2.9548 -2.9548 -1.8744 -1.8744 -1.5580 -1.5580 -0.9162 -0.9162 -0.7462 -0.7462 -0.1432 -0.1432 0.3297 0.3297 3.0551 3.0551 3.4572 3.4572 4.3520 4.3520 4.4527 4.4527 7.5212 7.5212 11.8146 11.8146 14.5833 14.5833 16.7538 16.7538 k = 0.0667 0.1155-0.0000 ( 1833 PWs) bands (ev): -14.2654 -14.2654 -13.4759 -13.4759 -2.9754 -2.9754 -1.8721 -1.8721 -1.5591 -1.5591 -0.9132 -0.9132 -0.7405 -0.7405 -0.1368 -0.1368 0.3098 0.3098 3.1211 3.1211 3.4823 3.4823 4.3666 4.3666 4.4641 4.4641 7.4288 7.4288 11.7454 11.7454 14.6146 14.6146 16.8665 16.8665 k = 0.0611 0.1058-0.0000 ( 1829 PWs) bands (ev): -14.2725 -14.2725 -13.4733 -13.4733 -2.9945 -2.9945 -1.8702 -1.8702 -1.5597 -1.5597 -0.9103 -0.9103 -0.7349 -0.7349 -0.1308 -0.1308 0.2912 0.2912 3.1856 3.1856 3.5053 3.5053 4.3810 4.3810 4.4741 4.4741 7.3407 7.3407 11.6805 11.6805 14.6426 14.6426 16.9814 16.9814 k = 0.0556 0.0962-0.0000 ( 1825 PWs) bands (ev): -14.2790 -14.2790 -13.4710 -13.4710 -3.0121 -3.0121 -1.8687 -1.8687 -1.5598 -1.5598 -0.9075 -0.9075 -0.7297 -0.7297 -0.1252 -0.1252 0.2738 0.2738 3.2479 3.2479 3.5261 3.5261 4.3948 4.3948 4.4827 4.4827 7.2575 7.2575 11.6204 11.6204 14.6677 14.6677 17.0972 17.0972 k = 0.0500 0.0866-0.0000 ( 1821 PWs) bands (ev): -14.2850 -14.2850 -13.4688 -13.4688 -3.0282 -3.0282 -1.8677 -1.8677 -1.5596 -1.5596 -0.9050 -0.9050 -0.7249 -0.7249 -0.1201 -0.1201 0.2579 0.2579 3.3076 3.3076 3.5447 3.5447 4.4079 4.4079 4.4899 4.4899 7.1797 7.1797 11.5651 11.5651 14.6899 14.6899 17.2124 17.2124 k = 0.0444 0.0770-0.0000 ( 1821 PWs) bands (ev): -14.2904 -14.2904 -13.4669 -13.4669 -3.0426 -3.0426 -1.8671 -1.8671 -1.5591 -1.5591 -0.9027 -0.9027 -0.7205 -0.7205 -0.1154 -0.1154 0.2434 0.2434 3.3640 3.3640 3.5612 3.5612 4.4200 4.4200 4.4958 4.4958 7.1078 7.1078 11.5150 11.5150 14.7092 14.7092 17.3252 17.3252 k = 0.0389 0.0674-0.0000 ( 1819 PWs) bands (ev): -14.2951 -14.2951 -13.4652 -13.4652 -3.0555 -3.0555 -1.8666 -1.8666 -1.5585 -1.5585 -0.9005 -0.9005 -0.7165 -0.7165 -0.1114 -0.1114 0.2304 0.2304 3.4163 3.4163 3.5758 3.5758 4.4308 4.4308 4.5008 4.5008 7.0424 7.0424 11.4702 11.4702 14.7259 14.7259 17.4329 17.4329 k = 0.0333 0.0577-0.0000 ( 1819 PWs) bands (ev): -14.2993 -14.2993 -13.4637 -13.4637 -3.0667 -3.0667 -1.8664 -1.8664 -1.5577 -1.5577 -0.8987 -0.8987 -0.7130 -0.7130 -0.1078 -0.1078 0.2190 0.2190 3.4636 3.4636 3.5886 3.5886 4.4399 4.4399 4.5049 4.5049 6.9842 6.9842 11.4309 11.4309 14.7402 14.7402 17.5323 17.5323 k = 0.0278 0.0481-0.0000 ( 1819 PWs) bands (ev): -14.3029 -14.3029 -13.4624 -13.4624 -3.0762 -3.0762 -1.8664 -1.8664 -1.5569 -1.5569 -0.8971 -0.8971 -0.7100 -0.7100 -0.1048 -0.1048 0.2093 0.2093 3.5050 3.5050 3.6000 3.6000 4.4473 4.4473 4.5084 4.5084 6.9337 6.9337 11.3974 11.3974 14.7520 14.7520 17.6194 17.6194 k = 0.0222 0.0385-0.0000 ( 1819 PWs) bands (ev): -14.3058 -14.3058 -13.4614 -13.4614 -3.0840 -3.0840 -1.8664 -1.8664 -1.5561 -1.5561 -0.8958 -0.8958 -0.7075 -0.7075 -0.1023 -0.1023 0.2012 0.2012 3.5394 3.5394 3.6102 3.6102 4.4529 4.4529 4.5115 4.5115 6.8915 6.8915 11.3697 11.3697 14.7616 14.7616 17.6900 17.6900 k = 0.0167 0.0289-0.0000 ( 1815 PWs) bands (ev): -14.3080 -14.3080 -13.4606 -13.4606 -3.0901 -3.0901 -1.8664 -1.8664 -1.5554 -1.5554 -0.8947 -0.8947 -0.7055 -0.7055 -0.1003 -0.1003 0.1949 0.1949 3.5654 3.5654 3.6199 3.6199 4.4567 4.4567 4.5141 4.5141 6.8580 6.8580 11.3481 11.3481 14.7690 14.7690 17.7416 17.7416 k = 0.0111 0.0192-0.0000 ( 1819 PWs) bands (ev): -14.3097 -14.3097 -13.4600 -13.4600 -3.0944 -3.0944 -1.8666 -1.8666 -1.5550 -1.5550 -0.8940 -0.8940 -0.7041 -0.7041 -0.0990 -0.0990 0.1903 0.1903 3.5825 3.5825 3.6289 3.6289 4.4590 4.4590 4.5161 4.5161 6.8338 6.8338 11.3325 11.3325 14.7742 14.7742 17.7747 17.7747 k = 0.0056 0.0096-0.0000 ( 1817 PWs) bands (ev): -14.3107 -14.3107 -13.4597 -13.4597 -3.0971 -3.0971 -1.8666 -1.8666 -1.5546 -1.5546 -0.8935 -0.8935 -0.7032 -0.7032 -0.0981 -0.0981 0.1876 0.1876 3.5916 3.5916 3.6357 3.6357 4.4602 4.4602 4.5174 4.5174 6.8191 6.8191 11.3231 11.3231 14.7773 14.7773 17.7925 17.7925 k = 0.0000 0.0000 0.0000 ( 1813 PWs) bands (ev): -14.3110 -14.3110 -13.4596 -13.4596 -3.0979 -3.0979 -1.8666 -1.8666 -1.5545 -1.5545 -0.8933 -0.8933 -0.7029 -0.7029 -0.0977 -0.0977 0.1866 0.1866 3.5944 3.5944 3.6383 3.6383 4.4606 4.4606 4.5178 4.5178 6.8142 6.8142 11.3200 11.3200 14.7783 14.7783 17.7980 17.7980 k = 0.0000 0.0000 0.0000 ( 1813 PWs) bands (ev): -14.3110 -14.3110 -13.4596 -13.4596 -3.0979 -3.0979 -1.8666 -1.8666 -1.5545 -1.5545 -0.8933 -0.8933 -0.7029 -0.7029 -0.0977 -0.0977 0.1866 0.1866 3.5944 3.5944 3.6383 3.6383 4.4606 4.4606 4.5178 4.5178 6.8142 6.8142 11.3200 11.3200 14.7783 14.7783 17.7980 17.7980 k = 0.0000 0.0000 0.0109 ( 1813 PWs) bands (ev): -14.3106 -14.3106 -13.4600 -13.4600 -3.0972 -3.0972 -1.8665 -1.8665 -1.5545 -1.5545 -0.8933 -0.8933 -0.7029 -0.7029 -0.0978 -0.0978 0.1852 0.1852 3.5939 3.5939 3.6379 3.6379 4.4612 4.4612 4.5184 4.5184 6.8170 6.8170 11.3185 11.3185 14.7783 14.7783 17.7979 17.7979 k = 0.0000 0.0000 0.0218 ( 1813 PWs) bands (ev): -14.3094 -14.3094 -13.4615 -13.4615 -3.0949 -3.0949 -1.8665 -1.8665 -1.5544 -1.5544 -0.8932 -0.8932 -0.7030 -0.7030 -0.0983 -0.0983 0.1809 0.1809 3.5925 3.5925 3.6364 3.6364 4.4628 4.4628 4.5199 4.5199 6.8252 6.8252 11.3141 11.3141 14.7782 14.7782 17.7973 17.7973 k = 0.0000 0.0000 0.0328 ( 1813 PWs) bands (ev): -14.3074 -14.3074 -13.4639 -13.4639 -3.0911 -3.0911 -1.8663 -1.8663 -1.5543 -1.5543 -0.8932 -0.8932 -0.7031 -0.7031 -0.0991 -0.0991 0.1737 0.1737 3.5902 3.5902 3.6340 3.6340 4.4655 4.4655 4.5225 4.5225 6.8389 6.8389 11.3065 11.3065 14.7781 14.7781 17.7963 17.7963 k = 0.0000 0.0000 0.0437 ( 1825 PWs) bands (ev): -14.3046 -14.3046 -13.4674 -13.4674 -3.0859 -3.0859 -1.8662 -1.8662 -1.5543 -1.5543 -0.8934 -0.8934 -0.7035 -0.7035 -0.1003 -0.1003 0.1637 0.1637 3.5870 3.5870 3.6307 3.6307 4.4693 4.4693 4.5261 4.5261 6.8580 6.8580 11.2958 11.2958 14.7782 14.7782 17.7950 17.7950 k = 0.0000 0.0000 0.0546 ( 1819 PWs) bands (ev): -14.3010 -14.3010 -13.4716 -13.4716 -3.0792 -3.0792 -1.8660 -1.8660 -1.5541 -1.5541 -0.8933 -0.8933 -0.7036 -0.7036 -0.1017 -0.1017 0.1513 0.1513 3.5830 3.5830 3.6265 3.6265 4.4740 4.4740 4.5306 4.5306 6.8824 6.8824 11.2818 11.2818 14.7793 14.7793 17.7934 17.7934 k = 0.0000 0.0000 0.0655 ( 1831 PWs) bands (ev): -14.2967 -14.2967 -13.4769 -13.4769 -3.0712 -3.0712 -1.8658 -1.8658 -1.5540 -1.5540 -0.8934 -0.8934 -0.7040 -0.7040 -0.1039 -0.1039 0.1364 0.1364 3.5782 3.5782 3.6215 3.6215 4.4796 4.4796 4.5360 4.5360 6.9120 6.9120 11.2644 11.2644 14.7811 14.7811 17.7914 17.7914 k = 0.0000 0.0000 0.0765 ( 1831 PWs) bands (ev): -14.2915 -14.2915 -13.4831 -13.4831 -3.0616 -3.0616 -1.8655 -1.8655 -1.5537 -1.5537 -0.8933 -0.8933 -0.7042 -0.7042 -0.1064 -0.1064 0.1193 0.1193 3.5727 3.5727 3.6158 3.6158 4.4861 4.4861 4.5421 4.5421 6.9467 6.9467 11.2432 11.2432 14.7846 14.7846 17.7892 17.7892 k = 0.0000 0.0000 0.0874 ( 1831 PWs) bands (ev): -14.2856 -14.2856 -13.4902 -13.4902 -3.0508 -3.0508 -1.8651 -1.8651 -1.5534 -1.5534 -0.8933 -0.8933 -0.7045 -0.7045 -0.1096 -0.1096 0.1003 0.1003 3.5666 3.5666 3.6095 3.6095 4.4933 4.4933 4.5491 4.5491 6.9864 6.9864 11.2182 11.2182 14.7901 14.7901 17.7868 17.7868 k = 0.0000 0.0000 0.0983 ( 1831 PWs) bands (ev): -14.2789 -14.2789 -13.4982 -13.4982 -3.0387 -3.0387 -1.8647 -1.8647 -1.5531 -1.5531 -0.8932 -0.8932 -0.7048 -0.7048 -0.1137 -0.1137 0.0798 0.0798 3.5599 3.5599 3.6026 3.6026 4.5011 4.5011 4.5566 4.5566 7.0310 7.0310 11.1892 11.1892 14.7981 14.7981 17.7841 17.7841 k = 0.0000 0.0000 0.1092 ( 1819 PWs) bands (ev): -14.2715 -14.2715 -13.5070 -13.5070 -3.0253 -3.0253 -1.8641 -1.8641 -1.5526 -1.5526 -0.8929 -0.8929 -0.7049 -0.7049 -0.1190 -0.1190 0.0584 0.0584 3.5528 3.5528 3.5953 3.5953 4.5096 4.5096 4.5648 4.5648 7.0802 7.0802 11.1558 11.1558 14.8092 14.8092 17.7813 17.7813 k = 0.0000 0.0000 0.1201 ( 1819 PWs) bands (ev): -14.2633 -14.2633 -13.5166 -13.5166 -3.0107 -3.0107 -1.8637 -1.8637 -1.5522 -1.5522 -0.8928 -0.8928 -0.7053 -0.7053 -0.1260 -0.1260 0.0366 0.0366 3.5452 3.5452 3.5875 3.5875 4.5185 4.5185 4.5734 4.5734 7.1339 7.1339 11.1181 11.1181 14.8238 14.8238 17.7783 17.7783 k = 0.0000 0.0000 0.1311 ( 1807 PWs) bands (ev): -14.2544 -14.2544 -13.5271 -13.5271 -2.9951 -2.9951 -1.8630 -1.8630 -1.5516 -1.5516 -0.8925 -0.8925 -0.7056 -0.7056 -0.1353 -0.1353 0.0154 0.0154 3.5373 3.5373 3.5794 3.5794 4.5279 4.5279 4.5824 4.5824 7.1920 7.1920 11.0758 11.0758 14.8425 14.8425 17.7753 17.7753 k = 0.0000 0.0000 0.1420 ( 1807 PWs) bands (ev): -14.2449 -14.2449 -13.5383 -13.5383 -2.9785 -2.9785 -1.8625 -1.8625 -1.5511 -1.5511 -0.8923 -0.8923 -0.7060 -0.7060 -0.1478 -0.1478 -0.0042 -0.0042 3.5292 3.5292 3.5712 3.5712 4.5374 4.5374 4.5917 4.5917 7.2542 7.2542 11.0288 11.0288 14.8655 14.8655 17.7722 17.7722 k = 0.0000 0.0000 0.1529 ( 1807 PWs) bands (ev): -14.2346 -14.2346 -13.5502 -13.5502 -2.9610 -2.9610 -1.8620 -1.8620 -1.5507 -1.5507 -0.8922 -0.8922 -0.7064 -0.7064 -0.1640 -0.1640 -0.0213 -0.0213 3.5209 3.5209 3.5627 3.5627 4.5471 4.5471 4.6011 4.6011 7.3204 7.3204 10.9771 10.9771 14.8934 14.8934 17.7691 17.7691 k = 0.0000 0.0000 0.1638 ( 1819 PWs) bands (ev): -14.2238 -14.2238 -13.5629 -13.5629 -2.9429 -2.9429 -1.8615 -1.8615 -1.5503 -1.5503 -0.8921 -0.8921 -0.7070 -0.7070 -0.1846 -0.1846 -0.0356 -0.0356 3.5126 3.5126 3.5542 3.5542 4.5569 4.5569 4.6106 4.6106 7.3903 7.3903 10.9207 10.9207 14.9261 14.9261 17.7660 17.7660 k = 0.0000 0.0000 0.1747 ( 1819 PWs) bands (ev): -14.2123 -14.2123 -13.5763 -13.5763 -2.9240 -2.9240 -1.8609 -1.8609 -1.5497 -1.5497 -0.8919 -0.8919 -0.7074 -0.7074 -0.2089 -0.2089 -0.0467 -0.0467 3.5042 3.5042 3.5457 3.5457 4.5667 4.5667 4.6202 4.6202 7.4639 7.4639 10.8597 10.8597 14.9642 14.9642 17.7630 17.7630 k = 0.0000 0.0000 0.1857 ( 1819 PWs) bands (ev): -14.2002 -14.2002 -13.5902 -13.5902 -2.9045 -2.9045 -1.8604 -1.8604 -1.5492 -1.5492 -0.8917 -0.8917 -0.7079 -0.7079 -0.2362 -0.2362 -0.0553 -0.0553 3.4959 3.4959 3.5373 3.5373 4.5765 4.5765 4.6298 4.6298 7.5408 7.5408 10.7941 10.7941 15.0078 15.0078 17.7599 17.7599 k = 0.0000 0.0000 0.1966 ( 1819 PWs) bands (ev): -14.1875 -14.1875 -13.6047 -13.6047 -2.8847 -2.8847 -1.8598 -1.8598 -1.5486 -1.5486 -0.8914 -0.8914 -0.7083 -0.7083 -0.2658 -0.2658 -0.0619 -0.0619 3.4877 3.4877 3.5291 3.5291 4.5861 4.5861 4.6392 4.6392 7.6209 7.6209 10.7241 10.7241 15.0568 15.0568 17.7569 17.7569 k = 0.0000 0.0000 0.2075 ( 1819 PWs) bands (ev): -14.1743 -14.1743 -13.6197 -13.6197 -2.8647 -2.8647 -1.8593 -1.8593 -1.5480 -1.5480 -0.8911 -0.8911 -0.7087 -0.7087 -0.2967 -0.2967 -0.0672 -0.0672 3.4797 3.4797 3.5210 3.5210 4.5955 4.5955 4.6484 4.6484 7.7040 7.7040 