Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:11:10 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: ./LiFeP.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 44 44 12 2170 2170 324 Max 45 45 13 2175 2175 333 Sum 1597 1597 441 78245 78245 11799 bravais-lattice index = 14 lattice parameter (alat) = 6.9750 a.u. unit-cell volume = 553.7292 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.974979 celldm(2)= 1.000000 celldm(3)= 1.631807 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.631807 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.612818 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0026042 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0026042 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0026042 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0026042 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0026042 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0026042 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0026042 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0026042 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0026042 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0026042 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0026042 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0026042 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0026042 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0026042 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0026042 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0026042 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0026042 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0026042 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0026042 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0026042 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0026042 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0026042 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0026042 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0026042 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0026042 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0026042 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0026042 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0026042 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0026042 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0026042 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0026042 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0026042 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0026042 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0026042 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0026042 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0026042 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0026042 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0026042 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0026042 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0026042 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0026042 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0026042 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0026042 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0026042 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0026042 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0026042 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0026042 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0026042 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0026042 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0026042 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026042 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0026042 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0026042 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0026042 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026042 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0026042 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0026042 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0026042 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0026042 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0026042 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0026042 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0026042 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0026042 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0026042 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026042 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026042 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026042 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0026042 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026042 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0026042 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0026042 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0026042 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0026042 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0026042 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0026042 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0026042 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0026042 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0026042 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026042 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0026042 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0026042 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0026042 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0026042 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026042 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0026042 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026042 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0026042 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0026042 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0026042 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0026042 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0026042 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0026042 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0026042 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0026042 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0026042 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0026042 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0026042 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0026042 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026042 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0026042 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.0113485), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.0226969), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.0340454), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.0453939), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.0567424), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.0680908), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.0794393), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.0907878), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.1021363), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.1134847), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.1248332), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.1361817), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.1475301), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.1588786), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.1702271), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.1815756), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.1929240), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.2042725), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.2156210), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.2269695), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.2383179), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.2496664), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.2610149), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.2723633), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.2837118), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.2950603), wk = 0.0026042 k( 178) = ( 0.0000000 0.0000000 0.3064088), wk = 0.0026042 k( 179) = ( 0.0000000 0.0000000 0.3064088), wk = 0.0026042 k( 180) = ( 0.0000000 0.0116279 0.3064088), wk = 0.0026042 k( 181) = ( 0.0000000 0.0232558 0.3064088), wk = 0.0026042 k( 182) = ( 0.0000000 0.0348837 0.3064088), wk = 0.0026042 k( 183) = ( 0.0000000 0.0465116 0.3064088), wk = 0.0026042 k( 184) = ( 0.0000000 0.0581395 0.3064088), wk = 0.0026042 k( 185) = ( 0.0000000 0.0697674 0.3064088), wk = 0.0026042 k( 186) = ( 0.0000000 0.0813954 0.3064088), wk = 0.0026042 k( 187) = ( 0.0000000 0.0930233 0.3064088), wk = 0.0026042 k( 188) = ( 0.0000000 0.1046512 0.3064088), wk = 0.0026042 k( 189) = ( 0.0000000 0.1162791 0.3064088), wk = 0.0026042 k( 190) = ( 0.0000000 0.1279070 0.3064088), wk = 0.0026042 k( 191) = ( 0.0000000 0.1395349 0.3064088), wk = 0.0026042 k( 192) = ( 0.0000000 0.1511628 0.3064088), wk = 0.0026042 k( 193) = ( 0.0000000 0.1627907 0.3064088), wk = 0.0026042 k( 194) = ( 0.0000000 0.1744186 0.3064088), wk = 0.0026042 k( 195) = ( 0.0000000 0.1860465 0.3064088), wk = 0.0026042 k( 196) = ( 0.0000000 0.1976744 0.3064088), wk = 0.0026042 k( 197) = ( 0.0000000 0.2093023 0.3064088), wk = 0.0026042 k( 198) = ( 0.0000000 0.2209302 0.3064088), wk = 0.0026042 k( 199) = ( 0.0000000 0.2325581 0.3064088), wk = 0.0026042 k( 200) = ( 0.0000000 0.2441860 0.3064088), wk = 0.0026042 k( 201) = ( 0.0000000 0.2558140 0.3064088), wk = 0.0026042 k( 202) = ( 0.0000000 0.2674419 0.3064088), wk = 0.0026042 k( 203) = ( 0.0000000 0.2790698 0.3064088), wk = 0.0026042 k( 204) = ( 0.0000000 0.2906977 0.3064088), wk = 0.0026042 k( 205) = ( 0.0000000 0.3023256 0.3064088), wk = 0.0026042 k( 206) = ( 0.0000000 0.3139535 0.3064088), wk = 0.0026042 k( 207) = ( 0.0000000 0.3255814 0.3064088), wk = 0.0026042 k( 208) = ( 0.0000000 0.3372093 0.3064088), wk = 0.0026042 k( 209) = ( 0.0000000 0.3488372 0.3064088), wk = 0.0026042 k( 210) = ( 0.0000000 0.3604651 0.3064088), wk = 0.0026042 k( 211) = ( 0.0000000 0.3720930 0.3064088), wk = 0.0026042 k( 212) = ( 0.0000000 0.3837209 0.3064088), wk = 0.0026042 k( 213) = ( 0.0000000 0.3953488 0.3064088), wk = 0.0026042 k( 214) = ( 0.0000000 0.4069767 0.3064088), wk = 0.0026042 k( 215) = ( 0.0000000 0.4186047 0.3064088), wk = 0.0026042 k( 216) = ( 0.0000000 0.4302326 0.3064088), wk = 0.0026042 k( 217) = ( 0.0000000 0.4418605 0.3064088), wk = 0.0026042 k( 218) = ( 0.0000000 0.4534884 0.3064088), wk = 0.0026042 k( 219) = ( 0.0000000 0.4651163 0.3064088), wk = 0.0026042 k( 220) = ( 0.0000000 0.4767442 0.3064088), wk = 0.0026042 k( 221) = ( 0.0000000 0.4883721 0.3064088), wk = 0.0026042 k( 222) = ( 0.0000000 0.5000000 0.3064088), wk = 0.0026042 k( 223) = ( 0.0000000 0.5000000 0.3064088), wk = 0.0026042 k( 224) = ( 0.0116279 0.5000000 0.3064088), wk = 0.0026042 k( 225) = ( 0.0232558 0.5000000 0.3064088), wk = 0.0026042 k( 226) = ( 0.0348837 0.5000000 0.3064088), wk = 0.0026042 k( 227) = ( 0.0465116 0.5000000 0.3064088), wk = 0.0026042 k( 228) = ( 0.0581395 0.5000000 0.3064088), wk = 0.0026042 k( 229) = ( 0.0697674 0.5000000 0.3064088), wk = 0.0026042 k( 230) = ( 0.0813954 0.5000000 0.3064088), wk = 0.0026042 k( 231) = ( 0.0930233 0.5000000 0.3064088), wk = 0.0026042 k( 232) = ( 0.1046512 0.5000000 0.3064088), wk = 0.0026042 k( 233) = ( 0.1162791 0.5000000 0.3064088), wk = 0.0026042 k( 234) = ( 0.1279070 0.5000000 0.3064088), wk = 0.0026042 k( 235) = ( 0.1395349 0.5000000 0.3064088), wk = 0.0026042 k( 236) = ( 0.1511628 0.5000000 0.3064088), wk = 0.0026042 k( 237) = ( 0.1627907 0.5000000 0.3064088), wk = 0.0026042 k( 238) = ( 0.1744186 0.5000000 0.3064088), wk = 0.0026042 k( 239) = ( 0.1860465 0.5000000 0.3064088), wk = 0.0026042 k( 240) = ( 0.1976744 0.5000000 0.3064088), wk = 0.0026042 k( 241) = ( 0.2093023 0.5000000 0.3064088), wk = 0.0026042 k( 242) = ( 0.2209302 0.5000000 0.3064088), wk = 0.0026042 k( 243) = ( 0.2325581 0.5000000 0.3064088), wk = 0.0026042 k( 244) = ( 0.2441860 0.5000000 0.3064088), wk = 0.0026042 k( 245) = ( 0.2558140 0.5000000 0.3064088), wk = 0.0026042 k( 246) = ( 0.2674419 0.5000000 0.3064088), wk = 0.0026042 k( 247) = ( 0.2790698 0.5000000 0.3064088), wk = 0.0026042 k( 248) = ( 0.2906977 0.5000000 0.3064088), wk = 0.0026042 k( 249) = ( 0.3023256 0.5000000 0.3064088), wk = 0.0026042 k( 250) = ( 0.3139535 0.5000000 0.3064088), wk = 0.0026042 k( 251) = ( 0.3255814 0.5000000 0.3064088), wk = 0.0026042 k( 252) = ( 0.3372093 0.5000000 0.3064088), wk = 0.0026042 k( 253) = ( 0.3488372 0.5000000 0.3064088), wk = 0.0026042 k( 254) = ( 0.3604651 0.5000000 0.3064088), wk = 0.0026042 k( 255) = ( 0.3720930 0.5000000 0.3064088), wk = 0.0026042 k( 256) = ( 0.3837209 0.5000000 0.3064088), wk = 0.0026042 k( 257) = ( 0.3953488 0.5000000 0.3064088), wk = 0.0026042 k( 258) = ( 0.4069767 0.5000000 0.3064088), wk = 0.0026042 k( 259) = ( 0.4186047 0.5000000 0.3064088), wk = 0.0026042 k( 260) = ( 0.4302326 0.5000000 0.3064088), wk = 0.0026042 k( 261) = ( 0.4418605 0.5000000 0.3064088), wk = 0.0026042 k( 262) = ( 0.4534884 0.5000000 0.3064088), wk = 0.0026042 k( 263) = ( 0.4651163 0.5000000 0.3064088), wk = 0.0026042 k( 264) = ( 0.4767442 0.5000000 0.3064088), wk = 0.0026042 k( 265) = ( 0.4883721 0.5000000 0.3064088), wk = 0.0026042 k( 266) = ( 0.5000000 0.5000000 0.3064088), wk = 0.0026042 k( 267) = ( 0.5000000 0.5000000 0.3064088), wk = 0.0026042 k( 268) = ( 0.4918033 0.4918033 0.3064088), wk = 0.0026042 k( 269) = ( 0.4836066 0.4836066 0.3064088), wk = 0.0026042 k( 270) = ( 0.4754098 0.4754098 0.3064088), wk = 0.0026042 k( 271) = ( 0.4672131 0.4672131 0.3064088), wk = 0.0026042 k( 272) = ( 0.4590164 0.4590164 0.3064088), wk = 0.0026042 k( 273) = ( 0.4508197 0.4508197 0.3064088), wk = 0.0026042 k( 274) = ( 0.4426230 0.4426229 0.3064088), wk = 0.0026042 k( 275) = ( 0.4344262 0.4344262 0.3064088), wk = 0.0026042 k( 276) = ( 0.4262295 0.4262295 0.3064088), wk = 0.0026042 k( 277) = ( 0.4180328 0.4180328 0.3064088), wk = 0.0026042 k( 278) = ( 0.4098361 0.4098361 0.3064088), wk = 0.0026042 k( 279) = ( 0.4016393 0.4016393 0.3064088), wk = 0.0026042 k( 280) = ( 0.3934426 0.3934426 0.3064088), wk = 0.0026042 k( 281) = ( 0.3852459 0.3852459 0.3064088), wk = 0.0026042 k( 282) = ( 0.3770492 0.3770492 0.3064088), wk = 0.0026042 k( 283) = ( 0.3688525 0.3688525 0.3064088), wk = 0.0026042 k( 284) = ( 0.3606557 0.3606557 0.3064088), wk = 0.0026042 k( 285) = ( 0.3524590 0.3524590 0.3064088), wk = 0.0026042 k( 286) = ( 0.3442623 0.3442623 0.3064088), wk = 0.0026042 k( 287) = ( 0.3360656 0.3360656 0.3064088), wk = 0.0026042 k( 288) = ( 0.3278688 0.3278688 0.3064088), wk = 0.0026042 k( 289) = ( 0.3196721 0.3196721 0.3064088), wk = 0.0026042 k( 290) = ( 0.3114754 0.3114754 0.3064088), wk = 0.0026042 k( 291) = ( 0.3032787 0.3032787 0.3064088), wk = 0.0026042 k( 292) = ( 0.2950820 0.2950820 0.3064088), wk = 0.0026042 k( 293) = ( 0.2868852 0.2868852 0.3064088), wk = 0.0026042 k( 294) = ( 0.2786885 0.2786885 0.3064088), wk = 0.0026042 k( 295) = ( 0.2704918 0.2704918 0.3064088), wk = 0.0026042 k( 296) = ( 0.2622951 0.2622951 0.3064088), wk = 0.0026042 k( 297) = ( 0.2540984 0.2540984 0.3064088), wk = 0.0026042 k( 298) = ( 0.2459016 0.2459016 0.3064088), wk = 0.0026042 k( 299) = ( 0.2377049 0.2377049 0.3064088), wk = 0.0026042 k( 300) = ( 0.2295082 0.2295082 0.3064088), wk = 0.0026042 k( 301) = ( 0.2213115 0.2213115 0.3064088), wk = 0.0026042 k( 302) = ( 0.2131147 0.2131147 0.3064088), wk = 0.0026042 k( 303) = ( 0.2049180 0.2049180 0.3064088), wk = 0.0026042 k( 304) = ( 0.1967213 0.1967213 0.3064088), wk = 0.0026042 k( 305) = ( 0.1885246 0.1885246 0.3064088), wk = 0.0026042 k( 306) = ( 0.1803279 0.1803279 0.3064088), wk = 0.0026042 k( 307) = ( 0.1721312 0.1721311 0.3064088), wk = 0.0026042 k( 308) = ( 0.1639344 0.1639344 0.3064088), wk = 0.0026042 k( 309) = ( 0.1557377 0.1557377 0.3064088), wk = 0.0026042 k( 310) = ( 0.1475410 0.1475410 0.3064088), wk = 0.0026042 k( 311) = ( 0.1393443 0.1393443 0.3064088), wk = 0.0026042 k( 312) = ( 0.1311475 0.1311475 0.3064088), wk = 0.0026042 k( 313) = ( 0.1229508 0.1229508 0.3064088), wk = 0.0026042 k( 314) = ( 0.1147541 0.1147541 0.3064088), wk = 0.0026042 k( 315) = ( 0.1065574 0.1065574 0.3064088), wk = 0.0026042 k( 316) = ( 0.0983607 0.0983607 0.3064088), wk = 0.0026042 k( 317) = ( 0.0901639 0.0901639 0.3064088), wk = 0.0026042 k( 318) = ( 0.0819672 0.0819672 0.3064088), wk = 0.0026042 k( 319) = ( 0.0737705 0.0737705 0.3064088), wk = 0.0026042 k( 320) = ( 0.0655738 0.0655738 0.3064088), wk = 0.0026042 k( 321) = ( 0.0573770 0.0573770 0.3064088), wk = 0.0026042 k( 322) = ( 0.0491803 0.0491803 0.3064088), wk = 0.0026042 k( 323) = ( 0.0409836 0.0409836 0.3064088), wk = 0.0026042 k( 324) = ( 0.0327869 0.0327869 0.3064088), wk = 0.0026042 k( 325) = ( 0.0245902 0.0245902 0.3064088), wk = 0.0026042 k( 326) = ( 0.0163934 0.0163934 0.3064088), wk = 0.0026042 k( 327) = ( 0.0081967 0.0081967 0.3064088), wk = 0.0026042 k( 328) = ( 0.0000000 0.0000000 0.3064088), wk = 0.0026042 k( 329) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 330) = ( 0.0000000 0.5000000 0.0113485), wk = 0.0026042 k( 331) = ( 0.0000000 0.5000000 0.0226969), wk = 0.0026042 k( 332) = ( 0.0000000 0.5000000 0.0340454), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 0.0453939), wk = 0.0026042 k( 334) = ( 0.0000000 0.5000000 0.0567424), wk = 0.0026042 k( 335) = ( 0.0000000 0.5000000 0.0680908), wk = 0.0026042 k( 336) = ( 0.0000000 0.5000000 0.0794393), wk = 0.0026042 k( 337) = ( 0.0000000 0.5000000 0.0907878), wk = 0.0026042 k( 338) = ( 0.0000000 0.5000000 0.1021363), wk = 0.0026042 k( 339) = ( 0.0000000 0.5000000 0.1134847), wk = 0.0026042 k( 340) = ( 0.0000000 0.5000000 0.1248332), wk = 0.0026042 k( 341) = ( 0.0000000 0.5000000 0.1361817), wk = 0.0026042 k( 342) = ( 0.0000000 0.5000000 0.1475301), wk = 0.0026042 k( 343) = ( 0.0000000 0.5000000 0.1588786), wk = 0.0026042 k( 344) = ( 0.0000000 0.5000000 0.1702271), wk = 0.0026042 k( 345) = ( 0.0000000 0.5000000 0.1815756), wk = 0.0026042 k( 346) = ( 0.0000000 0.5000000 0.1929240), wk = 0.0026042 k( 347) = ( 0.0000000 0.5000000 0.2042725), wk = 0.0026042 k( 348) = ( 0.0000000 0.5000000 0.2156210), wk = 0.0026042 k( 349) = ( 0.0000000 0.5000000 0.2269695), wk = 0.0026042 k( 350) = ( 0.0000000 0.5000000 0.2383179), wk = 0.0026042 k( 351) = ( 0.0000000 0.5000000 0.2496664), wk = 0.0026042 k( 352) = ( 0.0000000 0.5000000 0.2610149), wk = 0.0026042 k( 353) = ( 0.0000000 0.5000000 0.2723633), wk = 0.0026042 k( 354) = ( 0.0000000 0.5000000 0.2837118), wk = 0.0026042 k( 355) = ( 0.0000000 0.5000000 0.2950603), wk = 0.0026042 k( 356) = ( 0.0000000 0.5000000 0.3064088), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.0113485), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.0226969), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.0340454), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.0453939), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.0567424), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.0680908), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.0794393), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.0907878), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.1021363), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.1134847), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.1248332), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.1361817), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.1475301), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.1588786), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.1702271), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.1815756), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.1929240), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.2042725), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.2156210), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.2269695), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.2383179), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.2496664), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.2610149), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.2723633), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.2837118), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.2950603), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.3064088), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0026042 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0026042 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0026042 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0026042 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0026042 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0026042 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0026042 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0026042 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0026042 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0026042 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0026042 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0026042 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0026042 