10.6500 10.6500 15.1112 15.1112 17.7539 17.7539 k = 0.0000 0.0000 0.2184 ( 1819 PWs) bands (ev): -14.1605 -14.1605 -13.6352 -13.6352 -2.8445 -2.8445 -1.8587 -1.8587 -1.5474 -1.5474 -0.8907 -0.8907 -0.7091 -0.7091 -0.3284 -0.3284 -0.0713 -0.0713 3.4720 3.4720 3.5132 3.5132 4.6046 4.6046 4.6573 4.6573 7.7899 7.7899 10.5718 10.5718 15.1710 15.1710 17.7509 17.7509 k = 0.0000 0.0000 0.2294 ( 1820 PWs) bands (ev): -14.1464 -14.1464 -13.6511 -13.6511 -2.8245 -2.8245 -1.8582 -1.8582 -1.5468 -1.5468 -0.8903 -0.8903 -0.7095 -0.7095 -0.3603 -0.3603 -0.0748 -0.0748 3.4645 3.4645 3.5058 3.5058 4.6134 4.6134 4.6659 4.6659 7.8784 7.8784 10.4899 10.4899 15.2360 15.2360 17.7477 17.7477 k = 0.0000 0.0000 0.2403 ( 1814 PWs) bands (ev): -14.1317 -14.1317 -13.6673 -13.6673 -2.8047 -2.8047 -1.8577 -1.8577 -1.5461 -1.5461 -0.8898 -0.8898 -0.7099 -0.7099 -0.3919 -0.3919 -0.0775 -0.0775 3.4575 3.4575 3.4987 3.4987 4.6217 4.6217 4.6742 4.6742 7.9693 7.9693 10.4046 10.4046 15.3058 15.3058 17.7442 17.7442 k = 0.0000 0.0000 0.2512 ( 1820 PWs) bands (ev): -14.1168 -14.1168 -13.6839 -13.6839 -2.7854 -2.7854 -1.8573 -1.8573 -1.5456 -1.5456 -0.8894 -0.8894 -0.7103 -0.7103 -0.4228 -0.4228 -0.0800 -0.0800 3.4508 3.4508 3.4920 3.4920 4.6296 4.6296 4.6819 4.6819 8.0623 8.0623 10.3161 10.3161 15.3801 15.3801 17.7401 17.7401 k = 0.0000 0.0000 0.2621 ( 1820 PWs) bands (ev): -14.1016 -14.1016 -13.7006 -13.7006 -2.7668 -2.7668 -1.8568 -1.8568 -1.5449 -1.5449 -0.8889 -0.8889 -0.7106 -0.7106 -0.4525 -0.4525 -0.0820 -0.0820 3.4445 3.4445 3.4858 3.4858 4.6370 4.6370 4.6892 4.6892 8.1573 8.1573 10.2248 10.2248 15.4584 15.4584 17.7348 17.7348 k = 0.0000 0.0000 0.2730 ( 1820 PWs) bands (ev): -14.0861 -14.0861 -13.7175 -13.7175 -2.7491 -2.7491 -1.8564 -1.8564 -1.5443 -1.5443 -0.8883 -0.8883 -0.7110 -0.7110 -0.4808 -0.4808 -0.0838 -0.0838 3.4388 3.4388 3.4800 3.4800 4.6438 4.6438 4.6959 4.6959 8.2541 8.2541 10.1310 10.1310 15.5402 15.5402 17.7271 17.7271 k = 0.0000 0.0000 0.2840 ( 1814 PWs) bands (ev): -14.0706 -14.0706 -13.7343 -13.7343 -2.7325 -2.7325 -1.8559 -1.8559 -1.5437 -1.5437 -0.8876 -0.8876 -0.7111 -0.7111 -0.5073 -0.5073 -0.0853 -0.0853 3.4335 3.4335 3.4748 3.4748 4.6500 4.6500 4.7020 4.7020 8.3524 8.3524 10.0351 10.0351 15.6245 15.6245 17.7139 17.7139 k = 0.0000 0.0000 0.2949 ( 1802 PWs) bands (ev): -14.0550 -14.0550 -13.7509 -13.7509 -2.7172 -2.7172 -1.8554 -1.8554 -1.5430 -1.5430 -0.8868 -0.8868 -0.7112 -0.7112 -0.5316 -0.5316 -0.0866 -0.0866 3.4289 3.4289 3.4701 3.4701 4.6557 4.6557 4.7076 4.7076 8.4519 8.4519 9.9374 9.9374 15.7104 15.7104 17.6881 17.6881 k = 0.0000 0.0000 0.3058 ( 1802 PWs) bands (ev): -14.0397 -14.0397 -13.7672 -13.7672 -2.7034 -2.7034 -1.8551 -1.8551 -1.5425 -1.5425 -0.8861 -0.8861 -0.7115 -0.7115 -0.5535 -0.5535 -0.0877 -0.0877 3.4247 3.4247 3.4660 3.4660 4.6605 4.6605 4.7125 4.7125 8.5522 8.5522 9.8383 9.8383 15.7964 15.7964 17.6378 17.6378 k = 0.0000 0.0000 0.3167 ( 1820 PWs) bands (ev): -14.0250 -14.0250 -13.7830 -13.7830 -2.6915 -2.6915 -1.8549 -1.8549 -1.5421 -1.5421 -0.8857 -0.8857 -0.7119 -0.7119 -0.5727 -0.5727 -0.0889 -0.0889 3.4212 3.4212 3.4625 3.4625 4.6646 4.6646 4.7165 4.7165 8.6530 8.6530 9.7385 9.7385 15.8805 15.8805 17.5627 17.5627 k = 0.0000 0.0000 0.3276 ( 1820 PWs) bands (ev): -14.0110 -14.0110 -13.7976 -13.7976 -2.6814 -2.6814 -1.8547 -1.8547 -1.5418 -1.5418 -0.8851 -0.8851 -0.7121 -0.7121 -0.5888 -0.5888 -0.0896 -0.0896 3.4183 3.4183 3.4596 3.4596 4.6681 4.6681 4.7199 4.7199 8.7535 8.7535 9.6387 9.6387 15.9600 15.9600 17.4790 17.4790 k = 0.0000 0.0000 0.3386 ( 1814 PWs) bands (ev): -13.9986 -13.9986 -13.8106 -13.8106 -2.6733 -2.6733 -1.8545 -1.8545 -1.5414 -1.5414 -0.8845 -0.8845 -0.7121 -0.7121 -0.6016 -0.6016 -0.0901 -0.0901 3.4160 3.4160 3.4573 3.4573 4.6708 4.6708 4.7226 4.7226 8.8525 8.8525 9.5402 9.5402 16.0310 16.0310 17.4003 17.4003 k = 0.0000 0.0000 0.3495 ( 1814 PWs) bands (ev): -13.9884 -13.9884 -13.8212 -13.8212 -2.6675 -2.6675 -1.8544 -1.8544 -1.5411 -1.5411 -0.8840 -0.8840 -0.7122 -0.7122 -0.6109 -0.6109 -0.0905 -0.0905 3.4143 3.4143 3.4557 3.4557 4.6727 4.6727 4.7246 4.7246 8.9469 8.9469 9.4461 9.4461 16.0886 16.0886 17.3358 17.3358 k = 0.0000 0.0000 0.3604 ( 1814 PWs) bands (ev): -13.9816 -13.9816 -13.8283 -13.8283 -2.6639 -2.6639 -1.8543 -1.8543 -1.5410 -1.5410 -0.8838 -0.8838 -0.7123 -0.7123 -0.6165 -0.6165 -0.0908 -0.0908 3.4134 3.4134 3.4547 3.4547 4.6739 4.6739 4.7257 4.7257 9.0276 9.0276 9.3656 9.3656 16.1267 16.1267 17.2930 17.2930 k = 0.0000 0.0000 0.3713 ( 1820 PWs) bands (ev): -13.9792 -13.9792 -13.8308 -13.8308 -2.6628 -2.6628 -1.8543 -1.8543 -1.5410 -1.5410 -0.8838 -0.8838 -0.7124 -0.7124 -0.6184 -0.6184 -0.0910 -0.0910 3.4130 3.4130 3.4544 3.4544 4.6743 4.6743 4.7261 4.7261 9.0651 9.0651 9.3280 9.3280 16.1400 16.1400 17.2779 17.2779 k = 0.0000 0.0000 0.3713 ( 1820 PWs) bands (ev): -13.9792 -13.9792 -13.8308 -13.8308 -2.6628 -2.6628 -1.8543 -1.8543 -1.5410 -1.5410 -0.8838 -0.8838 -0.7124 -0.7124 -0.6184 -0.6184 -0.0910 -0.0910 3.4130 3.4130 3.4544 3.4544 4.6743 4.6743 4.7261 4.7261 9.0651 9.0651 9.3280 9.3280 16.1400 16.1400 17.2779 17.2779 k = 0.0096 0.0056 0.3713 ( 1820 PWs) bands (ev): -13.9790 -13.9790 -13.8307 -13.8307 -2.6622 -2.6622 -1.8550 -1.8550 -1.5421 -1.5421 -0.8844 -0.8844 -0.7138 -0.7138 -0.6137 -0.6137 -0.0914 -0.0914 3.4123 3.4123 3.4537 3.4537 4.6725 4.6725 4.7243 4.7243 9.0683 9.0683 9.3301 9.3301 16.1407 16.1407 17.2692 17.2692 k = 0.0192 0.0111 0.3713 ( 1826 PWs) bands (ev): -13.9787 -13.9787 -13.8302 -13.8302 -2.6605 -2.6605 -1.8572 -1.8572 -1.5455 -1.5455 -0.8862 -0.8862 -0.7175 -0.7175 -0.6004 -0.6004 -0.0926 -0.0926 3.4101 3.4101 3.4517 3.4517 4.6667 4.6667 4.7193 4.7193 9.0779 9.0779 9.3361 9.3361 16.1429 16.1429 17.2440 17.2440 k = 0.0288 0.0167 0.3713 ( 1822 PWs) bands (ev): -13.9782 -13.9782 -13.8294 -13.8294 -2.6576 -2.6576 -1.8607 -1.8607 -1.5505 -1.5505 -0.8890 -0.8890 -0.7221 -0.7221 -0.5801 -0.5801 -0.0943 -0.0943 3.4060 3.4060 3.4488 3.4488 4.6563 4.6563 4.7120 4.7120 9.0938 9.0938 9.3462 9.3462 16.1465 16.1465 17.2043 17.2043 k = 0.0385 0.0222 0.3713 ( 1820 PWs) bands (ev): -13.9774 -13.9774 -13.8282 -13.8282 -2.6536 -2.6536 -1.8658 -1.8658 -1.5570 -1.5570 -0.8924 -0.8924 -0.7270 -0.7270 -0.5541 -0.5541 -0.0969 -0.0969 3.3998 3.3998 3.4453 3.4453 4.6402 4.6402 4.7037 4.7037 9.1158 9.1158 9.3602 9.3602 16.1513 16.1513 17.1526 17.1526 k = 0.0481 0.0278 0.3713 ( 1826 PWs) bands (ev): -13.9764 -13.9764 -13.8268 -13.8268 -2.6484 -2.6484 -1.8728 -1.8728 -1.5643 -1.5643 -0.8965 -0.8965 -0.7319 -0.7319 -0.5236 -0.5236 -0.1003 -0.1003 3.3910 3.3910 3.4416 3.4416 4.6178 4.6178 4.6950 4.6950 9.1436 9.1436 9.3781 9.3781 16.1574 16.1574 17.0914 17.0914 k = 0.0577 0.0333 0.3713 ( 1826 PWs) bands (ev): -13.9751 -13.9751 -13.8251 -13.8251 -2.6422 -2.6422 -1.8817 -1.8817 -1.5718 -1.5718 -0.9008 -0.9008 -0.7364 -0.7364 -0.4892 -0.4892 -0.1043 -0.1043 3.3793 3.3793 3.4379 3.4379 4.5894 4.5894 4.6861 4.6861 9.1771 9.1771 9.3998 9.3998 16.1646 16.1646 17.0227 17.0227 k = 0.0673 0.0389 0.3713 ( 1838 PWs) bands (ev): -13.9737 -13.9737 -13.8231 -13.8231 -2.6349 -2.6349 -1.8927 -1.8927 -1.5790 -1.5790 -0.9056 -0.9056 -0.7410 -0.7410 -0.4516 -0.4516 -0.1089 -0.1089 3.3649 3.3649 3.4344 3.4344 4.5555 4.5555 4.6770 4.6770 9.2158 9.2158 9.4252 9.4252 16.1726 16.1726 16.9480 16.9480 k = 0.0769 0.0444 0.3713 ( 1838 PWs) bands (ev): -13.9721 -13.9721 -13.8208 -13.8208 -2.6265 -2.6265 -1.9056 -1.9056 -1.5851 -1.5851 -0.9103 -0.9103 -0.7453 -0.7453 -0.4111 -0.4111 -0.1141 -0.1141 3.3476 3.3476 3.4309 3.4309 4.5167 4.5167 4.6674 4.6674 9.2595 9.2595 9.4541 9.4541 16.1813 16.1813 16.8690 16.8690 k = 0.0865 0.0500 0.3713 ( 1842 PWs) bands (ev): -13.9702 -13.9702 -13.8183 -13.8183 -2.6171 -2.6171 -1.9205 -1.9205 -1.5900 -1.5900 -0.9151 -0.9151 -0.7496 -0.7496 -0.3683 -0.3683 -0.1199 -0.1199 3.3277 3.3277 3.4273 3.4273 4.4734 4.4734 4.6573 4.6573 9.3077 9.3077 9.4864 9.4864 16.1901 16.1901 16.7869 16.7869 k = 0.0962 0.0555 0.3713 ( 1838 PWs) bands (ev): -13.9681 -13.9681 -13.8155 -13.8155 -2.6067 -2.6067 -1.9372 -1.9372 -1.5935 -1.5935 -0.9200 -0.9200 -0.7538 -0.7538 -0.3237 -0.3237 -0.1259 -0.1259 3.3054 3.3054 3.4235 3.4235 4.4264 4.4264 4.6467 4.6467 9.3602 9.3602 9.5221 9.5221 16.1985 16.1985 16.7030 16.7030 k = 0.1058 0.0611 0.3713 ( 1834 PWs) bands (ev): -13.9658 -13.9658 -13.8124 -13.8124 -2.5953 -2.5953 -1.9554 -1.9554 -1.5953 -1.5953 -0.9250 -0.9250 -0.7579 -0.7579 -0.2777 -0.2777 -0.1320 -0.1320 3.2808 3.2808 3.4193 3.4193 4.3760 4.3760 4.6355 4.6355 9.4164 9.4164 9.5608 9.5608 16.2054 16.2054 16.6191 16.6191 k = 0.1154 0.0666 0.3713 ( 1842 PWs) bands (ev): -13.9634 -13.9634 -13.8091 -13.8091 -2.5831 -2.5831 -1.9749 -1.9749 -1.5960 -1.5960 -0.9303 -0.9303 -0.7620 -0.7620 -0.2318 -0.2318 -0.1373 -0.1373 3.2539 3.2539 3.4147 3.4147 4.3226 4.3226 4.6236 4.6236 9.4760 9.4760 9.6025 9.6025 16.2087 16.2087 16.5375 16.5375 k = 0.1250 0.0722 0.3713 ( 1842 PWs) bands (ev): -13.9607 -13.9607 -13.8056 -13.8056 -2.5699 -2.5699 -1.9953 -1.9953 -1.5951 -1.5951 -0.9357 -0.9357 -0.7659 -0.7659 -0.1904 -0.1904 -0.1374 -0.1374 3.2249 3.2249 3.4095 3.4095 4.2668 4.2668 4.6114 4.6114 9.5385 9.5385 9.6471 9.6471 16.2042 16.2042 16.4627 16.4627 k = 0.1346 0.0777 0.3713 ( 1842 PWs) bands (ev): -13.9578 -13.9578 -13.8019 -13.8019 -2.5561 -2.5561 -2.0161 -2.0161 -1.5930 -1.5930 -0.9413 -0.9413 -0.7697 -0.7697 -0.1726 -0.1726 -0.1134 -0.1134 3.1939 3.1939 3.4037 3.4037 4.2090 4.2090 4.5988 4.5988 9.6034 9.6034 9.6944 9.6944 16.1840 16.1840 16.4030 16.4030 k = 0.1442 0.0833 0.3713 ( 1840 PWs) bands (ev): -13.9548 -13.9548 -13.7980 -13.7980 -2.5416 -2.5416 -2.0370 -2.0370 -1.5899 -1.5899 -0.9470 -0.9470 -0.7731 -0.7731 -0.1754 -0.1754 -0.0686 -0.0686 3.1610 3.1610 3.3972 3.3972 4.1496 4.1496 4.5859 4.5859 9.6703 9.6703 9.7445 9.7445 16.1399 16.1399 16.3663 16.3663 k = 0.1538 0.0888 0.3713 ( 1836 PWs) bands (ev): -13.9516 -13.9516 -13.7939 -13.7939 -2.5267 -2.5267 -2.0575 -2.0575 -1.5858 -1.5858 -0.9529 -0.9529 -0.7763 -0.7763 -0.1828 -0.1828 -0.0190 -0.0190 3.1263 3.1263 3.3900 3.3900 4.0890 4.0890 4.5729 4.5729 9.7383 9.7383 9.7976 9.7976 16.0746 16.0746 16.3497 16.3497 k = 0.1635 0.0944 0.3713 ( 1840 PWs) bands (ev): -13.9483 -13.9483 -13.7897 -13.7897 -2.5116 -2.5116 -2.0774 -2.0774 -1.5811 -1.5811 -0.9593 -0.9593 -0.7791 -0.7791 -0.1917 -0.1917 0.0319 0.0319 3.0898 3.0898 3.3819 3.3819 4.0274 4.0274 4.5597 4.5597 9.8061 9.8061 9.8544 9.8544 15.9978 15.9978 16.3433 16.3433 k = 0.1731 0.0999 0.3713 ( 1834 PWs) bands (ev): -13.9447 -13.9447 -13.7854 -13.7854 -2.4964 -2.4964 -2.0960 -2.0960 -1.5758 -1.5758 -0.9657 -0.9657 -0.7814 -0.7814 -0.2013 -0.2013 0.0832 0.0832 3.0517 3.0517 3.3729 3.3729 3.9655 3.9655 4.5465 4.5465 9.8719 9.8719 9.9164 9.9164 15.9162 15.9162 16.3396 16.3396 k = 0.1827 0.1055 0.3713 ( 1832 PWs) bands (ev): -13.9411 -13.9411 -13.7809 -13.7809 -2.4816 -2.4816 -2.1130 -2.1130 -1.5701 -1.5701 -0.9725 -0.9725 -0.7831 -0.7831 -0.2114 -0.2114 0.1346 0.1346 3.0120 3.0120 3.3630 3.3630 3.9033 3.9033 4.5335 4.5335 9.9345 9.9345 9.9840 9.9840 15.8331 15.8331 16.3345 16.3345 k = 0.1923 0.1110 0.3713 ( 1832 PWs) bands (ev): -13.9374 -13.9374 -13.7763 -13.7763 -2.4676 -2.4676 -2.1278 -2.1278 -1.5641 -1.5641 -0.9795 -0.9795 -0.7842 -0.7842 -0.2219 -0.2219 0.1857 0.1857 2.9710 2.9710 3.3521 3.3521 3.8414 3.8414 4.5207 4.5207 9.9947 9.9947 10.0561 10.0561 15.7501 15.7501 16.3250 16.3250 k = 0.2019 0.1166 0.3713 ( 1836 PWs) bands (ev): -13.9335 -13.9335 -13.7717 -13.7717 -2.4551 -2.4551 -2.1396 -2.1396 -1.5580 -1.5580 -0.9868 -0.9868 -0.7846 -0.7846 -0.2328 -0.2328 0.2363 0.2363 2.9286 2.9286 3.3401 3.3401 3.7798 3.7798 4.5082 4.5082 10.0537 10.0537 10.1309 10.1309 15.6682 15.6682 16.3083 16.3083 k = 0.2115 0.1221 0.3713 ( 1836 PWs) bands (ev): -13.9295 -13.9295 -13.7670 -13.7670 -2.4447 -2.4447 -2.1479 -2.1479 -1.5519 -1.5519 -0.9943 -0.9943 -0.7842 -0.7842 -0.2439 -0.2439 0.2862 0.2862 2.8852 2.8852 3.3272 3.3272 3.7189 3.7189 4.4960 4.4960 10.1124 10.1124 10.2072 10.2072 15.5879 15.5879 16.2816 16.2816 k = 0.2212 0.1277 0.3713 ( 1836 PWs) bands (ev): -13.9254 -13.9254 -13.7622 -13.7622 -2.4370 -2.4370 -2.1517 -2.1517 -1.5457 -1.5457 -1.0020 -1.0020 -0.7830 -0.7830 -0.2553 -0.2553 0.3352 0.3352 2.8409 2.8409 3.3131 3.3131 3.6591 3.6591 4.4843 4.4843 10.1707 10.1707 10.2846 10.2846 15.5097 15.5097 16.2424 16.2424 k = 0.2308 0.1332 0.3713 ( 1840 PWs) bands (ev): -13.9213 -13.9213 -13.7575 -13.7575 -2.4326 -2.4326 -2.1507 -2.1507 -1.5398 -1.5398 -1.0099 -1.0099 -0.7810 -0.7810 -0.2670 -0.2670 0.3830 0.3830 2.7958 2.7958 3.2980 3.2980 3.6003 3.6003 4.4732 4.4732 10.2287 10.2287 10.3625 10.3625 15.4338 15.4338 16.1887 16.1887 k = 0.2404 0.1388 0.3713 ( 1838 PWs) bands (ev): -13.9171 -13.9171 -13.7527 -13.7527 -2.4316 -2.4316 -2.1445 -2.1445 -1.5340 -1.5340 -1.0178 -1.0178 -0.7780 -0.7780 -0.2788 -0.2788 0.4295 0.4295 2.7504 2.7504 3.2819 3.2819 3.5429 3.5429 4.4626 4.4626 10.2862 10.2862 10.4407 10.4407 15.3605 15.3605 16.1204 16.1204 k = 0.2500 0.1443 0.3713 ( 1838 PWs) bands (ev): -13.9128 -13.9128 -13.7479 -13.7479 -2.4339 -2.4339 -2.1333 -2.1333 -1.5285 -1.5285 -1.0259 -1.0259 -0.7742 -0.7742 -0.2909 -0.2909 0.4745 0.4745 2.7048 2.7048 3.2647 3.2647 3.4870 3.4870 4.4527 4.4527 10.3431 10.3431 10.5189 10.5189 15.2900 15.2900 16.0394 16.0394 k = 0.2596 0.1499 0.3713 ( 1830 PWs) bands (ev): -13.9085 -13.9085 -13.7432 -13.7432 -2.4390 -2.4390 -2.1177 -2.1177 -1.5233 -1.5233 -1.0339 -1.0339 -0.7694 -0.7694 -0.3032 -0.3032 0.5177 0.5177 2.6593 2.6593 3.2465 3.2465 3.4327 3.4327 4.4434 4.4434 10.3991 10.3991 10.5971 10.5971 15.2223 15.2223 15.9487 15.9487 k = 0.2692 0.1554 0.3713 ( 1830 PWs) bands (ev): -13.9042 -13.9042 -13.7385 -13.7385 -2.4463 -2.4463 -2.0984 -2.0984 -1.5184 -1.5184 -1.0420 -1.0420 -0.7638 -0.7638 -0.3158 -0.3158 0.5589 0.5589 2.6144 2.6144 3.2272 3.2272 3.3802 3.3802 4.4348 4.4348 10.4541 10.4541 10.6751 10.6751 15.1577 15.1577 15.8513 15.8513 k = 0.2788 0.1610 0.3713 ( 1824 PWs) bands (ev): -13.9000 -13.9000 -13.7339 -13.7339 -2.4551 -2.4551 -2.0759 -2.0759 -1.5139 -1.5139 -1.0501 -1.0501 -0.7574 -0.7574 -0.3286 -0.3286 0.5979 0.5979 2.5704 2.5704 3.2068 3.2068 3.3296 3.3296 4.4270 4.4270 10.5078 10.5078 10.7526 10.7526 15.0961 15.0961 15.7501 15.7501 k = 0.2885 0.1665 0.3713 ( 1824 PWs) bands (ev): -13.8957 -13.8957 -13.7293 -13.7293 -2.4650 -2.4650 -2.0509 -2.0509 -1.5098 -1.5098 -1.0581 -1.0581 -0.7502 -0.7502 -0.3417 -0.3417 0.6344 0.6344 2.5277 2.5277 3.1852 3.1852 3.2813 3.2813 4.4197 4.4197 10.5601 10.5601 10.8296 10.8296 15.0376 15.0376 15.6470 15.6470 k = 0.2981 0.1721 0.3713 ( 1824 PWs) bands (ev): -13.8914 -13.8914 -13.7249 -13.7249 -2.4754 -2.4754 -2.0239 -2.0239 -1.5060 -1.5060 -1.0660 -1.0660 -0.7425 -0.7425 -0.3550 -0.3550 0.6681 0.6681 2.4866 2.4866 3.1620 3.1620 3.2357 3.2357 4.4132 4.4132 10.6107 10.6107 10.9058 10.9058 14.9822 14.9822 15.5436 15.5436 k = 0.3077 0.1776 0.3713 ( 1828 PWs) bands (ev): -13.8873 -13.8873 -13.7206 -13.7206 -2.4861 -2.4861 -1.9953 -1.9953 -1.5027 -1.5027 -1.0739 -1.0739 -0.7342 -0.7342 -0.3687 -0.3687 0.6990 0.6990 2.4477 2.4477 3.1363 3.1363 3.1938 3.1938 4.4072 4.4072 10.6596 10.6596 10.9812 10.9812 14.9300 14.9300 15.4409 15.4409 k = 0.3173 0.1832 0.3713 ( 1824 PWs) bands (ev): -13.8831 -13.8831 -13.7164 -13.7164 -2.4968 -2.4968 -1.9653 -1.9653 -1.4995 -1.4995 -1.0814 -1.0814 -0.7253 -0.7253 -0.3826 -0.3826 0.7268 0.7268 2.4113 2.4113 3.1066 3.1066 3.1572 3.1572 4.4019 4.4019 10.7065 10.7065 11.0557 11.0557 14.8808 14.8808 15.3397 15.3397 k = 0.3269 0.1887 0.3713 ( 1824 PWs) bands (ev): -13.8791 -13.8791 -13.7123 -13.7123 -2.5073 -2.5073 -1.9344 -1.9344 -1.4966 -1.4966 -1.0890 -1.0890 -0.7162 -0.7162 -0.3968 -0.3968 0.7514 0.7514 2.3778 2.3778 3.0726 3.0726 3.1263 3.1263 4.3973 4.3973 10.7514 10.7514 11.1289 11.1289 14.8346 14.8346 15.2408 15.2408 k = 0.3365 0.1943 0.3713 ( 1828 PWs) bands (ev): -13.8752 -13.8752 -13.7084 -13.7084 -2.5176 -2.5176 -1.9027 -1.9027 -1.4939 -1.4939 -1.0963 -1.0963 -0.7068 -0.7068 -0.4112 -0.4112 0.7725 0.7725 2.3475 2.3475 3.0358 3.0358 3.0998 3.0998 4.3931 4.3931 10.7940 10.7940 11.2009 11.2009 14.7912 14.7912 15.1446 15.1446 k = 0.3462 0.1999 0.3713 ( 1824 PWs) bands (ev): -13.8713 -13.8713 -13.7046 -13.7046 -2.5275 -2.5275 -1.8705 -1.8705 -1.4911 -1.4911 -1.1034 -1.1034 -0.6974 -0.6974 -0.4258 -0.4258 0.7902 0.7902 2.3206 2.3206 2.9984 2.9984 3.0758 3.0758 4.3895 4.3895 10.8344 10.8344 11.2713 11.2713 14.7505 14.7505 15.0517 15.0517 k = 0.3558 0.2054 0.3713 ( 1824 PWs) bands (ev): -13.8677 -13.8677 -13.7011 -13.7011 -2.5370 -2.5370 -1.8380 -1.8380 -1.4884 -1.4884 -1.1104 -1.1104 -0.6882 -0.6882 -0.4405 -0.4405 0.8045 0.8045 2.2975 2.2975 2.9613 2.9613 3.0531 3.0531 4.3863 4.3863 10.8725 10.8725 11.3401 11.3401 14.7120 14.7120 14.9627 14.9627 k = 0.3654 0.2110 0.3713 ( 1820 PWs) bands (ev): -13.8641 -13.8641 -13.6977 -13.6977 -2.5459 -2.5459 -1.8056 -1.8056 -1.4853 -1.4853 -1.1171 -1.1171 -0.6793 -0.6793 -0.4551 -0.4551 0.8155 0.8155 2.2782 2.2782 2.9252 2.9252 3.0316 3.0316 4.3836 4.3836 10.9081 10.9081 11.4069 11.4069 14.6752 14.6752 14.8786 14.8786 k = 0.3750 0.2165 0.3713 ( 1826 PWs) bands (ev): -13.8608 -13.8608 -13.6945 -13.6945 -2.5546 -2.5546 -1.7737 -1.7737 -1.4819 -1.4819 -1.1239 -1.1239 -0.6712 -0.6712 -0.4696 -0.4696 0.8233 0.8233 2.2626 2.2626 2.8902 2.8902 3.0109 3.0109 4.3813 4.3813 10.9413 10.9413 11.4716 11.4716 14.6388 14.6388 14.8005 14.8005 k = 0.3846 0.2221 0.3713 ( 1822 PWs) bands (ev): -13.8575 -13.8575 -13.6915 -13.6915 -2.5624 -2.5624 -1.7425 -1.7425 -1.4778 -1.4778 -1.1305 -1.1305 -0.6640 -0.6640 -0.4835 -0.4835 0.8283 0.8283 2.2508 2.2508 2.8567 2.8567 2.9913 2.9913 4.3793 4.3793 10.9720 10.9720 11.5338 11.5338 14.6007 14.6007 14.7311 14.7311 k = 0.3942 0.2276 0.3713 ( 1818 PWs) bands (ev): -13.8545 -13.8545 -13.6887 -13.6887 -2.5697 -2.5697 -1.7126 -1.7126 -1.4726 -1.4726 -1.1372 -1.1372 -0.6580 -0.6580 -0.4967 -0.4967 0.8307 0.8307 2.2425 2.2425 2.8247 2.8247 2.9726 2.9726 4.3776 4.3776 11.0002 11.0002 11.5933 11.5933 14.5574 14.5574 14.6738 14.6738 k = 0.4038 0.2332 0.3713 ( 1822 PWs) bands (ev): -13.8518 -13.8518 -13.6862 -13.6862 -2.5766 -2.5766 -1.6846 -1.6846 -1.4660 -1.4660 -1.1440 -1.1440 -0.6540 -0.6540 -0.5086 -0.5086 0.8308 0.8308 2.2373 2.2373 2.7943 2.7943 2.9552 2.9552 4.3762 4.3762 11.0258 11.0258 11.6498 11.6498 14.5071 14.5071 14.6306 14.6306 k = 0.4135 0.2387 0.3713 ( 1822 PWs) bands (ev): -13.8492 -13.8492 -13.6838 -13.6838 -2.5827 -2.5827 -1.6591 -1.6591 -1.4575 -1.4575 -1.1509 -1.1509 -0.6522 -0.6522 -0.5186 -0.5186 0.8293 0.8293 2.2351 2.2351 2.7655 2.7655 2.9389 2.9389 4.3751 4.3751 11.0490 11.0490 11.7029 11.7029 14.4527 14.4527 14.5991 14.5991 k = 0.4231 0.2443 0.3713 ( 1822 PWs) bands (ev): -13.8469 -13.8469 -13.6817 -13.6817 -2.5882 -2.5882 -1.6368 -1.6368 -1.4467 -1.4467 -1.1581 -1.1581 -0.6529 -0.6529 -0.5264 -0.5264 0.8265 0.8265 2.2353 2.2353 2.7387 2.7387 2.9240 2.9240 4.3741 4.3741 11.0696 11.0696 11.7521 11.7521 14.3984 14.3984 14.5752 14.5752 k = 0.4327 0.2498 0.3713 ( 1822 PWs) bands (ev): -13.8448 -13.8448 -13.6798 -13.6798 -2.5930 -2.5930 -1.6182 -1.6182 -1.4335 -1.4335 -1.1657 -1.1657 -0.6561 -0.6561 -0.5316 -0.5316 0.8227 0.8227 2.2375 2.2375 2.7138 2.7138 2.9106 2.9106 4.3734 4.3734 11.0877 11.0877 11.7972 11.7972 14.3471 14.3471 14.5562 14.5562 k = 0.4423 0.2554 0.3713 ( 1822 PWs) bands (ev): -13.8430 -13.8430 -13.6782 -13.6782 -2.5973 -2.5973 -1.6034 -1.6034 -1.4180 -1.4180 -1.1736 -1.1736 -0.6613 -0.6613 -0.5347 -0.5347 0.8186 0.8186 2.2411 2.2411 2.6913 2.6913 2.8987 2.8987 4.3728 4.3728 11.1034 11.1034 11.8375 11.8375 14.3004 14.3004 14.5410 14.5410 k = 0.4519 0.2609 0.3713 ( 1826 PWs) bands (ev): -13.8414 -13.8414 -13.6769 -13.6769 -2.6009 -2.6009 -1.5921 -1.5921 -1.4010 -1.4010 -1.1818 -1.1818 -0.6680 -0.6680 -0.5361 -0.5361 0.8143 0.8143 2.2456 2.2456 2.6713 2.6713 2.8885 2.8885 4.3723 4.3723 11.1166 11.1166 11.8727 11.8727 14.2595 14.2595 14.5287 14.5287 k = 0.4615 0.2665 0.3713 ( 1826 PWs) bands (ev): -13.8401 -13.8401 -13.6757 -13.6757 -2.6038 -2.6038 -1.5838 -1.5838 -1.3836 -1.3836 -1.1903 -1.1903 -0.6749 -0.6749 -0.5363 -0.5363 0.8104 0.8104 2.2504 2.2504 2.6542 2.6542 2.8801 2.8801 4.3719 4.3719 11.1274 11.1274 11.9022 11.9022 14.2250 14.2250 14.5190 14.5190 k = 0.4712 0.2720 0.3713 ( 1820 PWs) bands (ev): -13.8391 -13.8391 -13.6748 -13.6748 -2.6061 -2.6061 -1.5780 -1.5780 -1.3670 -1.3670 -1.1985 -1.1985 -0.6811 -0.6811 -0.5359 -0.5359 0.8072 0.8072 2.2549 2.2549 2.6403 2.6403 2.8734 2.8734 4.3717 4.3717 11.1358 11.1358 11.9258 11.9258 14.1976 14.1976 14.5117 14.5117 k = 0.4808 0.2776 0.3713 ( 1820 PWs) bands (ev): -13.8384 -13.8384 -13.6742 -13.6742 -2.6077 -2.6077 -1.5742 -1.5742 -1.3530 -1.3530 -1.2060 -1.2060 -0.6862 -0.6862 -0.5354 -0.5354 0.8046 0.8046 2.2586 2.2586 2.6301 2.6301 2.8686 2.8686 4.3715 4.3715 11.1417 11.1417 11.9429 11.9429 14.1777 14.1777 14.5066 14.5066 k = 0.4904 0.2831 0.3713 ( 1816 PWs) bands (ev): -13.8379 -13.8379 -13.6738 -13.6738 -2.6087 -2.6087 -1.5720 -1.5720 -1.3434 -1.3434 -1.2113 -1.2113 -0.6895 -0.6895 -0.5350 -0.5350 0.8031 0.8031 2.2611 2.2611 2.6238 2.6238 2.8657 2.8657 4.3714 4.3714 11.1453 11.1453 11.9533 11.9533 14.1656 14.1656 14.5035 14.5035 k = 0.5000 0.2887 0.3713 ( 1816 PWs) bands (ev): -13.8378 -13.8378 -13.6737 -13.6737 -2.6090 -2.6090 -1.5713 -1.5713 -1.3399 -1.3399 -1.2133 -1.2133 -0.6906 -0.6906 -0.5348 -0.5348 0.8025 0.8025 2.2619 2.2619 2.6216 2.6216 2.8647 2.8647 4.3714 4.3714 11.1465 11.1465 11.9568 11.9568 14.1616 14.1616 14.5025 14.5025 k = 0.5000 0.2887 0.3713 ( 1816 PWs) bands (ev): -13.8378 -13.8378 -13.6737 -13.6737 -2.6090 -2.6090 -1.5713 -1.5713 -1.3399 -1.3399 -1.2133 -1.2133 -0.6906 -0.6906 -0.5348 -0.5348 0.8025 0.8025 2.2619 2.2619 2.6216 2.6216 2.8647 2.8647 4.3714 4.3714 11.1465 11.1465 11.9568 11.9568 14.1616 14.1616 14.5025 14.5025 k = 0.4944 0.2983 0.3713 ( 1816 PWs) bands (ev): -13.8376 -13.8376 -13.6738 -13.6738 -2.6082 -2.6082 -1.5718 -1.5718 -1.3418 -1.3418 -1.2122 -1.2122 -0.6901 -0.6901 -0.5338 -0.5338 0.8022 0.8022 2.2622 2.2622 2.6090 2.6090 2.8763 2.8763 4.3701 4.3701 11.1488 11.1488 11.9591 11.9591 14.1609 14.1609 14.5034 14.5034 k = 0.4889 0.3079 0.3713 ( 1820 PWs) bands (ev): -13.8372 -13.8372 -13.6740 -13.6740 -2.6058 -2.6058 -1.5734 -1.5734 -1.3471 -1.3471 -1.2092 -1.2092 -0.6886 -0.6886 -0.5306 -0.5306 0.8012 0.8012 2.2630 2.2630 2.5762 2.5762 2.9055 2.9055 4.3663 4.3663 11.1557 11.1557 11.9659 11.9659 14.1587 14.1587 14.5060 14.5060 k = 0.4833 0.3175 0.3713 ( 1816 PWs) bands (ev): -13.8364 -13.8364 -13.6744 -13.6744 -2.6017 -2.6017 -1.5760 -1.5760 -1.3552 -1.3552 -1.2048 -1.2048 -0.6861 -0.6861 -0.5251 -0.5251 0.7996 0.7996 2.2644 2.2644 2.5321 2.5321 2.9440 2.9440 4.3600 4.3600 11.1671 11.1671 11.9773 11.9773 14.1552 14.1552 14.5105 14.5105 k = 0.4778 0.3272 0.3713 ( 1818 PWs) bands (ev): -13.8353 -13.8353 -13.6749 -13.6749 -2.5962 -2.5962 -1.5798 -1.5798 -1.3653 -1.3653 -1.1995 -1.1995 -0.6831 -0.6831 -0.5173 -0.5173 0.7972 0.7972 2.2662 2.2662 2.4818 2.4818 2.9864 2.9864 4.3513 4.3513 11.1830 11.1830 11.9932 11.9932 14.1503 14.1503 14.5167 14.5167 k = 0.4722 0.3368 0.3713 ( 1822 PWs) bands (ev): -13.8339 -13.8339 -13.6756 -13.6756 -2.5890 -2.5890 -1.5850 -1.5850 -1.3765 -1.3765 -1.1938 -1.1938 -0.6798 -0.6798 -0.5071 -0.5071 0.7941 0.7941 2.2684 2.2684 2.4281 2.4281 3.0303 3.0303 4.3403 4.3403 11.2033 11.2033 12.0134 12.0134 14.1440 14.1440 14.5247 14.5247 k = 0.4667 0.3464 0.3713 ( 1826 PWs) bands (ev): -13.8323 -13.8323 -13.6765 -13.6765 -2.5804 -2.5804 -1.5916 -1.5916 -1.3882 -1.3882 -1.1882 -1.1882 -0.6765 -0.6765 -0.4943 -0.4943 0.7903 0.7903 2.2707 2.2707 2.3726 2.3726 3.0742 3.0742 4.3270 4.3270 11.2279 11.2279 12.0377 12.0377 14.1363 14.1363 14.5345 14.5345 k = 0.4611 0.3560 0.3713 ( 1822 PWs) bands (ev): -13.8303 -13.8303 -13.6774 -13.6774 -2.5701 -2.5701 -1.5998 -1.5998 -1.3997 -1.3997 -1.1827 -1.1827 -0.6732 -0.6732 -0.4789 -0.4789 0.7858 0.7858 2.2716 2.2716 2.3177 2.3177 3.1177 3.1177 4.3117 4.3117 11.2565 11.2565 12.0661 12.0661 14.1275 14.1275 14.5461 14.5461 k = 0.4556 0.3657 0.3713 ( 1822 PWs) bands (ev): -13.8281 -13.8281 -13.6786 -13.6786 -2.5585 -2.5585 -1.6099 -1.6099 -1.4107 -1.4107 -1.1776 -1.1776 -0.6703 -0.6703 -0.4611 -0.4611 0.7805 0.7805 2.2492 2.2492 2.2858 2.2858 3.1602 3.1602 4.2944 4.2944 11.2891 11.2891 12.0982 12.0982 14.1174 14.1174 14.5594 14.5594 k = 0.4500 0.3753 0.3713 ( 1830 PWs) bands (ev): -13.8256 -13.8256 -13.6799 -13.6799 -2.5455 -2.5455 -1.6219 -1.6219 -1.4208 -1.4208 -1.1729 -1.1729 -0.6679 -0.6679 -0.4410 -0.4410 0.7743 0.7743 2.1946 2.1946 2.2862 2.2862 3.2016 3.2016 4.2753 4.2753 11.3254 11.3254 12.1339 12.1339 14.1062 14.1062 14.5746 14.5746 k = 0.4444 0.3849 0.3713 ( 1826 PWs) bands (ev): -13.8229 -13.8229 -13.6813 -13.6813 -2.5310 -2.5310 -1.6357 -1.6357 -1.4297 -1.4297 -1.1685 -1.1685 -0.6657 -0.6657 -0.4187 -0.4187 0.7674 0.7674 2.1369 2.1369 2.2899 2.2899 3.2416 3.2416 4.2547 4.2547 11.3652 11.3652 12.1729 12.1729 14.0939 14.0939 14.5915 14.5915 k = 0.4389 0.3945 0.3713 ( 1828 PWs) bands (ev): -13.8199 -13.8199 -13.6829 -13.6829 -2.5154 -2.5154 -1.6513 -1.6513 -1.4374 -1.4374 -1.1645 -1.1645 -0.6640 -0.6640 -0.3946 -0.3946 0.7595 0.7595 2.0792 2.0792 2.2944 2.2944 3.2803 3.2803 4.2325 4.2325 11.4082 11.4082 12.2149 12.2149 14.0805 14.0805 14.6101 14.6101 k = 0.4333 0.4041 0.3713 ( 1828 PWs) bands (ev): -13.8166 -13.8166 -13.6846 -13.6846 -2.4985 -2.4985 -1.6684 -1.6684 -1.4439 -1.4439 -1.1608 -1.1608 -0.6627 -0.6627 -0.3687 -0.3687 0.7504 0.7504 2.0219 2.0219 2.2992 2.2992 3.3176 3.3176 4.2092 4.2092 11.4541 11.4541 12.2596 12.2596 14.0664 14.0664 14.6303 14.6303 k = 0.4278 0.4138 0.3713 ( 1832 PWs) bands (ev): -13.8132 -13.8132 -13.6865 -13.6865 -2.4805 -2.4805 -1.6870 -1.6870 -1.4493 -1.4493 -1.1574 -1.1574 -0.6617 -0.6617 -0.3414 -0.3414 0.7402 0.7402 1.9656 1.9656 2.3043 2.3043 3.3534 3.3534 4.1848 4.1848 11.5026 11.5026 12.3068 12.3068 14.0516 14.0516 14.6520 14.6520 k = 0.4222 0.4234 0.3713 ( 1828 PWs) bands (ev): -13.8096 -13.8096 -13.6885 -13.6885 -2.4614 -2.4614 -1.7066 -1.7066 -1.4537 -1.4537 -1.1543 -1.1543 -0.6610 -0.6610 -0.3126 -0.3126 0.7289 0.7289 1.9106 1.9106 2.3095 2.3095 3.3879 3.3879 4.1595 4.1595 11.5533 11.5533 12.3560 12.3560 14.0361 14.0361 14.6749 14.6749 k = 0.4167 0.4330 0.3713 ( 1828 PWs) bands (ev): -13.8057 -13.8057 -13.6907 -13.6907 -2.4415 -2.4415 -1.7270 -1.7270 -1.4573 -1.4573 -1.1515 -1.1515 -0.6606 -0.6606 -0.2828 -0.2828 0.7163 0.7163 1.8572 1.8572 2.3148 2.3148 3.4208 3.4208 4.1337 4.1337 11.6058 11.6058 12.4070 12.4070 14.0204 14.0204 14.6984 14.6984 k = 0.4111 0.4426 0.3713 ( 1832 PWs) bands (ev): -13.8017 -13.8017 -13.6930 -13.6930 -2.4207 -2.4207 -1.7482 -1.7482 -1.4602 -1.4602 -1.1490 -1.1490 -0.6604 -0.6604 -0.2520 -0.2520 0.7023 0.7023 1.8057 1.8057 2.3200 2.3200 3.4523 3.4523 4.1073 4.1073 11.6597 11.6597 12.4595 12.4595 14.0045 14.0045 14.7216 14.7216 k = 0.4056 0.4523 0.3713 ( 1840 PWs) bands (ev): -13.7976 -13.7976 -13.6955 -13.6955 -2.3993 -2.3993 -1.7698 -1.7698 -1.4626 -1.4626 -1.1468 -1.1468 -0.6604 -0.6604 -0.2206 -0.2206 0.6868 0.6868 1.7566 1.7566 2.3251 2.3251 3.4825 3.4825 4.0807 4.0807 11.7145 11.7145 12.5129 12.5129 13.9888 13.9888 14.7424 14.7424 k = 0.4000 0.4619 0.3713 ( 1834 PWs) bands (ev): -13.7933 -13.7933 -13.6980 -13.6980 -2.3772 -2.3772 -1.7916 -1.7916 -1.4645 -1.4645 -1.1446 -1.1446 -0.6605 -0.6605 -0.1884 -0.1884 0.6699 0.6699 1.7100 1.7100 2.3301 2.3301 3.5114 3.5114 4.0541 4.0541 11.7696 11.7696 12.5671 12.5671 13.9736 13.9736 14.7560 14.7560 k = 0.3944 0.4715 0.3713 ( 1830 PWs) bands (ev): -13.7889 -13.7889 -13.7007 -13.7007 -2.3547 -2.3547 -1.8134 -1.8134 -1.4659 -1.4659 -1.1427 -1.1427 -0.6608 -0.6608 -0.1557 -0.1557 0.6515 0.6515 1.6664 1.6664 2.3348 2.3348 3.5390 3.5390 4.0275 4.0275 11.8245 11.8245 12.6215 12.6215 13.9594 13.9594 14.7531 14.7531 k = 0.3889 0.4811 0.3713 ( 1830 PWs) bands (ev): -13.7844 -13.7844 -13.7036 -13.7036 -2.3321 -2.3321 -1.8350 -1.8350 -1.4671 -1.4671 -1.1409 -1.1409 -0.6612 -0.6612 -0.1228 -0.1228 0.6314 0.6314 1.6260 1.6260 2.3393 2.3393 3.5653 3.5653 4.0012 4.0012 11.8784 11.8784 12.6757 12.6757 13.9465 13.9465 14.7229 14.7229 k = 0.3833 0.4907 0.3713 ( 1822 PWs) bands (ev): -13.7799 -13.7799 -13.7066 -13.7066 -2.3093 -2.3093 -1.8564 -1.8564 -1.4678 -1.4678 -1.1392 -1.1392 -0.6617 -0.6617 -0.0899 -0.0899 0.6099 0.6099 1.5891 1.5891 2.3434 2.3434 3.5905 3.5905 3.9755 3.9755 11.9307 11.9307 12.7292 12.7292 13.9356 13.9356 14.6660 14.6660 k = 0.3778 0.5004 0.3713 ( 1822 PWs) bands (ev): -13.7753 -13.7753 -13.7097 -13.7097 -2.2869 -2.2869 -1.8772 -1.8772 -1.4685 -1.4685 -1.1378 -1.1378 -0.6623 -0.6623 -0.0571 -0.0571 0.5870 0.5870 1.5559 1.5559 2.3472 2.3472 3.6145 3.6145 3.9502 3.9502 11.9806 11.9806 12.7816 12.7816 13.9272 13.9272 14.5936 14.5936 k = 0.3722 0.5100 0.3713 ( 1822 PWs) bands (ev): -13.7706 -13.7706 -13.7130 -13.7130 -2.2650 -2.2650 -1.8974 -1.8974 -1.4691 -1.4691 -1.1366 -1.1366 -0.6629 -0.6629 -0.0247 -0.0247 0.5630 0.5630 1.5265 1.5265 2.3505 2.3505 3.6375 3.6375 3.9255 3.9255 12.0273 12.0273 12.8322 12.8322 13.9220 13.9220 14.5145 14.5145 k = 0.3667 0.5196 0.3713 ( 1822 PWs) bands (ev): -13.7660 -13.7660 -13.7163 -13.7163 -2.2440 -2.2440 -1.9165 -1.9165 -1.4695 -1.4695 -1.1355 -1.1355 -0.6636 -0.6636 0.0069 0.0069 0.5383 0.5383 1.5011 1.5011 2.3535 2.3535 3.6595 3.6595 3.9017 3.9017 12.0699 12.0699 12.8804 12.8804 13.9206 13.9206 14.4334 14.4334 k = 0.3611 0.5292 0.3713 ( 1826 PWs) bands (ev): -13.7614 -13.7614 -13.7198 -13.7198 -2.2243 -2.2243 -1.9343 -1.9343 -1.4698 -1.4698 -1.1347 -1.1347 -0.6643 -0.6643 0.0371 0.0371 0.5134 0.5134 1.4797 1.4797 2.3559 2.3559 3.6805 3.6805 3.8788 3.8788 12.1076 12.1076 12.9251 12.9251 13.9237 13.9237 14.3534 14.3534 k = 0.3556 0.5389 0.3713 ( 1824 PWs) bands (ev): -13.7568 -13.7568 -13.7234 -13.7234 -2.2065 -2.2065 -1.9502 -1.9502 -1.4700 -1.4700 -1.1339 -1.1339 -0.6648 -0.6648 0.0652 0.0652 0.4893 0.4893 1.4624 1.4624 2.3579 2.3579 3.7005 3.7005 3.8570 3.8570 12.1395 12.1395 12.9654 12.9654 13.9321 13.9321 14.2765 14.2765 k = 0.3500 0.5485 0.3713 ( 1832 PWs) bands (ev): -13.7523 -13.7523 -13.7272 -13.7272 -2.1915 -2.1915 -1.9638 -1.9638 -1.4702 -1.4702 -1.1335 -1.1335 -0.6654 -0.6654 0.0900 0.0900 0.4672 0.4672 1.4490 1.4490 2.3594 2.3594 3.7194 3.7194 3.8365 3.8365 12.1651 12.1651 12.9999 12.9999 13.9460 13.9460 14.2049 14.2049 k = 0.3444 0.5581 0.3713 ( 1840 PWs) bands (ev): -13.7480 -13.7480 -13.7310 -13.7310 -2.1799 -2.1799 -1.9741 -1.9741 -1.4704 -1.4704 -1.1331 -1.1331 -0.6659 -0.6659 0.1100 0.1100 0.4487 0.4487 1.4396 1.4396 2.3604 2.3604 3.7371 3.7371 3.8175 3.8175 12.1836 12.1836 13.0270 13.0270 13.9654 13.9654 14.1413 14.1413 k = 0.3389 0.5677 0.3713 ( 1844 PWs) bands (ev): -13.7438 -13.7438 -13.7349 -13.7349 -2.1726 -2.1726 -1.9805 -1.9805 -1.4705 -1.4705 -1.1330 -1.1330 -0.6662 -0.6662 0.1233 0.1233 0.4363 0.4363 1.4340 1.4340 2.3610 2.3610 3.7524 3.7524 3.8013 3.8013 12.1949 12.1949 13.0447 13.0447 13.9885 13.9885 14.0900 14.0900 k = 0.3333 0.5774 0.3713 ( 1848 PWs) bands (ev): -13.7408 -13.7408 -13.7377 -13.7377 -2.1702 -2.1702 -1.9827 -1.9827 -1.4705 -1.4705 -1.1329 -1.1329 -0.6663 -0.6663 0.1280 0.1280 0.4317 0.4317 1.4321 1.4321 2.3612 2.3612 3.7600 3.7600 3.7934 3.7934 12.1986 12.1986 13.0509 13.0509 14.0031 14.0031 14.0656 14.0656 k = 0.3333 0.5774 0.3713 ( 1848 PWs) bands (ev): -13.7408 -13.7408 -13.7377 -13.7377 -2.1702 -2.1702 -1.9827 -1.9827 -1.4705 -1.4705 -1.1329 -1.1329 -0.6663 -0.6663 0.1280 0.1280 0.4317 0.4317 1.4321 1.4321 2.3612 2.3612 3.7600 3.7600 3.7934 3.7934 12.1986 12.1986 13.0509 13.0509 14.0031 14.0031 14.0656 14.0656 k = 0.3278 0.5677 0.3713 ( 1844 PWs) bands (ev): -13.7437 -13.7437 -13.7349 -13.7349 -2.1724 -2.1724 -1.9808 -1.9808 -1.4705 -1.4705 -1.1330 -1.1330 -0.6662 -0.6662 0.1233 0.1233 0.4363 0.4363 1.4339 1.4339 2.3610 2.3610 3.7530 3.7530 3.8007 3.8007 12.1949 12.1949 13.0442 13.0442 13.9913 13.9913 14.0877 14.0877 k = 0.3222 0.5581 0.3713 ( 1838 PWs) bands (ev): -13.7479 -13.7479 -13.7311 -13.7311 -2.1786 -2.1786 -1.9757 -1.9757 -1.4704 -1.4704 -1.1331 -1.1331 -0.6658 -0.6658 0.1099 0.1099 0.4492 0.4492 1.4393 1.4393 2.3606 2.3606 3.7402 3.7402 3.8146 3.8146 12.1841 12.1841 13.0237 13.0237 13.9788 13.9788 14.1313 14.1313 k = 0.3167 0.5485 0.3713 ( 1830 PWs) bands (ev): -13.7523 -13.7523 -13.7274 -13.7274 -2.1876 -2.1876 -1.9687 -1.9687 -1.4702 -1.4702 -1.1333 -1.1333 -0.6650 -0.6650 0.0898 0.0898 0.4686 0.4686 1.4480 1.4480 2.3599 2.3599 3.7268 3.7268 3.8298 3.8298 12.1665 12.1665 12.9896 12.9896 13.9774 13.9774 14.1841 14.1841 k = 0.3111 0.5389 0.3713 ( 1830 PWs) bands (ev): -13.7567 -13.7567 -13.7239 -13.7239 -2.1986 -2.1986 -1.9609 -1.9609 -1.4701 -1.4701 -1.1337 -1.1337 -0.6640 -0.6640 0.0650 0.0650 0.4924 0.4924 1.4600 1.4600 2.3591 2.3591 3.7138 3.7138 3.8451 3.8451 12.1427 12.1427 12.9436 12.9436 13.9880 13.9880 14.2433 14.2433 k = 0.3056 0.5292 0.3713 ( 1830 PWs) bands (ev): -13.7613 -13.7613 -13.7207 -13.7207 -2.2107 -2.2107 -1.9531 -1.9531 -1.4700 -1.4700 -1.1341 -1.1341 -0.6627 -0.6627 0.0371 0.0371 0.5191 0.5191 1.4753 1.4753 2.3583 2.3583 3.7017 3.7017 3.8605 3.8605 12.1133 12.1133 12.8875 12.8875 14.0090 14.0090 14.3081 14.3081 k = 0.3000 0.5196 0.3713 ( 1830 PWs) bands (ev): -13.7660 -13.7660 -13.7176 -13.7176 -2.2234 -2.2234 -1.9460 -1.9460 -1.4698 -1.4698 -1.1345 -1.1345 -0.6609 -0.6609 0.0074 0.0074 0.5475 0.5475 1.4936 1.4936 2.3577 2.3577 3.6904 3.6904 3.8758 3.8758 12.0788 12.0788 12.8236 12.8236 14.0389 14.0389 14.3775 14.3775 k = 0.2944 0.5100 0.3713 ( 1834 PWs) bands (ev): -13.7708 -13.7708 -13.7148 -13.7148 -2.2363 -2.2363 -1.9400 -1.9400 -1.4697 -1.4697 -1.1350 -1.1350 -0.6590 -0.6590 -0.0232 -0.0232 0.5767 0.5767 1.5149 1.5149 2.3573 2.3573 3.6801 3.6801 3.8909 3.8909 12.0399 12.0399 12.7538 12.7538 14.0757 14.0757 14.4508 14.4508 k = 0.2889 0.5004 0.3713 ( 1830 PWs) bands (ev): -13.7756 -13.7756 -13.7122 -13.7122 -2.2490 -2.2490 -1.9354 -1.9354 -1.4695 -1.4695 -1.1352 -1.1352 -0.6565 -0.6565 -0.0541 -0.0541 0.6061 0.6061 1.5390 1.5390 2.3574 2.3574 3.6708 3.6708 3.9061 3.9061 11.9970 11.9970 12.6797 12.6797 14.1182 14.1182 14.5275 14.5275 k = 0.2833 0.4907 0.3713 ( 1836 PWs) bands (ev): -13.7806 -13.7806 -13.7100 -13.7100 -2.2615 -2.2615 -1.9326 -1.9326 -1.4694 -1.4694 -1.1354 -1.1354 -0.6539 -0.6539 -0.0850 -0.0850 0.6350 0.6350 1.5659 1.5659 2.3581 2.3581 3.6622 3.6622 3.9211 3.9211 11.9508 11.9508 12.6023 12.6023 14.1653 14.1653 14.6066 14.6066 k = 0.2778 0.4811 0.3713 ( 1832 PWs) bands (ev): -13.7855 -13.7855 -13.7080 -13.7080 -2.2735 -2.2735 -1.9315 -1.9315 -1.4692 -1.4692 -1.1353 -1.1353 -0.6510 -0.6510 -0.1153 -0.1153 0.6633 0.6633 1.5955 1.5955 2.3597 2.3597 3.6546 3.6546 3.9362 3.9362 11.9017 11.9017 12.5227 12.5227 14.2162 14.2162 14.6873 14.6873 k = 0.2722 0.4715 0.3713 ( 1836 PWs) bands (ev): -13.7906 -13.7906 -13.7063 -13.7063 -2.2850 -2.2850 -1.9323 -1.9323 -1.4691 -1.4691 -1.1349 -1.1349 -0.6481 -0.6481 -0.1449 -0.1449 0.6904 0.6904 1.6275 1.6275 2.3624 2.3624 3.6479 3.6479 3.9513 3.9513 11.8500 11.8500 12.4415 12.4415 14.2703 14.2703 14.7675 14.7675 k = 0.2667 0.4619 0.3713 ( 1836 PWs) bands (ev): -13.7957 -13.7957 -13.7049 -13.7049 -2.2957 -2.2957 -1.9350 -1.9350 -1.4690 -1.4690 -1.1342 -1.1342 -0.6451 -0.6451 -0.1735 -0.1735 0.7159 0.7159 1.6620 1.6620 2.3665 2.3665 3.6419 3.6419 3.9666 3.9666 11.7961 11.7961 12.3592 12.3592 14.3272 14.3272 14.8414 14.8414 k = 0.2611 0.4523 0.3713 ( 1828 PWs) bands (ev): -13.8009 -13.8009 -13.7038 -13.7038 -2.3057 -2.3057 -1.9396 -1.9396 -1.4689 -1.4689 -1.1329 -1.1329 -0.6422 -0.6422 -0.2007 -0.2007 0.7395 0.7395 1.6986 1.6986 2.3722 2.3722 3.6368 3.6368 3.9819 3.9819 11.7403 11.7403 12.2763 12.2763 14.3867 14.3867 14.8916 14.8916 k = 0.2556 0.4426 0.3713 ( 1828 PWs) bands (ev): -13.8061 -13.8061 -13.7031 -13.7031 -2.3149 -2.3149 -1.9462 -1.9462 -1.4689 -1.4689 -1.1313 -1.1313 -0.6397 -0.6397 -0.2264 -0.2264 0.7609 0.7609 1.7374 1.7374 2.3798 2.3798 3.6323 3.6323 3.9974 3.9974 11.6829 11.6829 12.1928 12.1928 14.4485 14.4485 14.9064 14.9064 k = 0.2500 0.4330 0.3713 ( 1828 PWs) bands (ev): -13.8113 -13.8113 -13.7027 -13.7027 -2.3232 -2.3232 -1.9546 -1.9546 -1.4690 -1.4690 -1.1293 -1.1293 -0.6379 -0.6379 -0.2503 -0.2503 0.7796 0.7796 1.7780 1.7780 2.3896 2.3896 3.6286 3.6286 4.0131 4.0131 11.6241 11.6241 12.1091 12.1091 14.5123 14.5123 14.9065 14.9065 k = 0.2444 0.4234 0.3713 ( 1820 PWs) bands (ev): -13.8166 -13.8166 -13.7026 -13.7026 -2.3305 -2.3305 -1.9647 -1.9647 -1.4692 -1.4692 -1.1267 -1.1267 -0.6368 -0.6368 -0.2722 -0.2722 0.7956 0.7956 1.8205 1.8205 2.4019 2.4019 3.6257 3.6257 4.0291 4.0291 11.5642 11.5642 12.0252 12.0252 14.5779 14.5779 14.9049 14.9049 k = 0.2389 0.4138 0.3713 ( 1816 PWs) bands (ev): -13.8219 -13.8219 -13.7028 -13.7028 -2.3368 -2.3368 -1.9765 -1.9765 -1.4695 -1.4695 -1.1236 -1.1236 -0.6368 -0.6368 -0.2918 -0.2918 0.8084 0.8084 1.8646 1.8646 2.4169 2.4169 3.6233 3.6233 4.0453 4.0453 11.5031 11.5031 11.9413 11.9413 14.6449 14.6449 14.9053 14.9053 k = 0.2333 0.4041 0.3713 ( 1816 PWs) bands (ev): -13.8273 -13.8273 -13.7034 -13.7034 -2.3422 -2.3422 -1.9898 -1.9898 -1.4699 -1.4699 -1.1201 -1.1201 -0.6383 -0.6383 -0.3088 -0.3088 0.8176 0.8176 1.9101 1.9101 2.4348 2.4348 3.6217 3.6217 4.0618 4.0618 11.4412 11.4412 11.8574 11.8574 14.7126 14.7126 14.9096 14.9096 k = 0.2278 0.3945 0.3713 ( 1812 PWs) bands (ev): -13.8327 -13.8327 -13.7042 -13.7042 -2.3465 -2.3465 -2.0045 -2.0045 -1.4705 -1.4705 -1.1161 -1.1161 -0.6413 -0.6413 -0.3229 -0.3229 0.8232 0.8232 1.9569 1.9569 2.4558 2.4558 3.6207 3.6207 4.0785 4.0785 11.3784 11.3784 11.7737 11.7737 14.7791 14.7791 14.9202 14.9202 k = 0.2222 0.3849 0.3713 ( 1812 PWs) bands (ev): -13.8380 -13.8380 -13.7055 -13.7055 -2.3498 -2.3498 -2.0204 -2.0204 -1.4713 -1.4713 -1.1116 -1.1116 -0.6459 -0.6459 -0.3341 -0.3341 0.8250 0.8250 2.0048 2.0048 2.4801 2.4801 3.6203 3.6203 4.0956 4.0956 11.3150 11.3150 11.6899 11.6899 14.8390 14.8390 14.9425 14.9425 k = 0.2167 0.3753 0.3713 ( 1812 PWs) bands (ev): -13.8434 -13.8434 -13.7070 -13.7070 -2.3520 -2.3520 -2.0375 -2.0375 -1.4723 -1.4723 -1.1068 -1.1068 -0.6523 -0.6523 -0.3423 -0.3423 0.8229 0.8229 2.0537 2.0537 2.5076 2.5076 3.6206 3.6206 4.1130 4.1130 11.2510 11.2510 11.6063 11.6063 14.8827 14.8827 14.9863 14.9863 k = 0.2111 0.3657 0.3713 ( 1820 PWs) bands (ev): -13.8488 -13.8488 -13.7088 -13.7088 -2.3531 -2.3531 -2.0556 -2.0556 -1.4737 -1.4737 -1.1016 -1.1016 -0.6603 -0.6603 -0.3478 -0.3478 0.8167 0.8167 2.1034 2.1034 2.5385 2.5385 3.6215 3.6215 4.1308 4.1308 11.1864 11.1864 11.5228 11.5228 14.9115 14.9115 15.0503 15.0503 k = 0.2056 0.3560 0.3713 ( 1820 PWs) bands (ev): -13.8542 -13.8542 -13.7109 -13.7109 -2.3531 -2.3531 -2.0745 -2.0745 -1.4752 -1.4752 -1.0960 -1.0960 -0.6695 -0.6695 -0.3504 -0.3504 0.8066 0.8066 2.1536 2.1536 2.5726 2.5726 3.6231 3.6231 4.1488 4.1488 11.1214 11.1214 11.4394 11.4394 14.9356 14.9356 15.1243 15.1243 k = 0.2000 0.3464 0.3713 ( 1820 PWs) bands (ev): -13.8596 -13.8596 -13.7133 -13.7133 -2.3520 -2.3520 -2.0941 -2.0941 -1.4771 -1.4771 -1.0900 -1.0900 -0.6797 -0.6797 -0.3507 -0.3507 0.7926 0.7926 2.2044 2.2044 2.6098 2.6098 3.6254 3.6254 4.1672 4.1672 11.0561 11.0561 11.3562 11.3562 14.9601 14.9601 15.2030 15.2030 k = 0.1944 0.3368 0.3713 ( 1820 PWs) bands (ev): -13.8649 -13.8649 -13.7160 -13.7160 -2.3498 -2.3498 -2.1142 -2.1142 -1.4793 -1.4793 -1.0837 -1.0837 -0.6906 -0.6906 -0.3489 -0.3489 0.7748 0.7748 2.2555 2.2555 2.6500 2.6500 3.6285 3.6285 4.1860 4.1860 10.9903 10.9903 11.2730 11.2730 14.9870 14.9870 15.2843 15.2843 k = 0.1889 0.3272 0.3713 ( 1826 PWs) bands (ev): -13.8702 -13.8702 -13.7190 -13.7190 -2.3466 -2.3466 -2.1347 -2.1347 -1.4819 -1.4819 -1.0772 -1.0772 -0.7019 -0.7019 -0.3454 -0.3454 0.7534 0.7534 2.3067 2.3067 2.6927 2.6927 3.6324 3.6324 4.2050 4.2050 10.9244 10.9244 11.1899 11.1899 15.0169 15.0169 15.3675 15.3675 k = 0.1833 0.3175 0.3713 ( 1830 PWs) bands (ev): -13.8755 -13.8755 -13.7221 -13.7221 -2.3425 -2.3425 -2.1553 -2.1553 -1.4850 -1.4850 -1.0704 -1.0704 -0.7132 -0.7132 -0.3403 -0.3403 0.7284 0.7284 2.3580 2.3580 2.7379 2.7379 3.6373 3.6373 4.2243 4.2243 10.8582 10.8582 11.1069 11.1069 15.0502 15.0502 15.4517 15.4517 k = 0.1778 0.3079 0.3713 ( 1822 PWs) bands (ev): -13.8807 -13.8807 -13.7255 -13.7255 -2.3374 -2.3374 -2.1757 -2.1757 -1.4884 -1.4884 -1.0633 -1.0633 -0.7240 -0.7240 -0.3340 -0.3340 0.7003 0.7003 2.4093 2.4093 2.7850 2.7850 3.6432 3.6432 4.2440 4.2440 10.7919 10.7919 11.0240 11.0240 15.0871 15.0871 15.5365 15.5365 k = 0.1722 0.2983 0.3713 ( 1822 PWs) bands (ev): -13.8858 -13.8858 -13.7291 -13.7291 -2.3319 -2.3319 -2.1956 -2.1956 -1.4922 -1.4922 -1.0561 -1.0561 -0.7344 -0.7344 -0.3269 -0.3269 0.6690 0.6690 2.4603 2.4603 2.8337 2.8337 3.6505 3.6505 4.2639 4.2639 10.7256 10.7256 10.9412 10.9412 15.1275 15.1275 15.6211 15.6211 k = 0.1667 0.2887 0.3713 ( 1822 PWs) bands (ev): -13.8909 -13.8909 -13.7329 -13.7329 -2.3266 -2.3266 -2.2143 -2.2143 -1.4965 -1.4965 -1.0488 -1.0488 -0.7440 -0.7440 -0.3189 -0.3189 0.6349 0.6349 2.5110 2.5110 2.8834 2.8834 3.6591 3.6591 4.2839 4.2839 10.6593 10.6593 10.8585 10.8585 15.1717 15.1717 15.7048 15.7048 k = 0.1611 0.2791 0.3713 ( 1822 PWs) bands (ev): -13.8960 -13.8960 -13.7369 -13.7369 -2.3227 -2.3227 -2.2303 -2.2303 -1.5014 -1.5014 -1.0414 -1.0414 -0.7528 -0.7528 -0.3102 -0.3102 0.5982 0.5982 2.5612 2.5612 2.9338 2.9338 3.6695 3.6695 4.3042 4.3042 10.5931 10.5931 10.7760 10.7760 15.2195 15.2195 15.7868 15.7868 k = 0.1556 0.2694 0.3713 ( 1830 PWs) bands (ev): -13.9009 -13.9009 -13.7410 -13.7410 -2.3226 -2.3226 -2.2414 -2.2414 -1.5067 -1.5067 -1.0341 -1.0341 -0.7607 -0.7607 -0.3011 -0.3011 0.5591 0.5591 2.6109 2.6109 2.9841 2.9841 3.6820 3.6820 4.3245 4.3245 10.5271 10.5271 10.6936 10.6936 15.2709 15.2709 15.8659 15.8659 k = 0.1500 0.2598 0.3713 ( 1830 PWs) bands (ev): -13.9058 -13.9058 -13.7453 -13.7453 -2.3288 -2.3288 -2.2448 -2.2448 -1.5124 -1.5124 -1.0267 -1.0267 -0.7674 -0.7674 -0.2916 -0.2916 0.5178 0.5178 2.6599 2.6599 3.0337 3.0337 3.6970 3.6970 4.3450 4.3450 10.4613 10.4613 10.6115 10.6115 15.3260 15.3260 15.9409 15.9409 k = 0.1444 0.2502 0.3713 ( 1834 PWs) bands (ev): -13.9106 -13.9106 -13.7496 -13.7496 -2.3412 -2.3412 -2.2407 -2.2407 -1.5186 -1.5186 -1.0193 -1.0193 -0.7731 -0.7731 -0.2818 -0.2818 0.4745 0.4745 2.7081 2.7081 3.0819 3.0819 3.7148 3.7148 4.3654 