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0026042 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0026042 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0026042 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0026042 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0026042 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0026042 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0026042 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0026042 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0026042 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0026042 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0026042 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0026042 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0026042 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0026042 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0026042 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0026042 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0026042 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0026042 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0026042 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0026042 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0026042 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0026042 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0026042 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0026042 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0026042 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0026042 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0026042 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0026042 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0026042 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0026042 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0026042 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0026042 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0026042 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0026042 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0026042 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0026042 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0026042 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0026042 k( 96) = ( 0.4426230 0.4426230 -0.0000000), wk = 0.0026042 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0026042 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0026042 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0026042 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0026042 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0026042 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0026042 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0026042 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0026042 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0026042 k( 106) = ( 0.3606557 0.3606557 0.0000000), wk = 0.0026042 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0026042 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0026042 k( 109) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0026042 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0026042 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0026042 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0026042 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0026042 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0026042 k( 115) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0026042 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0026042 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0026042 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0026042 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0026042 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0026042 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0026042 k( 122) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0026042 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0026042 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0026042 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0026042 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0026042 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0026042 k( 128) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0026042 k( 129) = ( 0.1721312 0.1721312 -0.0000000), wk = 0.0026042 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0026042 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0026042 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0026042 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0026042 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0026042 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0026042 k( 136) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0026042 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0026042 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0026042 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0026042 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0026042 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0026042 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0026042 k( 143) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0026042 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0026042 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0026042 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0026042 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0026042 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026042 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 180) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0026042 k( 181) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0026042 k( 182) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0026042 k( 183) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0026042 k( 184) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0026042 k( 185) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0026042 k( 186) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0026042 k( 187) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0026042 k( 188) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0026042 k( 189) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0026042 k( 190) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0026042 k( 191) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0026042 k( 192) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0026042 k( 193) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0026042 k( 194) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0026042 k( 195) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0026042 k( 196) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0026042 k( 197) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0026042 k( 198) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0026042 k( 199) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0026042 k( 200) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0026042 k( 201) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0026042 k( 202) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0026042 k( 203) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0026042 k( 204) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0026042 k( 205) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0026042 k( 206) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0026042 k( 207) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0026042 k( 208) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0026042 k( 209) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0026042 k( 210) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0026042 k( 211) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0026042 k( 212) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0026042 k( 213) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0026042 k( 214) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0026042 k( 215) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0026042 k( 216) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0026042 k( 217) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0026042 k( 218) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0026042 k( 219) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0026042 k( 220) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0026042 k( 221) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0026042 k( 222) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 223) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 224) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0026042 k( 225) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0026042 k( 226) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0026042 k( 227) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0026042 k( 228) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0026042 k( 229) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0026042 k( 230) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0026042 k( 231) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0026042 k( 232) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0026042 k( 233) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0026042 k( 234) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0026042 k( 235) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0026042 k( 236) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0026042 k( 237) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0026042 k( 238) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0026042 k( 239) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0026042 k( 240) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0026042 k( 241) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0026042 k( 242) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0026042 k( 243) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0026042 k( 244) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0026042 k( 245) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0026042 k( 246) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0026042 k( 247) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0026042 k( 248) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0026042 k( 249) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0026042 k( 250) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0026042 k( 251) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0026042 k( 252) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0026042 k( 253) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0026042 k( 254) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0026042 k( 255) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0026042 k( 256) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0026042 k( 257) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0026042 k( 258) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0026042 k( 259) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0026042 k( 260) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0026042 k( 261) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0026042 k( 262) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0026042 k( 263) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0026042 k( 264) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0026042 k( 265) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0026042 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 268) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0026042 k( 269) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0026042 k( 270) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0026042 k( 271) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0026042 k( 272) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0026042 k( 273) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0026042 k( 274) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0026042 k( 275) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0026042 k( 276) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0026042 k( 277) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0026042 k( 278) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0026042 k( 279) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0026042 k( 280) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0026042 k( 281) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0026042 k( 282) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0026042 k( 283) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0026042 k( 284) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0026042 k( 285) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0026042 k( 286) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0026042 k( 287) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0026042 k( 288) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0026042 k( 289) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0026042 k( 290) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0026042 k( 291) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0026042 k( 292) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0026042 k( 293) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0026042 k( 294) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0026042 k( 295) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0026042 k( 296) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0026042 k( 297) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0026042 k( 298) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0026042 k( 299) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0026042 k( 300) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0026042 k( 301) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0026042 k( 302) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0026042 k( 303) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0026042 k( 304) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0026042 k( 305) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0026042 k( 306) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0026042 k( 307) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0026042 k( 308) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0026042 k( 309) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0026042 k( 310) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0026042 k( 311) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0026042 k( 312) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0026042 k( 313) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0026042 k( 314) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0026042 k( 315) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0026042 k( 316) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0026042 k( 317) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0026042 k( 318) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0026042 k( 319) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0026042 k( 320) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0026042 k( 321) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0026042 k( 322) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0026042 k( 323) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0026042 k( 324) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0026042 k( 325) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0026042 k( 326) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0026042 k( 327) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0026042 k( 328) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 329) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026042 k( 330) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0026042 k( 331) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0026042 k( 332) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0026042 k( 334) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0026042 k( 335) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0026042 k( 336) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0026042 k( 337) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0026042 k( 338) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026042 k( 339) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0026042 k( 340) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0026042 k( 341) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0026042 k( 342) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0026042 k( 343) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0026042 k( 344) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0026042 k( 345) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0026042 k( 346) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0026042 k( 347) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026042 k( 348) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0026042 k( 349) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0026042 k( 350) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0026042 k( 351) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0026042 k( 352) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0026042 k( 353) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0026042 k( 354) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0026042 k( 355) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0026042 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.1481482), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.3518519), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 Dense grid: 78245 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 550, 40) NL pseudopotentials 0.69 Mb ( 275, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2173) G-vector shells 0.01 Mb ( 1026) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 550, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.20 Mb ( 164, 2, 40) The potential is recalculated from file : ./LiFeP.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.0 secs Computing kpt #: 15 total cpu time spent up to now is 10.5 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.0 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.7 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.7 secs Computing kpt #: 30 total cpu time spent up to now is 18.2 secs Computing kpt #: 31 total cpu time spent up to now is 18.8 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.8 secs Computing kpt #: 36 total cpu time spent up to now is 21.3 secs Computing kpt #: 37 total cpu time spent up to now is 21.9 secs Computing kpt #: 38 total cpu time spent up to now is 22.4 secs Computing kpt #: 39 total cpu time spent up to now is 22.9 secs Computing kpt #: 40 total cpu time spent up to now is 23.4 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.4 secs Computing kpt #: 43 total cpu time spent up to now is 25.0 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 26.0 secs Computing kpt #: 46 total cpu time spent up to now is 26.5 secs Computing kpt #: 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Computing kpt #: 94 total cpu time spent up to now is 51.8 secs Computing kpt #: 95 total cpu time spent up to now is 52.3 secs Computing kpt #: 96 total cpu time spent up to now is 52.9 secs Computing kpt #: 97 total cpu time spent up to now is 53.4 secs Computing kpt #: 98 total cpu time spent up to now is 53.9 secs Computing kpt #: 99 total cpu time spent up to now is 54.4 secs Computing kpt #: 100 total cpu time spent up to now is 54.9 secs Computing kpt #: 101 total cpu time spent up to now is 55.4 secs Computing kpt #: 102 total cpu time spent up to now is 55.9 secs Computing kpt #: 103 total cpu time spent up to now is 56.4 secs Computing kpt #: 104 total cpu time spent up to now is 57.0 secs Computing kpt #: 105 total cpu time spent up to now is 57.5 secs Computing kpt #: 106 total cpu time spent up to now is 58.0 secs Computing kpt #: 107 total cpu time spent up to now is 58.5 secs Computing kpt #: 108 total cpu time spent up to now is 59.0 secs Computing kpt #: 109 total cpu 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secs Computing kpt #: 171 total cpu time spent up to now is 92.0 secs Computing kpt #: 172 total cpu time spent up to now is 92.6 secs Computing kpt #: 173 total cpu time spent up to now is 93.1 secs Computing kpt #: 174 total cpu time spent up to now is 93.6 secs Computing kpt #: 175 total cpu time spent up to now is 94.1 secs Computing kpt #: 176 total cpu time spent up to now is 94.6 secs Computing kpt #: 177 total cpu time spent up to now is 95.1 secs Computing kpt #: 178 total cpu time spent up to now is 95.6 secs Computing kpt #: 179 total cpu time spent up to now is 96.1 secs Computing kpt #: 180 total cpu time spent up to now is 96.7 secs Computing kpt #: 181 total cpu time spent up to now is 97.2 secs Computing kpt #: 182 total cpu time spent up to now is 97.7 secs Computing kpt #: 183 total cpu time spent up to now is 98.2 secs Computing kpt #: 184 total cpu time spent up to now is 98.7 secs Computing kpt #: 185 total cpu time spent up to now is 99.3 secs Computing kpt #: 186 total cpu time spent up to now is 99.8 secs Computing kpt #: 187 total cpu time spent up to now is 100.3 secs Computing kpt #: 188 total cpu time spent up to now