4.3654 10.3960 10.3960 10.5296 10.5296 15.3846 15.3846 16.0106 16.0106 k = 0.1389 0.2406 0.3713 ( 1842 PWs) bands (ev): -13.9152 -13.9152 -13.7541 -13.7541 -2.3576 -2.3576 -2.2311 -2.2311 -1.5251 -1.5251 -1.0120 -1.0120 -0.7778 -0.7778 -0.2719 -0.2719 0.4295 0.4295 2.7555 2.7555 3.1279 3.1279 3.7362 3.7362 4.3858 4.3858 10.3311 10.3311 10.4481 10.4481 15.4468 15.4468 16.0734 16.0734 k = 0.1333 0.2309 0.3713 ( 1842 PWs) bands (ev): -13.9198 -13.9198 -13.7586 -13.7586 -2.3759 -2.3759 -2.2181 -2.2181 -1.5319 -1.5319 -1.0047 -1.0047 -0.7813 -0.7813 -0.2616 -0.2616 0.3830 0.3830 2.8019 2.8019 3.1711 3.1711 3.7615 3.7615 4.4061 4.4061 10.2668 10.2668 10.3671 10.3671 15.5122 15.5122 16.1286 16.1286 k = 0.1278 0.2213 0.3713 ( 1838 PWs) bands (ev): -13.9242 -13.9242 -13.7631 -13.7631 -2.3950 -2.3950 -2.2028 -2.2028 -1.5387 -1.5387 -0.9975 -0.9975 -0.7836 -0.7836 -0.2513 -0.2513 0.3352 0.3352 2.8473 2.8473 3.2108 3.2108 3.7912 3.7912 4.4263 4.4263 10.2032 10.2032 10.2867 10.2867 15.5809 15.5809 16.1751 16.1751 k = 0.1222 0.2117 0.3713 ( 1838 PWs) bands (ev): -13.9286 -13.9286 -13.7677 -13.7677 -2.4144 -2.4144 -2.1858 -2.1858 -1.5458 -1.5458 -0.9905 -0.9905 -0.7850 -0.7850 -0.2409 -0.2409 0.2863 0.2863 2.8915 2.8915 3.2464 3.2464 3.8254 3.8254 4.4462 4.4462 10.1404 10.1404 10.2070 10.2070 15.6525 15.6525 16.2128 16.2128 k = 0.1167 0.2021 0.3713 ( 1834 PWs) bands (ev): -13.9327 -13.9327 -13.7722 -13.7722 -2.4337 -2.4337 -2.1674 -2.1674 -1.5528 -1.5528 -0.9836 -0.9836 -0.7854 -0.7854 -0.2306 -0.2306 0.2365 0.2365 2.9346 2.9346 3.2777 3.2777 3.8642 3.8642 4.4658 4.4658 10.0784 10.0784 10.1284 10.1284 15.7269 15.7269 16.2420 16.2420 k = 0.1111 0.1925 0.3713 ( 1834 PWs) bands (ev): -13.9368 -13.9368 -13.7767 -13.7767 -2.4527 -2.4527 -2.1479 -2.1479 -1.5597 -1.5597 -0.9769 -0.9769 -0.7850 -0.7850 -0.2204 -0.2204 0.1859 0.1859 2.9764 2.9764 3.3048 3.3048 3.9073 3.9073 4.4851 4.4851 10.0169 10.0169 10.0513 10.0513 15.8037 15.8037 16.2633 16.2633 k = 0.1056 0.1828 0.3713 ( 1842 PWs) bands (ev): -13.9407 -13.9407 -13.7812 -13.7812 -2.4713 -2.4713 -2.1277 -2.1277 -1.5665 -1.5665 -0.9704 -0.9704 -0.7839 -0.7839 -0.2105 -0.2105 0.1348 0.1348 3.0168 3.0168 3.3278 3.3278 3.9541 3.9541 4.5039 4.5039 9.9546 9.9546 9.9774 9.9774 15.8824 15.8824 16.2781 16.2781 k = 0.1000 0.1732 0.3713 ( 1842 PWs) bands (ev): -13.9444 -13.9444 -13.7856 -13.7856 -2.4894 -2.4894 -2.1065 -2.1065 -1.5728 -1.5728 -0.9641 -0.9641 -0.7821 -0.7821 -0.2007 -0.2007 0.0835 0.0835 3.0557 3.0557 3.3472 3.3472 4.0042 4.0042 4.5223 4.5223 9.8877 9.8877 9.9109 9.9109 15.9621 15.9621 16.2881 16.2881 k = 0.0944 0.1636 0.3713 ( 1842 PWs) bands (ev): -13.9480 -13.9480 -13.7899 -13.7899 -2.5068 -2.5068 -2.0849 -2.0849 -1.5787 -1.5787 -0.9580 -0.9580 -0.7797 -0.7797 -0.1914 -0.1914 0.0322 0.0322 3.0932 3.0932 3.3634 3.3634 4.0566 4.0566 4.5400 4.5400 9.8165 9.8165 9.8521 9.8521 16.0412 16.0412 16.2957 16.2957 k = 0.0889 0.1540 0.3713 ( 1846 PWs) bands (ev): -13.9514 -13.9514 -13.7940 -13.7940 -2.5236 -2.5236 -2.0629 -2.0629 -1.5840 -1.5840 -0.9521 -0.9521 -0.7769 -0.7769 -0.1827 -0.1827 -0.0187 -0.0187 3.1290 3.1290 3.3769 3.3769 4.1106 4.1106 4.5572 4.5572 9.7449 9.7449 9.7971 9.7971 16.1158 16.1158 16.3055 16.3055 k = 0.0833 0.1443 0.3713 ( 1846 PWs) bands (ev): -13.9547 -13.9547 -13.7981 -13.7981 -2.5396 -2.5396 -2.0407 -2.0407 -1.5885 -1.5885 -0.9464 -0.9464 -0.7736 -0.7736 -0.1754 -0.1754 -0.0682 -0.0682 3.1632 3.1632 3.3881 3.3881 4.1655 4.1655 4.5736 4.5736 9.6746 9.6746 9.7448 9.7448 16.1760 16.1760 16.3281 16.3281 k = 0.0778 0.1347 0.3713 ( 1850 PWs) bands (ev): -13.9578 -13.9578 -13.8020 -13.8020 -2.5548 -2.5548 -2.0188 -2.0188 -1.5920 -1.5920 -0.9408 -0.9408 -0.7700 -0.7700 -0.1728 -0.1728 -0.1129 -0.1129 3.1956 3.1956 3.3975 3.3975 4.2205 4.2205 4.5893 4.5893 9.6063 9.6063 9.6950 9.6950 16.2082 16.2082 16.3773 16.3773 k = 0.0722 0.1251 0.3713 ( 1846 PWs) bands (ev): -13.9606 -13.9606 -13.8057 -13.8057 -2.5691 -2.5691 -1.9971 -1.9971 -1.5943 -1.5943 -0.9354 -0.9354 -0.7661 -0.7661 -0.1904 -0.1904 -0.1371 -0.1371 3.2262 3.2262 3.4053 3.4053 4.2749 4.2749 4.6043 4.6043 9.5404 9.5404 9.6477 9.6477 16.2170 16.2170 16.4490 16.4490 k = 0.0667 0.1155 0.3713 ( 1846 PWs) bands (ev): -13.9633 -13.9633 -13.8092 -13.8092 -2.5825 -2.5825 -1.9762 -1.9762 -1.5954 -1.5954 -0.9301 -0.9301 -0.7622 -0.7622 -0.2316 -0.2316 -0.1373 -0.1373 3.2548 3.2548 3.4119 3.4119 4.3282 4.3282 4.6184 4.6184 9.4773 9.4773 9.6030 9.6030 16.2149 16.2149 16.5305 16.5305 k = 0.0611 0.1058 0.3713 ( 1838 PWs) bands (ev): -13.9658 -13.9658 -13.8124 -13.8124 -2.5949 -2.5949 -1.9562 -1.9562 -1.5951 -1.5951 -0.9249 -0.9249 -0.7580 -0.7580 -0.2774 -0.2774 -0.1321 -0.1321 3.2814 3.2814 3.4176 3.4176 4.3797 4.3797 4.6317 4.6317 9.4173 9.4173 9.5612 9.5612 16.2084 16.2084 16.6155 16.6155 k = 0.0556 0.0962 0.3713 ( 1838 PWs) bands (ev): -13.9681 -13.9681 -13.8155 -13.8155 -2.6065 -2.6065 -1.9377 -1.9377 -1.5933 -1.5933 -0.9199 -0.9199 -0.7538 -0.7538 -0.3233 -0.3233 -0.1259 -0.1259 3.3058 3.3058 3.4224 3.4224 4.4288 4.4288 4.6441 4.6441 9.3608 9.3608 9.5224 9.5224 16.2000 16.2000 16.7011 16.7011 k = 0.0500 0.0866 0.3713 ( 1834 PWs) bands (ev): -13.9702 -13.9702 -13.8183 -13.8183 -2.6170 -2.6170 -1.9207 -1.9207 -1.5899 -1.5899 -0.9150 -0.9150 -0.7496 -0.7496 -0.3680 -0.3680 -0.1199 -0.1199 3.3280 3.3280 3.4267 3.4267 4.4750 4.4750 4.6557 4.6557 9.3082 9.3082 9.4867 9.4867 16.1908 16.1908 16.7858 16.7858 k = 0.0444 0.0770 0.3713 ( 1834 PWs) bands (ev): -13.9720 -13.9720 -13.8209 -13.8209 -2.6264 -2.6264 -1.9057 -1.9057 -1.5850 -1.5850 -0.9102 -0.9102 -0.7453 -0.7453 -0.4108 -0.4108 -0.1142 -0.1142 3.3477 3.3477 3.4306 3.4306 4.5175 4.5175 4.6664 4.6664 9.2598 9.2598 9.4543 9.4543 16.1815 16.1815 16.8683 16.8683 k = 0.0389 0.0674 0.3713 ( 1834 PWs) bands (ev): -13.9737 -13.9737 -13.8231 -13.8231 -2.6348 -2.6348 -1.8927 -1.8927 -1.5789 -1.5789 -0.9055 -0.9055 -0.7410 -0.7410 -0.4513 -0.4513 -0.1090 -0.1090 3.3649 3.3649 3.4342 3.4342 4.5559 4.5559 4.6764 4.6764 9.2161 9.2161 9.4253 9.4253 16.1727 16.1727 16.9476 16.9476 k = 0.0333 0.0577 0.3713 ( 1838 PWs) bands (ev): -13.9752 -13.9752 -13.8251 -13.8251 -2.6422 -2.6422 -1.8819 -1.8819 -1.5719 -1.5719 -0.9010 -0.9010 -0.7366 -0.7366 -0.4891 -0.4891 -0.1044 -0.1044 3.3793 3.3793 3.4378 3.4378 4.5896 4.5896 4.6857 4.6857 9.1772 9.1772 9.3999 9.3999 16.1646 16.1646 17.0223 17.0223 k = 0.0278 0.0481 0.3713 ( 1832 PWs) bands (ev): -13.9764 -13.9764 -13.8268 -13.8268 -2.6484 -2.6484 -1.8729 -1.8729 -1.5644 -1.5644 -0.8966 -0.8966 -0.7320 -0.7320 -0.5236 -0.5236 -0.1004 -0.1004 3.3910 3.3910 3.4415 3.4415 4.6178 4.6178 4.6948 4.6948 9.1437 9.1437 9.3782 9.3782 16.1574 16.1574 17.0912 17.0912 k = 0.0222 0.0385 0.3713 ( 1820 PWs) bands (ev): -13.9774 -13.9774 -13.8282 -13.8282 -2.6536 -2.6536 -1.8658 -1.8658 -1.5570 -1.5570 -0.8924 -0.8924 -0.7270 -0.7270 -0.5541 -0.5541 -0.0970 -0.0970 3.3998 3.3998 3.4453 3.4453 4.6402 4.6402 4.7036 4.7036 9.1158 9.1158 9.3603 9.3603 16.1513 16.1513 17.1525 17.1525 k = 0.0167 0.0289 0.3713 ( 1824 PWs) bands (ev): -13.9782 -13.9782 -13.8294 -13.8294 -2.6576 -2.6576 -1.8607 -1.8607 -1.5506 -1.5506 -0.8890 -0.8890 -0.7222 -0.7222 -0.5800 -0.5800 -0.0944 -0.0944 3.4060 3.4060 3.4488 3.4488 4.6563 4.6563 4.7120 4.7120 9.0938 9.0938 9.3462 9.3462 16.1464 16.1464 17.2042 17.2042 k = 0.0111 0.0192 0.3713 ( 1824 PWs) bands (ev): -13.9787 -13.9787 -13.8302 -13.8302 -2.6605 -2.6605 -1.8572 -1.8572 -1.5454 -1.5454 -0.8862 -0.8862 -0.7175 -0.7175 -0.6004 -0.6004 -0.0925 -0.0925 3.4101 3.4101 3.4517 3.4517 4.6667 4.6667 4.7193 4.7193 9.0779 9.0779 9.3361 9.3361 16.1429 16.1429 17.2439 17.2439 k = 0.0056 0.0096 0.3713 ( 1820 PWs) bands (ev): -13.9790 -13.9790 -13.8307 -13.8307 -2.6622 -2.6622 -1.8550 -1.8550 -1.5421 -1.5421 -0.8844 -0.8844 -0.7138 -0.7138 -0.6137 -0.6137 -0.0914 -0.0914 3.4123 3.4123 3.4537 3.4537 4.6725 4.6725 4.7243 4.7243 9.0683 9.0683 9.3301 9.3301 16.1407 16.1407 17.2692 17.2692 k = 0.0000 0.0000 0.3713 ( 1820 PWs) bands (ev): -13.9792 -13.9792 -13.8308 -13.8308 -2.6628 -2.6628 -1.8543 -1.8543 -1.5410 -1.5410 -0.8838 -0.8838 -0.7124 -0.7124 -0.6184 -0.6184 -0.0910 -0.0910 3.4130 3.4130 3.4544 3.4544 4.6743 4.6743 4.7261 4.7261 9.0651 9.0651 9.3280 9.3280 16.1400 16.1400 17.2779 17.2779 k = 0.5000 0.2887 0.3713 ( 1816 PWs) bands (ev): -13.8378 -13.8378 -13.6737 -13.6737 -2.6090 -2.6090 -1.5713 -1.5713 -1.3399 -1.3399 -1.2133 -1.2133 -0.6906 -0.6906 -0.5348 -0.5348 0.8025 0.8025 2.2619 2.2619 2.6216 2.6216 2.8647 2.8647 4.3714 4.3714 11.1465 11.1465 11.9568 11.9568 14.1616 14.1616 14.5025 14.5025 k = 0.5000 0.2887 0.3604 ( 1820 PWs) bands (ev): -13.8378 -13.8378 -13.6737 -13.6737 -2.6085 -2.6085 -1.5716 -1.5716 -1.3408 -1.3408 -1.2123 -1.2123 -0.6907 -0.6907 -0.5348 -0.5348 0.8030 0.8030 2.2596 2.2596 2.6226 2.6226 2.8638 2.8638 4.3723 4.3723 11.1468 11.1468 11.9572 11.9572 14.1505 14.1505 14.5153 14.5153 k = 0.5000 0.2887 0.3495 ( 1828 PWs) bands (ev): -13.8378 -13.8378 -13.6738 -13.6738 -2.6070 -2.6070 -1.5722 -1.5722 -1.3433 -1.3433 -1.2092 -1.2092 -0.6911 -0.6911 -0.5348 -0.5348 0.8045 0.8045 2.2526 2.2526 2.6253 2.6253 2.8611 2.8611 4.3752 4.3752 11.1478 11.1478 11.9583 11.9583 14.1215 14.1215 14.5493 14.5493 k = 0.5000 0.2887 0.3386 ( 1828 PWs) bands (ev): -13.8379 -13.8379 -13.6739 -13.6739 -2.6045 -2.6045 -1.5731 -1.5731 -1.3470 -1.3470 -1.2042 -1.2042 -0.6914 -0.6914 -0.5346 -0.5346 0.8071 0.8071 2.2413 2.2413 2.6296 2.6296 2.8566 2.8566 4.3800 4.3800 11.1495 11.1495 11.9603 11.9603 14.0827 14.0827 14.5965 14.5965 k = 0.5000 0.2887 0.3276 ( 1828 PWs) bands (ev): -13.8379 -13.8379 -13.6740 -13.6740 -2.6010 -2.6010 -1.5744 -1.5744 -1.3517 -1.3517 -1.1979 -1.1979 -0.6919 -0.6919 -0.5344 -0.5344 0.8107 0.8107 2.2264 2.2264 2.6348 2.6348 2.8504 2.8504 4.3866 4.3866 11.1519 11.1519 11.9628 11.9628 14.0398 14.0398 14.6507 14.6507 k = 0.5000 0.2887 0.3167 ( 1824 PWs) bands (ev): -13.8380 -13.8380 -13.6742 -13.6742 -2.5964 -2.5964 -1.5760 -1.5760 -1.3568 -1.3568 -1.1906 -1.1906 -0.6924 -0.6924 -0.5341 -0.5341 0.8153 0.8153 2.2085 2.2085 2.6404 2.6404 2.8426 2.8426 4.3949 4.3949 11.1551 11.1551 11.9659 11.9659 13.9963 13.9963 14.7077 14.7077 k = 0.5000 0.2887 0.3058 ( 1824 PWs) bands (ev): -13.8381 -13.8381 -13.6744 -13.6744 -2.5910 -2.5910 -1.5780 -1.5780 -1.3620 -1.3620 -1.1828 -1.1828 -0.6932 -0.6932 -0.5337 -0.5337 0.8210 0.8210 2.1881 2.1881 2.6458 2.6458 2.8333 2.8333 4.4048 4.4048 11.1590 11.1590 11.9694 11.9694 13.9542 13.9542 14.7647 14.7647 k = 0.5000 0.2887 0.2949 ( 1828 PWs) bands (ev): -13.8382 -13.8382 -13.6747 -13.6747 -2.5847 -2.5847 -1.5803 -1.5803 -1.3672 -1.3672 -1.1748 -1.1748 -0.6941 -0.6941 -0.5333 -0.5333 0.8276 0.8276 2.1658 2.1658 2.6505 2.6505 2.8226 2.8226 4.4162 4.4162 11.1638 11.1638 11.9731 11.9731 13.9148 13.9148 14.8195 14.8195 k = 0.5000 0.2887 0.2840 ( 1826 PWs) bands (ev): -13.8383 -13.8383 -13.6749 -13.6749 -2.5776 -2.5776 -1.5829 -1.5829 -1.3719 -1.3719 -1.1669 -1.1669 -0.6951 -0.6951 -0.5329 -0.5329 0.8352 0.8352 2.1422 2.1422 2.6542 2.6542 2.8107 2.8107 4.4289 4.4289 11.1694 11.1694 11.9767 11.9767 13.8789 13.8789 14.8703 14.8703 k = 0.5000 0.2887 0.2730 ( 1826 PWs) bands (ev): -13.8385 -13.8385 -13.6753 -13.6753 -2.5696 -2.5696 -1.5858 -1.5858 -1.3761 -1.3761 -1.1591 -1.1591 -0.6962 -0.6962 -0.5325 -0.5325 0.8438 0.8438 2.1178 2.1178 2.6566 2.6566 2.7978 2.7978 4.4427 4.4427 11.1759 11.1759 11.9801 11.9801 13.8472 13.8472 14.9156 14.9156 k = 0.5000 0.2887 0.2621 ( 1826 PWs) bands (ev): -13.8386 -13.8386 -13.6756 -13.6756 -2.5610 -2.5610 -1.5888 -1.5888 -1.3797 -1.3797 -1.1518 -1.1518 -0.6975 -0.6975 -0.5320 -0.5320 0.8533 0.8533 2.0930 2.0930 2.6572 2.6572 2.7840 2.7840 4.4575 4.4575 11.1833 11.1833 11.9830 11.9830 13.8201 13.8201 14.9539 14.9539 k = 0.5000 0.2887 0.2512 ( 1822 PWs) bands (ev): -13.8388 -13.8388 -13.6759 -13.6759 -2.5516 -2.5516 -1.5919 -1.5919 -1.3826 -1.3826 -1.1450 -1.1450 -0.6990 -0.6990 -0.5316 -0.5316 0.8637 0.8637 2.0681 2.0681 2.6560 2.6560 2.7695 2.7695 4.4732 4.4732 11.1917 11.1917 11.9852 11.9852 13.7980 13.7980 14.9845 14.9845 k = 0.5000 0.2887 0.2403 ( 1824 PWs) bands (ev): -13.8389 -13.8389 -13.6763 -13.6763 -2.5417 -2.5417 -1.5952 -1.5952 -1.3848 -1.3848 -1.1389 -1.1389 -0.7006 -0.7006 -0.5312 -0.5312 0.8749 0.8749 2.0435 2.0435 2.6527 2.6527 2.7544 2.7544 4.4895 4.4895 11.2011 11.2011 11.9864 11.9864 13.7811 13.7811 15.0071 15.0071 k = 0.5000 0.2887 0.2294 ( 1824 PWs) bands (ev): -13.8391 -13.8391 -13.6767 -13.6767 -2.5314 -2.5314 -1.5984 -1.5984 -1.3862 -1.3862 -1.1337 -1.1337 -0.7023 -0.7023 -0.5308 -0.5308 0.8868 0.8868 2.0196 2.0196 2.6473 2.6473 2.7389 2.7389 4.5063 4.5063 11.2115 11.2115 11.9864 11.9864 13.7697 13.7697 15.0223 15.0223 k = 0.5000 0.2887 0.2184 ( 1826 PWs) bands (ev): -13.8393 -13.8393 -13.6771 -13.6771 -2.5205 -2.5205 -1.6015 -1.6015 -1.3869 -1.3869 -1.1293 -1.1293 -0.7044 -0.7044 -0.5305 -0.5305 0.8994 0.8994 1.9967 1.9967 2.6397 2.6397 2.7232 2.7232 4.5234 4.5234 11.2229 11.2229 11.9850 11.9850 13.7637 13.7637 15.0309 15.0309 k = 0.5000 0.2887 0.2075 ( 1822 PWs) bands (ev): -13.8394 -13.8394 -13.6775 -13.6775 -2.5094 -2.5094 -1.6043 -1.6043 -1.3868 -1.3868 -1.1259 -1.1259 -0.7065 -0.7065 -0.5303 -0.5303 0.9126 0.9126 1.9750 1.9750 2.6300 2.6300 2.7072 2.7072 4.5407 4.5407 11.2354 11.2354 11.9820 11.9820 13.7632 13.7632 15.0344 15.0344 k = 0.5000 0.2887 0.1966 ( 1816 PWs) bands (ev): -13.8396 -13.8396 -13.6780 -13.6780 -2.4980 -2.4980 -1.6068 -1.6068 -1.3859 -1.3859 -1.1234 -1.1234 -0.7088 -0.7088 -0.5301 -0.5301 0.9262 0.9262 1.9550 1.9550 2.6181 2.6181 2.6913 2.6913 4.5581 4.5581 11.2488 11.2488 11.9773 11.9773 13.7682 13.7682 15.0343 15.0343 k = 0.5000 0.2887 0.1857 ( 1828 PWs) bands (ev): -13.8398 -13.8398 -13.6784 -13.6784 -2.4866 -2.4866 -1.6093 -1.6093 -1.3845 -1.3845 -1.1223 -1.1223 -0.7113 -0.7113 -0.5301 -0.5301 0.9400 0.9400 1.9367 1.9367 2.6041 2.6041 2.6753 2.6753 4.5752 4.5752 11.2633 11.2633 11.9708 11.9708 13.7782 13.7782 15.0321 15.0321 k = 0.5000 0.2887 0.1747 ( 1828 PWs) bands (ev): -13.8400 -13.8400 -13.6789 -13.6789 -2.4751 -2.4751 -1.6112 -1.6112 -1.3824 -1.3824 -1.1221 -1.1221 -0.7139 -0.7139 -0.5301 -0.5301 0.9539 0.9539 1.9205 1.9205 2.5882 2.5882 2.6595 2.6595 4.5921 4.5921 11.2788 11.2788 11.9624 11.9624 13.7930 13.7930 15.0296 15.0296 k = 0.5000 0.2887 0.1638 ( 1828 PWs) bands (ev): -13.8402 -13.8402 -13.6793 -13.6793 -2.4637 -2.4637 -1.6126 -1.6126 -1.3795 -1.3795 -1.1230 -1.1230 -0.7165 -0.7165 -0.5302 -0.5302 0.9678 0.9678 1.9066 1.9066 2.5705 2.5705 2.6439 2.6439 4.6086 4.6086 11.2952 11.2952 11.9522 11.9522 13.8120 13.8120 15.0281 15.0281 k = 0.5000 0.2887 0.1529 ( 1828 PWs) bands (ev): -13.8403 -13.8403 -13.6797 -13.6797 -2.4525 -2.4525 -1.6136 -1.6136 -1.3760 -1.3760 -1.1251 -1.1251 -0.7192 -0.7192 -0.5304 -0.5304 0.9814 0.9814 1.8954 1.8954 2.5510 2.5510 2.6287 2.6287 4.6246 4.6246 11.3125 11.3125 11.9403 11.9403 13.8346 13.8346 15.0290 15.0290 k = 0.5000 0.2887 0.1420 ( 1832 PWs) bands (ev): -13.8405 -13.8405 -13.6801 -13.6801 -2.4417 -2.4417 -1.6141 -1.6141 -1.3718 -1.3718 -1.1285 -1.1285 -0.7220 -0.7220 -0.5307 -0.5307 0.9945 0.9945 1.8868 1.8868 2.5298 2.5298 2.6139 2.6139 4.6399 4.6399 11.3307 11.3307 11.9266 11.9266 13.8600 13.8600 15.0337 15.0337 k = 0.5000 0.2887 0.1311 ( 1830 PWs) bands (ev): -13.8407 -13.8407 -13.6805 -13.6805 -2.4312 -2.4312 -1.6141 -1.6141 -1.3668 -1.3668 -1.1329 -1.1329 -0.7248 -0.7248 -0.5310 -0.5310 1.0071 1.0071 1.8812 1.8812 2.5071 2.5071 2.5998 2.5998 4.6547 4.6547 11.3497 11.3497 11.9114 11.9114 13.8872 13.8872 15.0434 15.0434 k = 0.5000 0.2887 0.1201 ( 1834 PWs) bands (ev): -13.8408 -13.8408 -13.6809 -13.6809 -2.4212 -2.4212 -1.6138 -1.6138 -1.3612 -1.3612 -1.1385 -1.1385 -0.7275 -0.7275 -0.5314 -0.5314 1.0188 1.0188 1.8785 1.8785 2.4831 2.4831 2.5865 2.5865 4.6685 4.6685 11.3694 11.3694 11.8947 11.8947 13.9153 13.9153 15.0594 15.0594 k = 0.5000 0.2887 0.1092 ( 1834 PWs) bands (ev): -13.8410 -13.8410 -13.6813 -13.6813 -2.4118 -2.4118 -1.6131 -1.6131 -1.3549 -1.3549 -1.1452 -1.1452 -0.7302 -0.7302 -0.5317 -0.5317 1.0297 1.0297 1.8788 1.8788 2.4579 2.4579 2.5741 2.5741 4.6815 4.6815 11.3897 11.3897 11.8767 11.8767 13.9433 13.9433 15.0827 15.0827 k = 0.5000 0.2887 0.0983 ( 1834 PWs) bands (ev): -13.8411 -13.8411 -13.6816 -13.6816 -2.4031 -2.4031 -1.6120 -1.6120 -1.3479 -1.3479 -1.1530 -1.1530 -0.7327 -0.7327 -0.5321 -0.5321 1.0394 1.0394 1.8820 1.8820 2.4319 2.4319 2.5626 2.5626 4.6935 4.6935 11.4106 11.4106 11.8577 11.8577 13.9702 13.9702 15.1144 15.1144 k = 0.5000 0.2887 0.0874 ( 1834 PWs) bands (ev): -13.8412 -13.8412 -13.6819 -13.6819 -2.3952 -2.3952 -1.6107 -1.6107 -1.3402 -1.3402 -1.1617 -1.1617 -0.7350 -0.7350 -0.5324 -0.5324 1.0481 1.0481 1.8880 1.8880 2.4054 2.4054 2.5522 2.5522 4.7043 4.7043 11.4319 11.4319 11.8378 11.8378 13.9952 13.9952 15.1550 15.1550 k = 0.5000 0.2887 0.0765 ( 1832 PWs) bands (ev): -13.8413 -13.8413 -13.6822 -13.6822 -2.3880 -2.3880 -1.6092 -1.6092 -1.3317 -1.3317 -1.1713 -1.1713 -0.7371 -0.7371 -0.5328 -0.5328 1.0556 1.0556 1.8964 1.8964 2.3788 2.3788 2.5429 2.5429 4.7141 4.7141 11.4536 11.4536 11.8173 11.8173 14.0175 14.0175 15.2050 15.2050 k = 0.5000 0.2887 0.0655 ( 1836 PWs) bands (ev): -13.8415 -13.8415 -13.6825 -13.6825 -2.3817 -2.3817 -1.6078 -1.6078 -1.3227 -1.3227 -1.1816 -1.1816 -0.7392 -0.7392 -0.5331 -0.5331 1.0619 1.0619 1.9068 1.9068 2.3526 2.3526 2.5347 2.5347 4.7227 4.7227 11.4753 11.4753 11.7963 11.7963 14.0368 14.0368 15.2644 15.2644 k = 0.5000 0.2887 0.0546 ( 1836 PWs) bands (ev): -13.8415 -13.8415 -13.6827 -13.6827 -2.3763 -2.3763 -1.6063 -1.6063 -1.3129 -1.3129 -1.1926 -1.1926 -0.7409 -0.7409 -0.5334 -0.5334 1.0672 1.0672 1.9186 1.9186 2.3275 2.3275 2.5277 2.5277 4.7300 4.7300 11.4969 11.4969 11.7754 11.7754 14.0530 14.0530 15.3329 15.3329 k = 0.5000 0.2887 0.0437 ( 1840 PWs) bands (ev): -13.8416 -13.8416 -13.6829 -13.6829 -2.3718 -2.3718 -1.6051 -1.6051 -1.3026 -1.3026 -1.2042 -1.2042 -0.7424 -0.7424 -0.5337 -0.5337 1.0713 1.0713 1.9310 1.9310 2.3043 2.3043 2.5219 2.5219 4.7360 4.7360 11.5178 11.5178 11.7548 11.7548 14.0658 14.0658 15.4095 15.4095 k = 0.5000 0.2887 0.0328 ( 1840 PWs) bands (ev): -13.8417 -13.8417 -13.6830 -13.6830 -2.3683 -2.3683 -1.6040 -1.6040 -1.2918 -1.2918 -1.2159 -1.2159 -0.7435 -0.7435 -0.5339 -0.5339 1.0745 1.0745 1.9429 1.9429 2.2840 2.2840 2.5174 2.5174 4.7408 4.7408 11.5375 11.5375 11.7354 11.7354 14.0756 14.0756 15.4923 15.4923 k = 0.5000 0.2887 0.0218 ( 1842 PWs) bands (ev): -13.8417 -13.8417 -13.6831 -13.6831 -2.3659 -2.3659 -1.6031 -1.6031 -1.2809 -1.2809 -1.2277 -1.2277 -0.7444 -0.7444 -0.5340 -0.5340 1.0767 1.0767 1.9530 1.9530 2.2679 2.2679 2.5141 2.5141 4.7442 4.7442 11.5546 11.5546 11.7184 11.7184 14.0823 14.0823 15.5773 15.5773 k = 0.5000 0.2887 0.0109 ( 1850 PWs) bands (ev): -13.8418 -13.8418 -13.6832 -13.6832 -2.3644 -2.3644 -1.6027 -1.6027 -1.2705 -1.2705 -1.2386 -1.2386 -0.7450 -0.7450 -0.5342 -0.5342 1.0780 1.0780 1.9598 1.9598 2.2575 2.2575 2.5122 2.5122 4.7462 4.7462 11.5669 11.5669 11.7061 11.7061 14.0863 14.0863 15.6534 15.6534 k = 0.5000 0.2887-0.0000 ( 1848 PWs) bands (ev): -13.8418 -13.8418 -13.6832 -13.6832 -2.3639 -2.3639 -1.6025 -1.6025 -1.2647 -1.2647 -1.2445 -1.2445 -0.7452 -0.7452 -0.5342 -0.5342 1.0784 1.0784 1.9622 1.9622 2.2539 2.2539 2.5115 2.5115 4.7469 4.7469 11.5716 11.5716 11.7015 11.7015 14.0876 14.0876 15.6892 15.6892 k = 0.3333 0.5774-0.0000 ( 1827 PWs) bands (ev): -13.7462 -13.7462 -13.7429 -13.7429 -2.1331 -2.1331 -2.0231 -2.0231 -1.3356 -1.3356 -1.1390 -1.1390 -0.7227 -0.7227 0.4184 0.4184 0.6652 0.6652 0.9406 0.9406 3.0731 3.0731 3.2035 3.2035 3.2579 3.2579 11.9313 11.9313 13.3094 13.3094 13.3353 13.3353 14.9931 14.9931 k = 0.3333 0.5774 0.0109 ( 1830 PWs) bands (ev): -13.7462 -13.7462 -13.7429 -13.7429 -2.1332 -2.1332 -2.0231 -2.0231 -1.3359 -1.3359 -1.1390 -1.1390 -0.7225 -0.7225 0.4176 0.4176 0.6645 0.6645 0.9413 0.9413 3.0720 3.0720 3.2047 3.2047 3.2591 3.2591 11.9316 11.9316 13.3102 13.3102 13.3362 13.3362 14.9816 14.9816 k = 0.3333 0.5774 0.0218 ( 1830 PWs) bands (ev): -13.7462 -13.7462 -13.7429 -13.7429 -2.1334 -2.1334 -2.0229 -2.0229 -1.3367 -1.3367 -1.1389 -1.1389 -0.7221 -0.7221 0.4154 0.4154 0.6625 0.6625 0.9434 0.9434 3.0687 3.0687 3.2084 3.2084 3.2628 3.2628 11.9328 11.9328 13.3128 13.3128 13.3390 13.3390 14.9482 14.9482 k = 0.3333 0.5774 0.0328 ( 1830 PWs) bands (ev): -13.7461 -13.7461 -13.7428 -13.7428 -2.1338 -2.1338 -2.0225 -2.0225 -1.3379 -1.3379 -1.1389 -1.1389 -0.7215 -0.7215 0.4118 0.4118 0.6594 0.6594 0.9468 0.9468 3.0632 3.0632 3.2145 3.2145 3.2689 3.2689 11.9347 11.9347 13.3170 13.3170 13.3436 13.3436 14.8964 14.8964 k = 0.3333 0.5774 0.0437 ( 1836 PWs) bands (ev): -13.7460 -13.7460 -13.7427 -13.7427 -2.1344 -2.1344 -2.0221 -2.0221 -1.3398 -1.3398 -1.1389 -1.1389 -0.7207 -0.7207 0.4068 0.4068 0.6551 0.6551 0.9516 0.9516 3.0554 3.0554 3.2230 3.2230 3.2773 3.2773 11.9373 11.9373 13.3230 13.3230 13.3500 13.3500 14.8307 14.8307 k = 0.3333 0.5774 0.0546 ( 1836 PWs) bands (ev): -13.7459 -13.7459 -13.7426 -13.7426 -2.1351 -2.1351 -2.0216 -2.0216 -1.3420 -1.3420 -1.1387 -1.1387 -0.7197 -0.7197 0.4005 0.4005 0.6497 0.6497 0.9577 0.9577 3.0454 3.0454 3.2339 3.2339 3.2881 