is 100.9 secs Computing kpt #: 189 total cpu time spent up to now is 101.4 secs Computing kpt #: 190 total cpu time spent up to now is 101.9 secs Computing kpt #: 191 total cpu time spent up to now is 102.5 secs Computing kpt #: 192 total cpu time spent up to now is 103.0 secs Computing kpt #: 193 total cpu time spent up to now is 103.5 secs Computing kpt #: 194 total cpu time spent up to now is 104.0 secs Computing kpt #: 195 total cpu time spent up to now is 104.6 secs Computing kpt #: 196 total cpu time spent up to now is 105.1 secs Computing kpt #: 197 total cpu time spent up to now is 105.7 secs Computing kpt #: 198 total cpu time spent up to now is 106.2 secs Computing kpt #: 199 total cpu time spent up to now is 106.8 secs Computing kpt #: 200 total cpu time spent up to now is 107.3 secs Computing kpt #: 201 total cpu 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up to now is 116.1 secs Computing kpt #: 217 total cpu time spent up to now is 116.6 secs Computing kpt #: 218 total cpu time spent up to now is 117.2 secs Computing kpt #: 219 total cpu time spent up to now is 117.7 secs Computing kpt #: 220 total cpu time spent up to now is 118.3 secs Computing kpt #: 221 total cpu time spent up to now is 118.8 secs Computing kpt #: 222 total cpu time spent up to now is 119.4 secs Computing kpt #: 223 total cpu time spent up to now is 119.9 secs Computing kpt #: 224 total cpu time spent up to now is 120.4 secs Computing kpt #: 225 total cpu time spent up to now is 121.0 secs Computing kpt #: 226 total cpu time spent up to now is 121.5 secs Computing kpt #: 227 total cpu time spent up to now is 122.1 secs Computing kpt #: 228 total cpu time spent up to now is 122.6 secs Computing kpt #: 229 total cpu time spent up to now is 123.2 secs Computing kpt #: 230 total cpu time spent up to now is 123.7 secs Computing kpt #: 231 total cpu time spent up to now is 124.3 secs Computing kpt #: 232 total cpu time spent up to now is 124.8 secs Computing kpt #: 233 total cpu time spent up to now is 125.4 secs Computing kpt #: 234 total cpu time spent up to now is 125.9 secs Computing kpt #: 235 total cpu time spent up to now is 126.5 secs Computing kpt #: 236 total cpu time spent up to now is 127.0 secs Computing kpt #: 237 total cpu time spent up to now is 127.5 secs Computing kpt #: 238 total cpu time spent up to now is 128.1 secs Computing kpt #: 239 total cpu time spent up to now is 128.6 secs Computing kpt #: 240 total cpu time spent up to now is 129.1 secs Computing kpt #: 241 total cpu time spent up to now is 129.7 secs Computing kpt #: 242 total cpu time spent up to now is 130.2 secs Computing kpt #: 243 total cpu time spent up to now is 130.8 secs Computing kpt #: 244 total cpu time spent up to now is 131.3 secs Computing kpt #: 245 total cpu time spent up to now is 131.8 secs Computing kpt #: 246 total cpu time spent up to now is 132.4 secs Computing kpt #: 247 total cpu time spent up to now is 132.9 secs Computing kpt #: 248 total cpu time spent up to now is 133.4 secs Computing kpt #: 249 total cpu time spent up to now is 133.9 secs Computing kpt #: 250 total cpu time spent up to now is 134.4 secs Computing kpt #: 251 total cpu time spent up to now is 135.1 secs Computing kpt #: 252 total cpu time spent up to now is 135.6 secs Computing kpt #: 253 total cpu time spent up to now is 136.1 secs Computing kpt #: 254 total cpu time spent up to now is 136.6 secs Computing kpt #: 255 total cpu time spent up to now is 137.1 secs Computing kpt #: 256 total cpu time spent up to now is 137.6 secs Computing kpt #: 257 total cpu time spent up to now is 138.1 secs Computing kpt #: 258 total cpu time spent up to now is 138.5 secs Computing kpt #: 259 total cpu time spent up to now is 139.0 secs Computing kpt #: 260 total cpu time spent up to now is 139.5 secs Computing kpt #: 261 total cpu time spent up to now is 140.0 secs Computing kpt #: 262 total cpu time spent up to now is 140.5 secs Computing kpt #: 263 total cpu time spent up to now is 141.0 secs Computing kpt #: 264 total cpu time spent up to now is 141.4 secs Computing kpt #: 265 total cpu time spent up to now is 141.9 secs Computing kpt #: 266 total cpu time spent up to now is 142.4 secs Computing kpt #: 267 total cpu time spent up to now is 142.8 secs Computing kpt #: 268 total cpu time spent up to now is 143.3 secs Computing kpt #: 269 total cpu time spent up to now is 143.7 secs Computing kpt #: 270 total cpu time spent up to now is 144.2 secs Computing kpt #: 271 total cpu time spent up to now is 144.7 secs Computing kpt #: 272 total cpu time spent up to now is 145.1 secs Computing kpt #: 273 total cpu time spent up to now is 145.6 secs Computing kpt #: 274 total cpu time spent up to now is 146.1 secs Computing kpt #: 275 total cpu time spent up to now is 146.6 secs Computing kpt #: 276 total cpu time spent up to now is 147.0 secs Computing kpt #: 277 total cpu time spent up to now is 147.5 secs Computing kpt #: 278 total cpu time spent up to now is 148.0 secs Computing kpt #: 279 total cpu time spent up to now is 148.5 secs Computing kpt #: 280 total cpu time spent up to now is 149.0 secs Computing kpt #: 281 total cpu time spent up to now is 149.4 secs Computing kpt #: 282 total cpu time spent up to now is 149.9 secs Computing kpt #: 283 total cpu time spent up to now is 150.4 secs Computing kpt #: 284 total cpu time spent up to now is 150.9 secs Computing kpt #: 285 total cpu time spent up to now is 151.4 secs Computing kpt #: 286 total cpu time spent up to now is 151.9 secs Computing kpt #: 287 total cpu time spent up to now is 152.4 secs Computing kpt #: 288 total cpu time spent up to now is 152.9 secs Computing kpt #: 289 total cpu time spent up to now is 153.4 secs Computing kpt #: 290 total cpu time spent up to now is 153.9 secs Computing kpt #: 291 total cpu time spent up to now is 154.4 secs Computing kpt #: 292 total cpu time spent up to now is 154.9 secs Computing kpt #: 293 total cpu time spent up to now is 155.5 secs Computing kpt #: 294 total cpu time spent up to now is 156.0 secs Computing kpt #: 295 total cpu time spent up to now is 156.5 secs Computing kpt #: 296 total cpu time spent up to now is 157.0 secs Computing kpt #: 297 total cpu time spent up to now is 157.5 secs Computing kpt #: 298 total cpu time spent up to now is 158.0 secs Computing kpt #: 299 total cpu time spent up to now is 158.6 secs Computing kpt #: 300 total cpu time spent up to now is 159.1 secs Computing kpt #: 301 total cpu time spent up to now is 159.6 secs Computing kpt #: 302 total cpu time spent up to now is 160.2 secs Computing kpt #: 303 total cpu time spent up to now is 160.7 secs Computing kpt #: 304 total cpu time spent up to now is 161.2 secs Computing kpt #: 305 total cpu time spent up to now is 161.7 secs Computing kpt #: 306 total cpu time spent up to now is 162.3 secs Computing kpt #: 307 total cpu time spent up to now is 162.8 secs Computing kpt #: 308 total cpu time spent up to now is 163.3 secs Computing kpt #: 309 total cpu time spent up to now is 163.8 secs Computing kpt #: 310 total cpu time spent up to now is 164.4 secs Computing kpt #: 311 total cpu time spent up to now is 164.9 secs Computing kpt #: 312 total cpu time spent up to now is 165.4 secs Computing kpt #: 313 total cpu time spent up to now is 166.0 secs Computing kpt #: 314 total cpu time spent up to now is 166.5 secs Computing kpt #: 315 total cpu time spent up to now is 167.0 secs Computing kpt #: 316 total cpu time spent up to now is 167.5 secs Computing kpt #: 317 total cpu time spent up to now is 168.1 secs Computing kpt #: 318 total cpu time spent up to now is 168.6 secs Computing kpt #: 319 total cpu time spent up to now is 169.1 secs Computing kpt #: 320 total cpu time spent up to now is 169.7 secs Computing kpt #: 321 total cpu time spent up to now is 170.2 secs Computing kpt #: 322 total cpu time spent up to now is 170.7 secs Computing kpt #: 323 total cpu time spent up to now is 171.2 secs Computing kpt #: 324 total cpu time spent up to now is 171.8 secs Computing kpt #: 325 total cpu time spent up to now is 172.3 secs Computing kpt #: 326 total cpu time spent up to now is 172.8 secs Computing kpt #: 327 total cpu time spent up to now is 173.3 secs Computing kpt #: 328 total cpu time spent up to now is 173.8 secs Computing kpt #: 329 total cpu time spent up to now is 174.3 secs Computing kpt #: 330 total cpu time spent up to now is 174.9 secs Computing kpt #: 331 total cpu time spent up to now is 175.4 secs Computing kpt #: 332 total cpu time spent up to now is 175.9 secs Computing kpt #: 333 total cpu time spent up to now is 176.4 secs Computing kpt #: 334 total cpu time spent up to now is 176.9 secs Computing kpt #: 335 total cpu time spent up to now is 177.5 secs Computing kpt #: 336 total cpu time spent up to now is 178.0 secs Computing kpt #: 337 total cpu time spent up to now is 178.5 secs Computing kpt #: 338 total cpu time spent up to now is 179.0 secs Computing kpt #: 339 total cpu time spent up to now is 179.6 secs Computing kpt #: 340 total cpu time spent up to now is 180.1 secs Computing kpt #: 341 total cpu time spent up to now is 180.6 secs Computing kpt #: 342 total cpu time spent up to now is 181.2 secs Computing kpt #: 343 total cpu time spent up to now is 181.7 secs Computing kpt #: 344 total cpu time spent up to now is 182.2 secs Computing kpt #: 345 total cpu time spent up to now is 182.8 secs Computing kpt #: 346 total cpu time spent up to now is 183.3 secs Computing kpt #: 347 total cpu time spent up to now is 183.9 secs Computing kpt #: 348 total cpu time spent up to now is 184.4 secs Computing kpt #: 349 total cpu time spent up to now is 185.0 secs Computing kpt #: 350 total cpu time spent up to now is 185.5 secs Computing kpt #: 351 total cpu time spent up to now is 186.1 secs Computing kpt #: 352 total cpu time spent up to now is 186.6 secs Computing kpt #: 353 total cpu time spent up to now is 187.2 secs Computing kpt #: 354 total cpu time spent up to now is 187.7 secs Computing kpt #: 355 total cpu time spent up to now is 188.3 secs Computing kpt #: 356 total cpu time spent up to now is 188.8 secs Computing kpt #: 357 total cpu time spent up to now is 189.3 secs Computing kpt #: 358 total cpu time spent up to now is 189.8 secs Computing kpt #: 359 total cpu time spent up to now is 190.3 secs Computing kpt #: 360 total cpu time spent up to now is 190.8 secs Computing kpt #: 361 total cpu time spent up to now is 191.3 secs Computing kpt #: 362 total cpu time spent up to now is 191.7 secs Computing kpt #: 363 total cpu time spent up to now is 192.2 secs Computing kpt #: 364 total cpu time spent up to now is 192.7 secs Computing kpt #: 365 total cpu time spent up to now is 193.2 secs Computing kpt #: 366 total cpu time spent up to now is 193.7 secs Computing kpt #: 367 total cpu time spent up to now is 194.2 secs Computing kpt #: 368 total cpu time spent up to now is 194.7 secs Computing kpt #: 369 total cpu time spent up to now is 195.2 secs Computing kpt #: 370 total cpu time spent up to now is 195.7 secs Computing kpt #: 371 total cpu time spent up to now is 196.2 secs Computing kpt #: 372 total cpu time spent up to now is 196.6 secs Computing kpt #: 373 total cpu time spent up to now is 197.1 secs Computing kpt #: 374 total cpu time spent up to now is 197.6 secs Computing kpt #: 375 total cpu time spent up to now is 198.0 secs Computing kpt #: 376 total cpu time spent up to now is 198.5 secs Computing kpt #: 377 total cpu time spent up to now is 199.0 secs Computing kpt #: 378 total cpu time spent up to now is 199.4 secs Computing kpt #: 379 total cpu time spent up to now is 199.9 secs Computing kpt #: 380 total cpu time spent up to now is 200.4 secs Computing kpt #: 381 total cpu time spent up to now is 200.8 secs Computing kpt #: 382 total cpu time spent up to now is 201.3 secs Computing kpt #: 383 total cpu time spent up to now is 201.7 secs Computing kpt #: 384 total cpu time spent up to now is 202.2 secs ethr = 3.13E-08, avg # of iterations = 11.7 total cpu time spent up to now is 202.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9797 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2377 -4.2377 -2.6454 -2.6454 2.1272 2.1272 3.7197 3.7197 4.0632 4.0632 4.0736 4.0736 5.0920 5.0920 5.3094 5.3094 5.3124 5.3124 6.8183 6.8183 6.8693 6.8693 7.5933 7.5933 7.6300 7.6300 7.9488 7.9488 8.7225 8.7225 9.1033 9.1033 10.4914 10.4914 10.4932 10.4932 k = 0.0000 0.0116-0.0000 ( 9803 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2367 -4.2367 -2.6452 -2.6452 2.1285 2.1285 3.7204 3.7204 4.0629 4.0629 4.0734 4.0734 5.0926 5.0926 5.3057 5.3057 5.3112 5.3112 6.8184 6.8184 6.8706 6.8706 7.5919 7.5919 7.6286 7.6286 7.9478 7.9478 8.7224 8.7224 9.1045 9.1045 10.4822 10.4822 10.4922 10.4922 k = 0.0000 0.0233-0.0000 ( 9791 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2340 -4.2340 -2.6446 -2.6446 2.1324 2.1324 3.7223 3.7223 4.0612 4.0612 4.0736 4.0736 5.0943 5.0943 5.2919 5.2919 5.3105 5.3105 6.8186 6.8186 6.8743 6.8743 7.5877 7.5877 7.6244 7.6244 7.9448 7.9448 8.7221 8.7221 9.1079 9.1079 10.4531 10.4531 10.4916 10.4916 k = 0.0000 0.0349-0.0000 ( 9795 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2293 -4.2293 -2.6437 -2.6437 2.1387 2.1387 3.7256 3.7256 4.0571 4.0571 4.0753 4.0753 5.0972 5.0972 5.2688 5.2688 5.3098 5.3098 6.8190 6.8190 6.8801 6.8801 7.5806 7.5806 7.6179 7.6179 7.9397 7.9397 8.7216 8.7216 9.1134 9.1134 10.4069 10.4069 10.4908 10.4908 k = 0.0000 0.0465-0.0000 ( 9783 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2229 -4.2229 -2.6424 -2.6424 2.1476 2.1476 3.7301 3.7301 4.0503 4.0503 4.0787 4.0787 5.1012 5.1012 5.2371 5.2371 5.3089 5.3089 6.8197 6.8197 6.8875 6.8875 7.5704 7.5704 7.6095 7.6095 7.9326 7.9326 8.7210 8.7210 9.1204 9.1204 10.3464 10.3464 10.4895 10.4895 k = 0.0000 0.0581-0.0000 ( 9791 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2146 -4.2146 -2.6408 -2.6408 2.1591 2.1591 3.7359 3.7359 4.0411 4.0411 4.0836 4.0836 5.1062 5.1062 5.1977 5.1977 5.3077 5.3077 6.8208 6.8208 6.8961 6.8961 7.5572 7.5572 7.5996 7.5996 7.9235 7.9235 8.7203 8.7203 9.1282 9.1282 10.2748 10.2748 10.4879 10.4879 k = 0.0000 0.0698-0.0000 ( 9793 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2045 -4.2045 -2.6389 -2.6389 2.1730 2.1730 3.7427 3.7427 4.0297 4.0297 4.0898 4.0898 5.1116 5.1116 5.1519 5.1519 5.3061 5.3061 6.8222 6.8222 6.9052 6.9052 7.5414 7.5414 7.5884 7.5884 7.9124 7.9124 8.7196 8.7196 9.1363 9.1363 10.1948 10.1948 10.4858 10.4858 k = 0.0000 0.0814-0.0000 ( 9777 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1925 -4.1925 -2.6367 -2.6367 2.1895 2.1895 3.7506 3.7506 4.0162 4.0162 4.0972 4.0972 5.0942 5.0942 5.1237 5.1237 5.3043 5.3043 6.8239 6.8239 6.9143 6.9143 7.5235 7.5235 7.5759 7.5759 7.8993 7.8993 8.7191 8.7191 9.1439 9.1439 10.1088 10.1088 10.4833 10.4833 k = 0.0000 0.0930-0.0000 ( 9779 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1788 -4.1788 -2.6343 -2.6343 2.2084 2.2084 3.7595 3.7595 4.0007 4.0007 4.1057 4.1057 5.0375 5.0375 5.1306 5.1306 5.3021 5.3021 6.8259 6.8259 6.9229 6.9229 7.5043 7.5043 7.5620 7.5620 7.8842 7.8842 8.7188 8.7188 9.1502 9.1502 10.0187 10.0187 10.4803 10.4803 k = 0.0000 0.1047-0.0000 ( 9773 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1634 -4.1634 -2.6317 -2.6317 2.2298 2.2298 3.7691 3.7691 3.9832 3.9832 4.1154 4.1154 4.9747 4.9747 5.1403 5.1403 5.2996 5.2996 6.8282 6.8282 6.9305 6.9305 7.4842 7.4842 7.5465 7.5465 7.8671 7.8671 8.7189 8.7189 9.1545 9.1545 9.9263 9.9263 10.4768 10.4768 k = 0.0000 0.1163-0.0000 ( 9783 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1462 -4.1462 -2.6289 -2.6289 2.2537 2.2537 3.7793 3.7793 3.9639 3.9639 4.1261 4.1261 4.9080 4.9080 5.1514 5.1514 5.2967 5.2967 6.8306 6.8306 6.9367 6.9367 7.4640 7.4640 7.5294 7.5294 7.8481 7.8481 8.7195 8.7195 9.1561 9.1561 9.8327 9.8327 10.4726 10.4726 k = 0.0000 0.1279-0.0000 ( 9779 PWs) bands (ev): -37.7801 -37.7801 -37.7786 -37.7786 -4.1273 -4.1273 -2.6261 -2.6261 2.2799 2.2799 3.7898 3.7898 3.9428 3.9428 4.1379 4.1379 4.8385 4.8385 5.1637 5.1637 5.2933 5.2933 6.8331 6.8331 6.9411 6.9411 7.4440 7.4440 7.5107 7.5107 7.8273 7.8273 8.7207 8.7207 9.1545 9.1545 9.7388 9.7388 10.4677 10.4677 k = 0.0000 0.1395-0.0000 ( 9779 PWs) bands (ev): -37.7801 -37.7801 -37.7785 -37.7785 -4.1067 -4.1067 -2.6233 -2.6233 2.3084 2.3084 3.8003 3.8003 3.9201 3.9201 4.1507 4.1507 4.7672 4.7672 5.1772 5.1772 5.2896 5.2896 6.8355 6.8355 6.9435 6.9435 7.4248 7.4248 7.4903 7.4903 7.8045 7.8045 8.7228 8.7228 9.1492 9.1492 9.6456 9.6456 10.4622 10.4622 k = 0.0000 0.1512-0.0000 ( 9779 PWs) bands (ev): -37.7800 -37.7800 -37.7785 -37.7785 -4.0845 -4.0845 -2.6206 -2.6206 2.3393 2.3393 3.8102 3.8102 3.8958 3.8958 4.1644 4.1644 4.6951 4.6951 5.1919 5.1919 5.2854 5.2854 6.8378 6.8378 6.9438 6.9438 7.4065 7.4065 7.4682 7.4682 7.7799 7.7799 8.7258 8.7258 9.1397 9.1397 9.5536 9.5536 10.4558 10.4558 k = 0.0000 0.1628-0.0000 ( 9781 PWs) bands (ev): -37.7800 -37.7800 -37.7785 -37.7785 -4.0607 -4.0607 -2.6180 -2.6180 2.3724 2.3724 3.8190 3.8190 3.8703 3.8703 4.1791 4.1791 4.6233 4.6233 5.2077 5.2077 5.2808 5.2808 6.8398 6.8398 6.9420 6.9420 7.3893 7.3893 7.4443 7.4443 7.7535 7.7535 8.7298 8.7298 9.1257 9.1257 9.4634 9.4634 10.4485 10.4485 k = 0.0000 0.1744-0.0000 ( 9783 PWs) bands (ev): -37.7799 -37.7799 -37.7785 -37.7785 -4.0353 -4.0353 -2.6156 -2.6156 2.4078 2.4078 3.8246 3.8246 3.8447 3.8447 4.1947 4.1947 4.5531 4.5531 5.2244 5.2244 5.2760 5.2760 6.8412 6.8412 6.9382 6.9382 7.3732 7.3732 7.4188 7.4188 7.7255 7.7255 8.7351 8.7351 9.1071 9.1071 9.3753 9.3753 10.4402 10.4402 k = 0.0000 0.1860-0.0000 ( 9769 PWs) bands (ev): -37.7799 -37.7799 -37.7785 -37.7785 -4.0084 -4.0084 -2.6135 -2.6135 2.4453 2.4453 3.8112 3.8112 3.8339 3.8339 4.2112 4.2112 4.4860 4.4860 5.2409 5.2409 5.2720 5.2720 6.8418 6.8418 6.9328 6.9328 7.3581 7.3581 7.3916 7.3916 7.6958 7.6958 8.7416 8.7416 9.0838 9.0838 9.2896 9.2896 10.4309 10.4309 k = 0.0000 0.1977-0.0000 ( 9779 PWs) bands (ev): -37.7798 -37.7798 -37.7785 -37.7785 -3.9800 -3.9800 -2.6118 -2.6118 2.4848 2.4848 3.7829 3.7829 3.8326 3.8326 4.2284 4.2284 4.4238 4.4238 5.2515 5.2515 5.2746 5.2746 6.8412 6.8412 6.9263 6.9263 7.3436 7.3436 7.3630 7.3630 7.6647 7.6647 8.7495 8.7495 9.0559 9.0559 9.2067 9.2067 10.4204 10.4204 k = 0.0000 0.2093-0.0000 ( 9781 PWs) bands (ev): -37.7798 -37.7798 -37.7785 -37.7785 -3.9503 -3.9503 -2.6106 -2.6106 2.5263 2.5263 3.7525 3.7525 3.8262 3.8262 4.2462 4.2462 4.3687 4.3687 5.2496 5.2496 5.2903 5.2903 6.8387 6.8387 6.9196 6.9196 7.3266 7.3266 7.3360 7.3360 7.6321 7.6321 8.7589 8.7589 9.0236 9.0236 9.1268 9.1268 10.4086 10.4086 k = 0.0000 0.2209-0.0000 ( 9781 PWs) bands (ev): -37.7797 -37.7797 -37.7784 -37.7784 -3.9191 -3.9191 -2.6099 -2.6099 2.5696 2.5696 3.7212 3.7212 3.8120 3.8120 4.2642 4.2642 4.3234 4.3234 5.2429 5.2429 5.3114 5.3114 6.8340 6.8340 6.9133 6.9133 7.2977 7.2977 7.3196 7.3196 7.5983 7.5983 8.7695 8.7695 8.9874 8.9874 9.0501 9.0501 10.3955 10.3955 k = 0.0000 0.2326-0.0000 ( 9785 PWs) bands (ev): -37.7797 -37.7797 -37.7784 -37.7784 -3.8867 -3.8867 -2.6100 -2.6100 2.6147 2.6147 3.6893 3.6893 3.7884 3.7884 4.2759 4.2759 4.2959 4.2959 5.2346 5.2346 5.3346 5.3346 6.8265 6.8265 6.9081 6.9081 7.2644 7.2644 7.3062 7.3062 7.5635 7.5635 8.7812 8.7812 8.9478 8.9478 8.9769 8.9769 10.3810 10.3810 k = 0.0000 0.2442-0.0000 ( 9765 PWs) bands (ev): -37.7796 -37.7796 -37.7784 -37.7784 -3.8531 -3.8531 -2.6108 -2.6108 2.6613 2.6613 3.6570 3.6570 3.7552 3.7552 4.2598 4.2598 4.3080 4.3080 5.2253 5.2253 5.3594 5.3594 6.8164 6.8164 6.9041 6.9041 7.2292 7.2292 7.2929 7.2929 7.5277 7.5277 8.7924 8.7924 8.9062 8.9062 8.9081 8.9081 10.3649 10.3649 k = 0.0000 0.2558-0.0000 ( 9767 PWs) bands (ev): -37.7796 -37.7796 -37.7784 -37.7784 -3.8182 -3.8182 -2.6126 -2.6126 2.7093 2.7093 3.6246 3.6246 3.7134 3.7134 4.2466 4.2466 4.3280 4.3280 5.2150 5.2150 5.3856 5.3856 6.8039 6.8039 6.9013 6.9013 7.1926 7.1926 7.2793 7.2793 7.4912 7.4912 8.7952 8.7952 8.8467 8.8467 8.8680 8.8680 10.3472 10.3472 k = 0.0000 0.2674-0.0000 ( 9770 PWs) bands (ev): -37.7795 -37.7795 -37.7784 -37.7784 -3.7823 -3.7823 -2.6153 -2.6153 2.7583 2.7583 3.5924 3.5924 3.6652 3.6652 4.2410 4.2410 4.3492 4.3492 5.2040 5.2040 5.4132 5.4132 6.7897 6.7897 6.8990 6.8990 7.1548 7.1548 7.2650 7.2650 7.4541 7.4541 8.7612 8.7612 8.8000 8.8000 8.8553 8.8553 10.3278 10.3278 k = 0.0000 0.2791-0.0000 ( 9766 PWs) bands (ev): -37.7795 -37.7795 -37.7784 -37.7784 -3.7454 -3.7454 -2.6191 -2.6191 2.8081 2.8081 3.5609 3.5609 3.6129 3.6129 4.2412 4.2412 4.3711 4.3711 5.1921 5.1921 5.4421 5.4421 6.7744 6.7744 6.8969 6.8969 7.1158 7.1158 7.2499 7.2499 7.4169 7.4169 8.7058 8.7058 8.7534 8.7534 8.8680 8.8680 10.3066 10.3066 k = 0.0000 0.2907-0.0000 ( 9776 PWs) bands (ev): -37.7794 -37.7794 -37.7784 -37.7784 -3.7076 -3.7076 -2.6241 -2.6241 2.8580 2.8580 3.5303 3.5303 3.5588 3.5588 4.2453 4.2453 4.3935 4.3935 5.1794 5.1794 5.4723 5.4723 6.7583 6.7583 6.8944 6.8944 7.0759 7.0759 7.2339 7.2339 7.3796 7.3796 8.6498 8.6498 8.7045 8.7045 8.8882 8.8882 10.2836 10.2836 k = 0.0000 0.3023-0.0000 ( 9788 PWs) bands (ev): -37.7793 -37.7793 -37.7784 -37.7784 -3.6690 -3.6690 -2.6304 -2.6304 2.9075 2.9075 3.4980 3.4980 3.5078 3.5078 4.2516 4.2516 4.4164 4.4164 5.1659 5.1659 5.5038 5.5038 6.7418 6.7418 6.8910 6.8910 7.0356 7.0356 7.2168 7.2168 7.3426 7.3426 8.5963 8.5963 8.6551 8.6551 8.9118 8.9118 