3.2881 11.9407 11.9407 13.3306 13.3306 13.3582 13.3582 14.7549 14.7549 k = 0.3333 0.5774 0.0655 ( 1836 PWs) bands (ev): -13.7458 -13.7458 -13.7425 -13.7425 -2.1359 -2.1359 -2.0208 -2.0208 -1.3447 -1.3447 -1.1385 -1.1385 -0.7184 -0.7184 0.3930 0.3930 0.6433 0.6433 0.9652 0.9652 3.0331 3.0331 3.2471 3.2471 3.3009 3.3009 11.9448 11.9448 13.3399 13.3399 13.3683 13.3683 14.6726 14.6726 k = 0.3333 0.5774 0.0765 ( 1836 PWs) bands (ev): -13.7457 -13.7457 -13.7424 -13.7424 -2.1369 -2.1369 -2.0200 -2.0200 -1.3479 -1.3479 -1.1383 -1.1383 -0.7169 -0.7169 0.3843 0.3843 0.6359 0.6359 0.9740 0.9740 3.0186 3.0186 3.2624 3.2624 3.3158 3.3158 11.9496 11.9496 13.3508 13.3508 13.3802 13.3802 14.5862 14.5862 k = 0.3333 0.5774 0.0874 ( 1836 PWs) bands (ev): -13.7455 -13.7455 -13.7422 -13.7422 -2.1380 -2.1380 -2.0190 -2.0190 -1.3515 -1.3515 -1.1381 -1.1381 -0.7153 -0.7153 0.3747 0.3747 0.6278 0.6278 0.9841 0.9841 3.0021 3.0021 3.2797 3.2797 3.3325 3.3325 11.9552 11.9552 13.3635 13.3635 13.3939 13.3939 14.4977 14.4977 k = 0.3333 0.5774 0.0983 ( 1842 PWs) bands (ev): -13.7454 -13.7454 -13.7421 -13.7421 -2.1392 -2.1392 -2.0180 -2.0180 -1.3556 -1.3556 -1.1379 -1.1379 -0.7136 -0.7136 0.3641 0.3641 0.6188 0.6188 0.9956 0.9956 2.9834 2.9834 3.2987 3.2987 3.3509 3.3509 11.9614 11.9614 13.3777 13.3777 13.4093 13.4093 14.4084 14.4084 k = 0.3333 0.5774 0.1092 ( 1842 PWs) bands (ev): -13.7452 -13.7452 -13.7419 -13.7419 -2.1405 -2.1405 -2.0167 -2.0167 -1.3600 -1.3600 -1.1377 -1.1377 -0.7116 -0.7116 0.3527 0.3527 0.6093 0.6093 1.0083 1.0083 2.9629 2.9629 3.3194 3.3194 3.3708 3.3708 11.9684 11.9684 13.3936 13.3936 13.4266 13.4266 14.3195 14.3195 k = 0.3333 0.5774 0.1201 ( 1836 PWs) bands (ev): -13.7449 -13.7449 -13.7417 -13.7417 -2.1419 -2.1419 -2.0154 -2.0154 -1.3647 -1.3647 -1.1374 -1.1374 -0.7092 -0.7092 0.3407 0.3407 0.5993 0.5993 1.0222 1.0222 2.9404 2.9404 3.3415 3.3415 3.3920 3.3920 11.9760 11.9760 13.4111 13.4111 13.4457 13.4457 14.2316 14.2316 k = 0.3333 0.5774 0.1311 ( 1836 PWs) bands (ev): -13.7447 -13.7447 -13.7415 -13.7415 -2.1434 -2.1434 -2.0140 -2.0140 -1.3698 -1.3698 -1.1371 -1.1371 -0.7069 -0.7069 0.3281 0.3281 0.5889 0.5889 1.0373 1.0373 2.9163 2.9163 3.3648 3.3648 3.4143 3.4143 11.9842 11.9842 13.4302 13.4302 13.4665 13.4665 14.1454 14.1454 k = 0.3333 0.5774 0.1420 ( 1836 PWs) bands (ev): -13.7445 -13.7445 -13.7413 -13.7413 -2.1449 -2.1449 -2.0125 -2.0125 -1.3752 -1.3752 -1.1368 -1.1368 -0.7045 -0.7045 0.3152 0.3152 0.5782 0.5782 1.0536 1.0536 2.8906 2.8906 3.3890 3.3890 3.4375 3.4375 11.9931 11.9931 13.4507 13.4507 13.4891 13.4891 14.0613 14.0613 k = 0.3333 0.5774 0.1529 ( 1836 PWs) bands (ev): -13.7443 -13.7443 -13.7410 -13.7410 -2.1465 -2.1465 -2.0109 -2.0109 -1.3809 -1.3809 -1.1365 -1.1365 -0.7021 -0.7021 0.3019 0.3019 0.5674 0.5674 1.0710 1.0710 2.8633 2.8633 3.4139 3.4139 3.4614 3.4614 12.0025 12.0025 13.4725 13.4725 13.5133 13.5133 13.9798 13.9798 k = 0.3333 0.5774 0.1638 ( 1836 PWs) bands (ev): -13.7440 -13.7440 -13.7408 -13.7408 -2.1482 -2.1482 -2.0092 -2.0092 -1.3868 -1.3868 -1.1362 -1.1362 -0.6995 -0.6995 0.2885 0.2885 0.5565 0.5565 1.0895 1.0895 2.8348 2.8348 3.4393 3.4393 3.4857 3.4857 12.0125 12.0125 13.4953 13.4953 13.5392 13.5392 13.9013 13.9013 k = 0.3333 0.5774 0.1747 ( 1830 PWs) bands (ev): -13.7438 -13.7438 -13.7405 -13.7405 -2.1498 -2.1498 -2.0073 -2.0073 -1.3927 -1.3927 -1.1358 -1.1358 -0.6969 -0.6969 0.2751 0.2751 0.5457 0.5457 1.1090 1.1090 2.8052 2.8052 3.4650 3.4650 3.5104 3.5104 12.0230 12.0230 13.5188 13.5188 13.5667 13.5667 13.8265 13.8265 k = 0.3333 0.5774 0.1857 ( 1830 PWs) bands (ev): -13.7435 -13.7435 -13.7403 -13.7403 -2.1515 -2.1515 -2.0055 -2.0055 -1.3989 -1.3989 -1.1355 -1.1355 -0.6943 -0.6943 0.2617 0.2617 0.5350 0.5350 1.1293 1.1293 2.7745 2.7745 3.4907 3.4907 3.5351 3.5351 12.0340 12.0340 13.5415 13.5415 13.5957 13.5957 13.7567 13.7567 k = 0.3333 0.5774 0.1966 ( 1836 PWs) bands (ev): -13.7433 -13.7433 -13.7401 -13.7401 -2.1533 -2.1533 -2.0037 -2.0037 -1.4052 -1.4052 -1.1353 -1.1353 -0.6917 -0.6917 0.2485 0.2485 0.5245 0.5245 1.1505 1.1505 2.7430 2.7430 3.5162 3.5162 3.5595 3.5595 12.0455 12.0455 13.5591 13.5591 13.6261 13.6261 13.6965 13.6965 k = 0.3333 0.5774 0.2075 ( 1836 PWs) bands (ev): -13.7430 -13.7430 -13.7398 -13.7398 -2.1550 -2.1550 -2.0018 -2.0018 -1.4114 -1.4114 -1.1350 -1.1350 -0.6891 -0.6891 0.2357 0.2357 0.5143 0.5143 1.1724 1.1724 2.7109 2.7109 3.5414 3.5414 3.5837 3.5837 12.0573 12.0573 13.5555 13.5555 13.6578 13.6578 13.6619 13.6619 k = 0.3333 0.5774 0.2184 ( 1848 PWs) bands (ev): -13.7428 -13.7428 -13.7396 -13.7396 -2.1567 -2.1567 -2.0000 -2.0000 -1.4178 -1.4178 -1.1350 -1.1350 -0.6867 -0.6867 0.2231 0.2231 0.5045 0.5045 1.1949 1.1949 2.6785 2.6785 3.5659 3.5659 3.6072 3.6072 12.0694 12.0694 13.5167 13.5167 13.6667 13.6667 13.6906 13.6906 k = 0.3333 0.5774 0.2294 ( 1848 PWs) bands (ev): -13.7426 -13.7426 -13.7394 -13.7394 -2.1583 -2.1583 -1.9981 -1.9981 -1.4239 -1.4239 -1.1347 -1.1347 -0.6843 -0.6843 0.2111 0.2111 0.4951 0.4951 1.2178 1.2178 2.6459 2.6459 3.5898 3.5898 3.6300 3.6300 12.0818 12.0818 13.4640 13.4640 13.6900 13.6900 13.7245 13.7245 k = 0.3333 0.5774 0.2403 ( 1845 PWs) bands (ev): -13.7423 -13.7423 -13.7392 -13.7392 -2.1599 -2.1599 -1.9963 -1.9963 -1.4298 -1.4298 -1.1344 -1.1344 -0.6818 -0.6818 0.1997 0.1997 0.4862 0.4862 1.2409 1.2409 2.6134 2.6134 3.6127 3.6127 3.6520 3.6520 12.0943 12.0943 13.4098 13.4098 13.7189 13.7189 13.7592 13.7592 k = 0.3333 0.5774 0.2512 ( 1839 PWs) bands (ev): -13.7421 -13.7421 -13.7390 -13.7390 -2.1613 -2.1613 -1.9943 -1.9943 -1.4355 -1.4355 -1.1341 -1.1341 -0.6795 -0.6795 0.1890 0.1890 0.4779 0.4779 1.2641 1.2641 2.5813 2.5813 3.6345 3.6345 3.6729 3.6729 12.1069 12.1069 13.3576 13.3576 13.7500 13.7500 13.7943 13.7943 k = 0.3333 0.5774 0.2621 ( 1836 PWs) bands (ev): -13.7419 -13.7419 -13.7387 -13.7387 -2.1627 -2.1627 -1.9926 -1.9926 -1.4409 -1.4409 -1.1338 -1.1338 -0.6775 -0.6775 0.1790 0.1790 0.4703 0.4703 1.2871 1.2871 2.5499 2.5499 3.6549 3.6549 3.6925 3.6925 12.1194 12.1194 13.3082 13.3082 13.7821 13.7821 13.8296 13.8296 k = 0.3333 0.5774 0.2730 ( 1836 PWs) bands (ev): -13.7417 -13.7417 -13.7386 -13.7386 -2.1640 -2.1640 -1.9909 -1.9909 -1.4461 -1.4461 -1.1336 -1.1336 -0.6755 -0.6755 0.1697 0.1697 0.4632 0.4632 1.3097 1.3097 2.5195 2.5195 3.6739 3.6739 3.7108 3.7108 12.1317 12.1317 13.2624 13.2624 13.8145 13.8145 13.8647 13.8647 k = 0.3333 0.5774 0.2840 ( 1836 PWs) bands (ev): -13.7415 -13.7415 -13.7384 -13.7384 -2.1652 -2.1652 -1.9893 -1.9893 -1.4509 -1.4509 -1.1334 -1.1334 -0.6737 -0.6737 0.1613 0.1613 0.4568 0.4568 1.3315 1.3315 2.4905 2.4905 3.6913 3.6913 3.7274 3.7274 12.1436 12.1436 13.2203 13.2203 13.8464 13.8464 13.8991 13.8991 k = 0.3333 0.5774 0.2949 ( 1827 PWs) bands (ev): -13.7414 -13.7414 -13.7382 -13.7382 -2.1663 -2.1663 -1.9877 -1.9877 -1.4551 -1.4551 -1.1331 -1.1331 -0.6720 -0.6720 0.1537 0.1537 0.4511 0.4511 1.3521 1.3521 2.4633 2.4633 3.7069 3.7069 3.7425 3.7425 12.1549 12.1549 13.1823 13.1823 13.8774 13.8774 13.9323 13.9323 k = 0.3333 0.5774 0.3058 ( 1824 PWs) bands (ev): -13.7412 -13.7412 -13.7381 -13.7381 -2.1672 -2.1672 -1.9864 -1.9864 -1.4590 -1.4590 -1.1330 -1.1330 -0.6703 -0.6703 0.1471 0.1471 0.4461 0.4461 1.3713 1.3713 2.4384 2.4384 3.7207 3.7207 3.7557 3.7557 12.1654 12.1654 13.1486 13.1486 13.9067 13.9067 13.9634 13.9634 k = 0.3333 0.5774 0.3167 ( 1824 PWs) bands (ev): -13.7411 -13.7411 -13.7380 -13.7380 -2.1681 -2.1681 -1.9853 -1.9853 -1.4623 -1.4623 -1.1329 -1.1329 -0.6691 -0.6691 0.1414 0.1414 0.4419 0.4419 1.3886 1.3886 2.4162 2.4162 3.7326 3.7326 3.7671 3.7671 12.1748 12.1748 13.1195 13.1195 13.9334 13.9334 13.9919 13.9919 k = 0.3333 0.5774 0.3276 ( 1836 PWs) bands (ev): -13.7410 -13.7410 -13.7379 -13.7379 -2.1689 -2.1689 -1.9844 -1.9844 -1.4653 -1.4653 -1.1330 -1.1330 -0.6681 -0.6681 0.1366 0.1366 0.4382 0.4382 1.4035 1.4035 2.3972 2.3972 3.7423 3.7423 3.7764 3.7764 12.1830 12.1830 13.0952 13.0952 13.9569 13.9569 14.0168 14.0168 k = 0.3333 0.5774 0.3386 ( 1836 PWs) bands (ev): -13.7409 -13.7409 -13.7378 -13.7378 -2.1694 -2.1694 -1.9836 -1.9836 -1.4675 -1.4675 -1.1329 -1.1329 -0.6673 -0.6673 0.1329 0.1329 0.4355 0.4355 1.4157 1.4157 2.3818 2.3818 3.7500 3.7500 3.7838 3.7838 12.1896 12.1896 13.0761 13.0761 13.9764 13.9764 14.0374 14.0374 k = 0.3333 0.5774 0.3495 ( 1833 PWs) bands (ev): -13.7409 -13.7409 -13.7377 -13.7377 -2.1698 -2.1698 -1.9830 -1.9830 -1.4691 -1.4691 -1.1328 -1.1328 -0.6667 -0.6667 0.1303 0.1303 0.4335 0.4335 1.4247 1.4247 2.3705 2.3705 3.7556 3.7556 3.7892 3.7892 12.1946 12.1946 13.0622 13.0622 13.9910 13.9910 14.0528 14.0528 k = 0.3333 0.5774 0.3604 ( 1842 PWs) bands (ev): -13.7408 -13.7408 -13.7377 -13.7377 -2.1701 -2.1701 -1.9828 -1.9828 -1.4702 -1.4702 -1.1329 -1.1329 -0.6664 -0.6664 0.1286 0.1286 0.4323 0.4323 1.4303 1.4303 2.3635 2.3635 3.7589 3.7589 3.7923 3.7923 12.1976 12.1976 13.0538 13.0538 14.0000 14.0000 14.0624 14.0624 k = 0.3333 0.5774 0.3713 ( 1848 PWs) bands (ev): -13.7408 -13.7408 -13.7377 -13.7377 -2.1702 -2.1702 -1.9827 -1.9827 -1.4705 -1.4705 -1.1329 -1.1329 -0.6663 -0.6663 0.1280 0.1280 0.4317 0.4317 1.4321 1.4321 2.3612 2.3612 3.7600 3.7600 3.7934 3.7934 12.1986 12.1986 13.0509 13.0509 14.0031 14.0031 14.0656 14.0656 Writing output data file CdxHOx2.save init_run : 0.26s CPU 0.76s WALL ( 1 calls) electrons : 77.46s CPU 79.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 77.46s CPU 79.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 395 calls) cegterg : 71.84s CPU 73.12s WALL ( 494 calls) Called by sum_band: Called by *egterg: h_psi : 34.92s CPU 35.96s WALL ( 8586 calls) s_psi : 1.08s CPU 1.09s WALL ( 8586 calls) g_psi : 0.06s CPU 0.09s WALL ( 7697 calls) cdiaghg : 34.43s CPU 34.69s WALL ( 8092 calls) cegterg:over : 2.03s CPU 2.19s WALL ( 7697 calls) cegterg:upda : 1.39s CPU 1.47s WALL ( 7697 calls) cegterg:last : 0.81s CPU 0.79s WALL ( 1289 calls) cdiaghg:chol : 1.68s CPU 1.69s WALL ( 8092 calls) cdiaghg:inve : 0.94s CPU 0.98s WALL ( 8092 calls) cdiaghg:para : 1.90s CPU 1.97s WALL ( 16184 calls) Called by h_psi: h_psi:vloc : 32.20s CPU 33.00s WALL ( 8586 calls) h_psi:vnl : 2.68s CPU 2.92s WALL ( 8586 calls) add_vuspsi : 1.31s CPU 1.41s WALL ( 8586 calls) General routines calbec : 1.35s CPU 1.49s WALL ( 8586 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.76s CPU 30.42s WALL ( 602328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.11s WALL ( 790 calls) Parallel routines fft_scatter : 12.05s CPU 12.40s WALL ( 602351 calls) PWSCF : 1m27.07s CPU 2m 3.58s WALL This run was terminated on: 16:48: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=