10.2586 10.2586 k = 0.0000 0.3140-0.0000 ( 9792 PWs) bands (ev): -37.7793 -37.7793 -37.7784 -37.7784 -3.6295 -3.6295 -2.6382 -2.6382 2.9555 2.9555 3.4474 3.4474 3.4789 3.4789 4.2589 4.2589 4.4397 4.4397 5.1516 5.1516 5.5366 5.5366 6.7253 6.7253 6.8858 6.8858 6.9955 6.9955 7.1988 7.1988 7.3063 7.3063 8.5458 8.5458 8.6061 8.6061 8.9381 8.9381 10.2317 10.2317 k = 0.0000 0.3256-0.0000 ( 9780 PWs) bands (ev): -37.7792 -37.7792 -37.7784 -37.7784 -3.5895 -3.5895 -2.6473 -2.6473 3.0005 3.0005 3.3948 3.3948 3.4582 3.4582 4.2661 4.2661 4.4634 4.4634 5.1365 5.1365 5.5706 5.5706 6.7089 6.7089 6.8769 6.8769 6.9574 6.9574 7.1798 7.1798 7.2709 7.2709 8.4984 8.4984 8.5584 8.5584 8.9665 8.9665 10.2029 10.2029 k = 0.0000 0.3372-0.0000 ( 9792 PWs) bands (ev): -37.7792 -37.7792 -37.7784 -37.7784 -3.5489 -3.5489 -2.6581 -2.6581 3.0401 3.0401 3.3441 3.3441 3.4448 3.4448 4.2725 4.2725 4.4873 4.4873 5.1207 5.1207 5.6058 5.6058 6.6928 6.6928 6.8604 6.8604 6.9253 6.9253 7.1599 7.1599 7.2371 7.2371 8.4543 8.4543 8.5124 8.5124 8.9971 8.9971 10.1721 10.1721 k = 0.0000 0.3488-0.0000 ( 9800 PWs) bands (ev): -37.7791 -37.7791 -37.7784 -37.7784 -3.5079 -3.5079 -2.6705 -2.6705 3.0716 3.0716 3.2959 3.2959 3.4414 3.4414 4.2773 4.2773 4.5116 4.5116 5.1041 5.1041 5.6423 5.6423 6.6770 6.6770 6.8319 6.8319 6.9033 6.9033 7.1393 7.1393 7.2051 7.2051 8.4135 8.4135 8.4686 8.4686 9.0296 9.0296 10.1393 10.1393 k = 0.0000 0.3605-0.0000 ( 9786 PWs) bands (ev): -37.7791 -37.7791 -37.7783 -37.7783 -3.4665 -3.4665 -2.6845 -2.6845 3.0922 3.0922 3.2508 3.2508 3.4505 3.4505 4.2800 4.2800 4.5361 4.5361 5.0867 5.0867 5.6799 5.6799 6.6614 6.6614 6.7947 6.7947 6.8884 6.8884 7.1182 7.1182 7.1754 7.1754 8.3759 8.3759 8.4274 8.4274 9.0640 9.0640 10.1047 10.1047 k = 0.0000 0.3721-0.0000 ( 9782 PWs) bands (ev): -37.7790 -37.7790 -37.7783 -37.7783 -3.4250 -3.4250 -2.7003 -2.7003 3.1012 3.1012 3.2090 3.2090 3.4731 3.4731 4.2799 4.2799 4.5607 4.5607 5.0687 5.0687 5.7186 5.7186 6.6457 6.6457 6.7544 6.7544 6.8755 6.8755 7.0972 7.0972 7.1484 7.1484 8.3417 8.3417 8.3890 8.3890 9.1001 9.1001 10.0682 10.0682 k = 0.0000 0.3837-0.0000 ( 9790 PWs) bands (ev): -37.7790 -37.7790 -37.7784 -37.7784 -3.3833 -3.3833 -2.7179 -2.7179 3.1000 3.1000 3.1708 3.1708 3.5075 3.5075 4.2767 4.2767 4.5855 4.5855 5.0500 5.0500 5.7584 5.7584 6.6283 6.6283 6.7151 6.7151 6.8620 6.8620 7.0770 7.0770 7.1240 7.1240 8.3107 8.3107 8.3537 8.3537 9.1380 9.1380 10.0299 10.0299 k = 0.0000 0.3953-0.0000 ( 9790 PWs) bands (ev): -37.7789 -37.7789 -37.7784 -37.7784 -3.3417 -3.3417 -2.7373 -2.7373 3.0917 3.0917 3.1364 3.1364 3.5507 3.5507 4.2698 4.2698 4.6104 4.6104 5.0306 5.0306 5.7993 5.7993 6.6058 6.6058 6.6813 6.6813 6.8469 6.8469 7.0584 7.0584 7.1022 7.1022 8.2829 8.2829 8.3216 8.3216 9.1774 9.1774 9.9901 9.9901 k = 0.0000 0.4070-0.0000 ( 9786 PWs) bands (ev): -37.7789 -37.7789 -37.7784 -37.7784 -3.3002 -3.3002 -2.7585 -2.7585 3.0793 3.0793 3.1058 3.1058 3.5996 3.5996 4.2590 4.2590 4.6354 4.6354 5.0106 5.0106 5.8411 5.8411 6.5743 6.5743 6.6578 6.6578 6.8298 6.8298 7.0419 7.0419 7.0827 7.0827 8.2585 8.2585 8.2927 8.2927 9.2183 9.2183 9.9487 9.9487 k = 0.0000 0.4186-0.0000 ( 9780 PWs) bands (ev): -37.7788 -37.7788 -37.7784 -37.7784 -3.2590 -3.2590 -2.7815 -2.7815 3.0647 3.0647 3.0793 3.0793 3.6520 3.6520 4.2441 4.2441 4.6603 4.6603 4.9900 4.9900 5.8839 5.8839 6.5345 6.5345 6.6444 6.6444 6.8109 6.8109 7.0282 7.0282 7.0653 7.0653 8.2372 8.2372 8.2671 8.2671 9.2606 9.2606 9.9059 9.9059 k = 0.0000 0.4302-0.0000 ( 9788 PWs) bands (ev): -37.7788 -37.7788 -37.7784 -37.7784 -3.2182 -3.2182 -2.8062 -2.8062 3.0493 3.0493 3.0571 3.0571 3.7063 3.7063 4.2247 4.2247 4.6853 4.6853 4.9688 4.9688 5.9276 5.9276 6.4903 6.4903 6.6376 6.6376 6.7906 6.7906 7.0171 7.0171 7.0500 7.0500 8.2192 8.2192 8.2447 8.2447 9.3041 9.3041 9.8619 9.8619 k = 0.0000 0.4419-0.0000 ( 9786 PWs) bands (ev): -37.7787 -37.7787 -37.7784 -37.7784 -3.1780 -3.1780 -2.8328 -2.8328 3.0338 3.0338 3.0396 3.0396 3.7612 3.7612 4.2009 4.2009 4.7102 4.7102 4.9472 4.9472 5.9722 5.9722 6.4439 6.4439 6.6354 6.6354 6.7695 6.7695 7.0087 7.0087 7.0367 7.0367 8.2043 8.2043 8.2256 8.2256 9.3486 9.3486 9.8168 9.8168 k = 0.0000 0.4535-0.0000 ( 9792 PWs) bands (ev): -37.7787 -37.7787 -37.7784 -37.7784 -3.1385 -3.1385 -2.8610 -2.8610 3.0199 3.0199 3.0257 3.0257 3.8159 3.8159 4.1727 4.1727 4.7350 4.7350 4.9250 4.9250 6.0174 6.0174 6.3965 6.3965 6.6369 6.6369 6.7483 6.7483 7.0026 7.0026 7.0254 7.0254 8.1926 8.1926 8.2096 8.2096 9.3941 9.3941 9.7709 9.7709 k = 0.0000 0.4651-0.0000 ( 9786 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0997 -3.0997 -2.8909 -2.8909 3.0091 3.0091 3.0146 3.0146 3.8696 3.8696 4.1401 4.1401 4.7596 4.7596 4.9024 4.9024 6.0634 6.0634 6.3486 6.3486 6.6417 6.6417 6.7277 6.7277 6.9987 6.9987 7.0160 7.0160 8.1840 8.1840 8.1967 8.1967 9.4403 9.4403 9.7242 9.7242 k = 0.0000 0.4767-0.0000 ( 9784 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0619 -3.0619 -2.9223 -2.9223 3.0017 3.0017 3.0060 3.0060 3.9216 3.9216 4.1034 4.1034 4.7841 4.7841 4.8794 4.8794 6.1100 6.1100 6.3005 6.3005 6.6497 6.6497 6.7081 6.7081 6.9969 6.9969 7.0084 7.0084 8.1785 8.1785 8.1870 8.1870 9.4872 9.4872 9.6771 9.6771 k = 0.0000 0.4884-0.0000 ( 9806 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0251 -3.0251 -2.9552 -2.9552 2.9979 2.9979 3.0002 3.0002 3.9715 3.9715 4.0629 4.0629 4.8083 4.8083 4.8560 4.8560 6.1571 6.1571 6.2525 6.2525 6.6606 6.6606 6.6902 6.6902 6.9970 6.9970 7.0028 7.0028 8.1761 8.1761 8.1803 8.1803 9.5345 9.5345 9.6296 9.6296 k = 0.0000 0.5000-0.0000 ( 9806 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9895 -2.9895 -2.9895 -2.9895 2.9974 2.9974 2.9974 2.9974 4.0188 4.0188 4.0188 4.0188 4.8323 4.8323 4.8323 4.8323 6.2046 6.2046 6.2046 6.2046 6.6742 6.6742 6.6742 6.6742 6.9990 6.9990 6.9990 6.9990 8.1767 8.1767 8.1767 8.1767 9.5820 9.5820 9.5820 9.5820 k = 0.0000 0.5000-0.0000 ( 9806 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9895 -2.9895 -2.9895 -2.9895 2.9974 2.9974 2.9974 2.9974 4.0188 4.0188 4.0188 4.0188 4.8323 4.8323 4.8323 4.8323 6.2046 6.2046 6.2046 6.2046 6.6742 6.6742 6.6742 6.6742 6.9990 6.9990 6.9990 6.9990 8.1767 8.1767 8.1767 8.1767 9.5820 9.5820 9.5820 9.5820 k = 0.0116 0.5000-0.0000 ( 9806 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9888 -2.9888 -2.9886 -2.9886 2.9966 2.9966 2.9969 2.9969 4.0197 4.0197 4.0198 4.0198 4.8316 4.8316 4.8317 4.8317 6.1996 6.1996 6.2051 6.2051 6.6727 6.6727 6.6801 6.6801 6.9972 6.9972 6.9988 6.9988 8.1744 8.1744 8.1775 8.1775 9.5742 9.5742 9.5801 9.5801 k = 0.0233 0.5000-0.0000 ( 9788 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9866 -2.9866 -2.9861 -2.9861 2.9944 2.9944 2.9949 2.9949 4.0225 4.0225 4.0227 4.0227 4.8295 4.8295 4.8298 4.8298 6.1904 6.1904 6.2010 6.2010 6.6757 6.6757 6.6901 6.6901 6.9935 6.9935 6.9968 6.9968 8.1708 8.1708 8.1770 8.1770 9.5570 9.5570 9.5688 9.5688 k = 0.0349 0.5000-0.0000 ( 9780 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9827 -2.9827 -2.9820 -2.9820 2.9908 2.9908 2.9915 2.9915 4.0273 4.0273 4.0276 4.0276 4.8261 4.8261 4.8266 4.8266 6.1774 6.1774 6.1926 6.1926 6.6826 6.6826 6.7036 6.7036 6.9879 6.9879 6.9929 6.9929 8.1658 8.1658 8.1750 8.1750 9.5312 9.5312 9.5486 9.5486 k = 0.0465 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9773 -2.9773 -2.9763 -2.9763 2.9857 2.9857 2.9866 2.9866 4.0340 4.0340 4.0345 4.0345 4.8214 4.8214 4.8221 4.8221 6.1614 6.1614 6.1804 6.1804 6.6929 6.6929 6.7198 6.7198 6.9805 6.9805 6.9874 6.9874 8.1594 8.1594 8.1716 8.1716 9.4979 9.4979 9.5206 9.5206 k = 0.0581 0.5000-0.0000 ( 9770 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9703 -2.9703 -2.9691 -2.9691 2.9791 2.9791 2.9802 2.9802 4.0426 4.0426 4.0433 4.0433 4.8156 4.8156 4.8164 4.8164 6.1430 6.1430 6.1651 6.1651 6.7057 6.7057 6.7380 6.7380 6.9715 6.9715 6.9805 6.9805 8.1515 8.1515 8.1668 8.1668 9.4586 9.4586 9.4863 9.4863 k = 0.0698 0.5000-0.0000 ( 9774 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9617 -2.9617 -2.9603 -2.9603 2.9709 2.9709 2.9723 2.9723 4.0532 4.0532 4.0540 4.0540 4.8086 4.8086 4.8095 4.8095 6.1228 6.1228 6.1473 6.1473 6.7199 6.7199 6.7572 6.7572 6.9611 6.9611 6.9724 6.9724 8.1421 8.1421 8.1603 8.1603 9.4148 9.4148 9.4470 9.4470 k = 0.0814 0.5000-0.0000 ( 9774 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9517 -2.9517 -2.9500 -2.9500 2.9611 2.9611 2.9627 2.9627 4.0658 4.0658 4.0668 4.0668 4.8006 4.8006 4.8017 4.8017 6.1013 6.1013 6.1277 6.1277 6.7342 6.7342 6.7760 6.7760 6.9502 6.9502 6.9638 6.9638 8.1312 8.1312 8.1523 8.1523 9.3679 9.3679 9.4042 9.4042 k = 0.0930 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7785 -37.7785 -37.7784 -37.7784 -2.9401 -2.9401 -2.9383 -2.9383 2.9495 2.9495 2.9513 2.9513 4.0803 4.0803 4.0815 4.0815 4.7916 4.7916 4.7928 4.7928 6.0789 6.0789 6.1068 6.1068 6.7474 6.7474 6.7928 6.7928 6.9399 6.9399 6.9556 6.9556 8.1188 8.1188 8.1426 8.1426 9.3193 9.3193 9.3594 9.3594 k = 0.1047 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.9271 -2.9271 -2.9250 -2.9250 2.9362 2.9362 2.9382 2.9382 4.0968 4.0968 4.0982 4.0982 4.7819 4.7819 4.7832 4.7832 6.0560 6.0560 6.0850 6.0850 6.7575 6.7575 6.8047 6.8047 6.9329 6.9329 6.9490 6.9490 8.1049 8.1049 8.1313 8.1313 9.2703 9.2703 9.3137 9.3137 k = 0.1163 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.9126 -2.9126 -2.9104 -2.9104 2.9210 2.9210 2.9232 2.9232 4.1153 4.1153 4.1169 4.1169 4.7714 4.7714 4.7729 4.7729 6.0328 6.0328 6.0627 6.0627 6.7625 6.7625 6.8078 6.8078 6.9326 6.9326 6.9459 6.9459 8.0894 8.0894 8.1183 8.1183 9.2221 9.2221 9.2683 9.2683 k = 0.1279 0.5000-0.0000 ( 9760 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.8968 -2.8968 -2.8943 -2.8943 2.9039 2.9039 2.9062 2.9062 4.1357 4.1357 4.1376 4.1376 4.7605 4.7605 4.7621 4.7621 6.0097 6.0097 6.0401 6.0401 6.7606 6.7606 6.8003 6.8003 6.9406 6.9406 6.9475 6.9475 8.0725 8.0725 8.1035 8.1035 9.1754 9.1754 9.2241 9.2241 k = 0.1395 0.5000-0.0000 ( 9768 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.8797 -2.8797 -2.8770 -2.8770 2.8847 2.8847 2.8872 2.8872 4.1580 4.1580 4.1603 4.1603 4.7492 4.7492 4.7508 4.7508 5.9868 5.9868 6.0177 6.0177 6.7512 6.7512 6.7836 6.7836 6.9544 6.9544 6.9553 6.9553 8.0541 8.0541 8.0871 8.0871 9.1310 9.1310 9.1817 9.1817 k = 0.1512 0.5000-0.0000 ( 9752 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.8612 -2.8612 -2.8584 -2.8584 2.8636 2.8636 2.8662 2.8662 4.1822 4.1822 4.1848 4.1848 4.7377 4.7377 4.7394 4.7394 5.9643 5.9643 5.9955 5.9955 6.7350 6.7350 6.7607 6.7607 6.9657 6.9657 6.9738 6.9738 8.0343 8.0343 8.0690 8.0690 9.0895 9.0895 9.1417 9.1417 k = 0.1628 0.5000-0.0000 ( 9740 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.8416 -2.8416 -2.8386 -2.8386 2.8403 2.8403 2.8431 2.8431 4.2081 4.2081 4.2112 4.2112 4.7263 4.7263 4.7279 4.7279 5.9424 5.9424 5.9737 5.9737 6.7132 6.7132 6.7335 6.7335 6.9801 6.9801 6.9940 6.9940 8.0132 8.0132 8.0494 8.0494 9.0511 9.0511 9.1044 9.1044 k = 0.1744 0.5000-0.0000 ( 9756 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.8208 -2.8208 -2.8176 -2.8176 2.8150 2.8150 2.8179 2.8179 4.2357 4.2357 4.2393 4.2393 4.7151 4.7151 4.7167 4.7167 5.9211 5.9211 5.9525 5.9525 6.6871 6.6871 6.7031 6.7031 6.9962 6.9962 7.0147 7.0147 7.9910 7.9910 8.0284 8.0284 9.0161 9.0161 9.0701 9.0701 k = 0.1860 0.5000-0.0000 ( 9756 PWs) bands (ev): -37.7783 -37.7783 -37.7782 -37.7782 -2.7989 -2.7989 -2.7955 -2.7955 2.7876 2.7876 2.7907 2.7907 4.2648 4.2648 4.2689 4.2689 4.7043 4.7043 4.7058 4.7058 5.9006 5.9006 5.9320 5.9320 6.6577 6.6577 6.6704 6.6704 7.0130 7.0130 7.0352 7.0352 7.9678 7.9678 8.0061 8.0061 8.9845 8.9845 9.0388 9.0388 k = 0.1977 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7760 -2.7760 -2.7725 -2.7725 2.7582 2.7582 2.7614 2.7614 4.2952 4.2952 4.2999 4.2999 4.6944 4.6944 4.6956 4.6956 5.8810 5.8810 5.9123 5.9123 6.6258 6.6258 6.6356 6.6356 7.0300 7.0300 7.0551 7.0551 7.9437 7.9437 7.9826 7.9826 8.9564 8.9564 9.0106 9.0106 k = 0.2093 0.5000-0.0000 ( 9766 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7521 -2.7521 -2.7486 -2.7486 2.7269 2.7269 2.7302 2.7302 4.3265 4.3265 4.3320 4.3320 4.6856 4.6856 4.6865 4.6865 5.8623 5.8623 5.8935 5.8935 6.5917 6.5917 6.5994 6.5994 7.0465 7.0465 7.0741 7.0741 7.9188 7.9188 7.9582 7.9582 8.9316 8.9316 8.9853 8.9853 k = 0.2209 0.5000-0.0000 ( 9778 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7275 -2.7275 -2.7238 -2.7238 2.6938 2.6938 2.6971 2.6971 4.3583 4.3583 4.3647 4.3647 4.6785 4.6785 4.6789 4.6789 5.8447 5.8447 5.8757 5.8757 6.5561 6.5561 6.5620 6.5620 7.0623 7.0623 7.0918 7.0918 7.8934 7.8934 7.9329 7.9329 8.9098 8.9098 8.9628 8.9628 k = 0.2326 0.5000-0.0000 ( 9782 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.7021 -2.7021 -2.6983 -2.6983 2.6589 2.6589 2.6624 2.6624 4.3898 4.3898 4.3972 4.3972 4.6736 4.6736 4.6738 4.6738 5.8281 5.8281 5.8589 5.8589 6.5194 6.5194 6.5237 6.5237 7.0769 7.0769 7.1081 7.1081 7.8674 7.8674 7.9070 7.9070 8.8910 8.8910 8.9429 8.9429 k = 0.2442 0.5000-0.0000 ( 9782 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.6761 -2.6761 -2.6723 -2.6723 2.6225 2.6225 2.6260 2.6260 4.4200 4.4200 4.4285 4.4285 4.6717 4.6717 4.6727 4.6727 5.8127 5.8127 5.8432 5.8432 6.4817 6.4817 6.4847 6.4847 7.0902 7.0902 7.1227 7.1227 7.8412 7.8412 7.8806 7.8806 8.8749 8.8749 8.9255 8.9255 k = 0.2558 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.6496 -2.6496 -2.6457 -2.6457 2.5848 2.5848 2.5884 2.5884 4.4474 4.4474 4.4571 4.4571 4.6746 4.6746 4.6764 4.6764 5.7985 5.7985 5.8287 5.8287 6.4434 6.4434 6.4454 6.4454 7.1019 7.1019 7.1355 7.1355 7.8148 7.8148 7.8538 7.8538 8.8613 8.8613 8.9103 8.9103 k = 0.2674 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.6227 -2.6227 -2.6188 -2.6188 2.5459 2.5459 2.5495 2.5495 4.4702 4.4702 4.4808 4.4808 4.6843 4.6843 4.6867 4.6867 5.7856 5.7856 5.8153 5.8153 6.4048 6.4048 6.4058 6.4058 7.1120 7.1120 7.1463 7.1463 7.7884 7.7884 7.8269 7.8269 8.8498 8.8498 8.8972 8.8972 k = 0.2791 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.5955 -2.5955 -2.5916 -2.5916 2.5062 2.5062 2.5098 2.5098 4.4870 4.4870 4.4981 4.4981 4.7024 4.7024 4.7049 4.7049 5.7738 5.7738 5.8031 5.8031 6.3661 6.3661 6.3664 6.3664 7.1201 7.1201 7.1550 7.1550 7.7622 7.7622 7.8000 7.8000 8.8404 8.8404 8.8860 8.8860 k = 0.2907 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.5683 -2.5683 -2.5643 -2.5643 2.4658 2.4658 2.4694 2.4694 4.4978 4.4978 4.5088 4.5088 4.7290 4.7290 4.7311 4.7311 5.7634 5.7634 5.7922 5.7922 6.3271 6.3271 6.3275 6.3275 7.1261 7.1261 7.1612 7.1612 7.7365 7.7365 7.7734 7.7734 8.8328 8.8328 8.8764 8.8764 k = 0.3023 0.5000-0.0000 ( 9786 PWs) bands (ev): -37.7780 -37.7780 -37.7779 -37.7779 -2.5410 -2.5410 -2.5371 -2.5371 2.4251 2.4251 2.4287 2.4287 4.5034 4.5034 4.5139 4.5139 4.7627 4.7627 4.7641 4.7641 5.7542 5.7542 5.7825 5.7825 6.2882 6.2882 6.2891 6.2891 7.1299 7.1299 7.1650 7.1650 7.7113 7.7113 7.7471 7.7471 8.8267 8.8267 8.8683 8.8683 k = 0.3140 0.5000-0.0000 ( 9782 PWs) bands (ev): -37.7779 -37.7779 -37.7779 -37.7779 -2.5140 -2.5140 -2.5101 -2.5101 2.3843 2.3843 2.3879 2.3879 4.5054 4.5054 4.5152 4.5152 4.8018 4.8018 4.8022 4.8022 5.7463 5.7463 5.7741 5.7741 6.2497 6.2497 6.2510 6.2510 7.1314 7.1314 7.1660 7.1660 7.6872 7.6872 7.7216 7.7216 8.8222 8.8222 8.8616 8.8616 k = 0.3256 0.5000-0.0000 ( 9778 PWs) bands (ev): -37.7779 -37.7779 -37.7779 -37.7779 -2.4873 -2.4873 -2.4835 -2.4835 2.3438 2.3438 2.3474 2.3474 4.5051 4.5051 4.5142 4.5142 4.8440 4.8440 4.8446 4.8446 5.7396 5.7396 5.7668 5.7668 6.2119 6.2119 6.2135 6.2135 7.1304 7.1304 7.1642 7.1642 7.6642 7.6642 7.6969 7.6969 8.8188 8.8188 8.8560 8.8560 k = 0.3372 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7779 -37.7779 -37.7778 -37.7778 -2.4611 -2.4611 -2.4574 -2.4574 2.3039 2.3039 2.3074 2.3074 4.5034 4.5034 4.5118 4.5118 4.8883 4.8883 4.8898 4.8898 5.7342 5.7342 5.7608 5.7608 6.1747 6.1747 6.1765 6.1765 7.1268 7.1268 7.1594 7.1594 7.6427 7.6427 7.6735 7.6735 8.8166 8.8166 8.8515 8.8515 k = 0.3488 0.5000-0.0000 ( 9764 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.4356 -2.4356 -2.4321 -2.4321 2.2649 2.2649 2.2683 2.2683 4.5009 4.5009 4.5086 4.5086 4.9343 4.9343 4.9366 4.9366 5.7300 5.7300 5.7559 5.7559 6.1382 6.1382 6.1402 6.1402 7.1207 7.1207 7.1516 7.1516 7.6230 7.6230 7.6515 7.6515 8.8152 8.8152 8.8478 8.8478 k = 0.3605 0.5000-0.0000 ( 9764 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.4110 -2.4110 -2.4076 -2.4076 2.2271 2.2271 2.2304 2.2304 4.4980 4.4980 4.5051 4.5051 4.9813 4.9813 4.9844 4.9844 5.7269 5.7269 5.7522 5.7522 6.1026 6.1026 6.1046 6.1046 7.1120 7.1120 7.1410 7.1410 7.6052 7.6052 7.6313 7.6313 8.8147 8.8147 8.8449 8.8449 k = 0.3721 0.5000-0.0000 ( 9764 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.3875 -2.3875 -2.3842 -2.3842 2.1909 2.1909 2.1940 2.1940 4.4950 4.4950 4.5015 4.5015 5.0288 5.0288 5.0325 5.0325 5.7250 5.7250 5.7495 5.7495 6.0678 6.0678 6.0697 6.0697 7.1011 7.1011 7.1278 7.1278 7.5895 7.5895 7.6129 7.6129 8.8149 8.8149 8.8427 8.8427 k = 0.3837 0.5000-0.0000 ( 9764 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.3652 -2.3652 -2.3621 -2.3621 2.1566 2.1566 2.1596 2.1596 4.4920 4.4920 4.4980 4.4980 5.0762 5.0762 5.0806 5.0806 5.7241 5.7241 5.7477 5.7477 6.0339 6.0339 6.0357 6.0357 7.0881 7.0881 7.1123 7.1123 7.5758 7.5758 7.5965 7.5965 8.8156 8.8156 8.8409 8.8409 k = 0.3953 0.5000-0.0000 ( 9762 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3443 -2.3443 -2.3414 -2.3414 2.1245 2.1245 2.1272 2.1272 4.4892 4.4892 4.4946 4.4946 5.1231 5.1231 5.1280 5.1280 5.7240 5.7240 5.7469 5.7469 6.0010 6.0010 6.0025 6.0025 7.0735 7.0735 7.0951 7.0951 7.5642 7.5642 7.5820 7.5820 8.8167 8.8167 8.8396 8.8396 k = 0.4070 0.5000-0.0000 ( 9750 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3250 -2.3250 -2.3224 -2.3224 2.0949 2.0949 2.0974 2.0974 4.4866 4.4866 4.4914 4.4914 5.1689 5.1689 5.1744 5.1744 5.7249 5.7249 5.7469 5.7469 5.9691 5.9691 5.9702 5.9702 7.0578 7.0578 7.0768 7.0768 7.5544 7.5544 7.5696 7.5696 8.8182 8.8182 8.8385 8.8385 k = 0.4186 0.5000-0.0000 ( 9740 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3075 -2.3075 -2.3051 -2.3051 2.0680 2.0680 2.0703 2.0703 4.4843 4.4843 4.4885 4.4885 5.2132 5.2132 5.2190 5.2190 5.7265 5.7265 5.7476 5.7476 5.9384 5.9384 5.9389 5.9389 7.0417 7.0417 7.0581 7.0581 7.5464 7.5464 7.5590 7.5590 8.8199 8.8199 8.8377 8.8377 k = 0.4302 0.5000-0.0000 ( 9736 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2919 -2.2919 -2.2898 -2.2898 2.0442 2.0442 2.0462 2.0462 4.4823 4.4823 4.4859 4.4859 5.2552 5.2552 5.2613 5.2613 5.7287 5.7287 5.7488 5.7488 5.9087 5.9087 5.9091 5.9091 7.0259 7.0259 7.0397 7.0397 7.5399 7.5399 7.5502 7.5502 8.8217 8.8217 8.8370 8.8370 k = 0.4419 0.5000-0.0000 ( 9736 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.2784 -2.2784 -2.2766 -2.2766 2.0237 2.0237 2.0254 2.0254 4.4807 4.4807 4.4837 4.4837 5.2943 5.2943 5.3003 5.3003 5.7315 5.7315 5.7507 5.7507 5.8800 5.8800 5.8814 5.8814 7.0111 7.0111 7.0224 7.0224 7.5348 7.5348 7.5430 7.5430 8.8236 8.8236 8.8363 8.8363 k = 0.4535 0.5000-0.0000 ( 9748 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2671 -2.2671 -2.2657 -2.2657 2.0066 2.0066 2.0080 2.0080 4.4793 4.4793 4.4818 4.4818 5.3294 5.3294 5.3352 5.3352 5.7350 5.7350 5.7530 5.7530 5.8531 5.8531 5.8559 5.8559 6.9979 6.9979 7.0069 7.0069 7.5309 7.5309 7.5372 7.5372 8.8254 8.8254 8.8356 8.8356 k = 0.4651 0.5000-0.0000 ( 9760 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2582 -2.2582 -2.2571 -2.2571 1.9932 1.9932 1.9942 1.9942 4.4784 4.4784 4.4802 4.4802 5.3595 5.3595 5.3646 5.3646 5.7392 5.7392 5.7558 5.7558 5.8288 5.8288 5.8331 5.8331 6.9872 6.9872 6.9938 6.9938 7.5281 7.5281 7.5327 7.5327 8.8272 8.8272 8.8349 8.8349 k = 0.4767 0.5000-0.0000 ( 9772 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2517 -2.2517 -2.2510 -2.2510 1.9836 1.9836 1.9843 1.9843 4.4778 4.4778 4.4790 4.4790 5.3832 5.3832 5.3870 5.3870 5.7445 5.7445 5.7587 5.7587 5.8084 5.8084 5.8140 5.8140 6.9794 6.9794 6.9838 6.9838 7.5264 7.5264 7.5294 7.5294 8.8289 8.8289 8.8340 8.8340 k = 0.4884 0.5000-0.0000 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2477 -2.2477 -2.2473 -2.2473 1.9778 1.9778 1.9782 1.9782 4.4775 4.4775 4.4781 4.4781 5.3987 5.3987 5.4008 5.4008 5.7509 5.7509 5.7605 5.7605 5.7943 5.7943 5.7994 5.7994 6.9750 6.9750 6.9771 6.9771 7.5257 7.5257 7.5271 7.5271 8.8304 8.8304 8.8330 8.8330 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2462 -2.2462 -2.2462 -2.2462 1.9760 1.9760 1.9760 1.9760 4.4776 4.4776 4.4776 4.4776 5.4048 5.4048 5.4048 5.4048 5.7576 5.7576 5.7576 5.7576 5.7914 5.7914 5.7914 5.7914 6.9742 6.9742 6.9742 6.9742 7.5259 7.5259 7.5259 7.5259 8.8318 8.8318 8.8318 8.8318 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2462 -2.2462 -2.2462 -2.2462 1.9760 1.9760 1.9760 1.9760 4.4776 4.4776 4.4776 4.4776 5.4048 5.4048 5.4048 5.4048 5.7576 5.7576 5.7576 5.7576 5.7914 5.7914 5.7914 5.7914 6.9742 6.9742 6.9742 6.9742 7.5259 7.5259 7.5259 7.5259 8.8318 8.8318 8.8318 8.8318 k = 0.4918 0.4918-0.0000 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2484 -2.2484 -2.2465 -2.2465 1.9774 1.9774 1.9785 1.9785 4.4774 4.4774 4.4782 4.4782 5.3953 5.3953 5.4044 5.4044 5.7511 5.7511 5.7606 5.7606 5.7914 5.7914 5.8019 5.8019 6.9740 6.9740 6.9781 6.9781 7.5254 7.5254 7.5274 7.5274 8.8304 8.8304 8.8330 8.8330 k = 0.4836 0.4836-0.0000 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2549 -2.2549 -2.2476 -2.2476 1.9818 1.9818 1.9860 1.9860 4.4770 4.4770 4.4797 4.4797 5.3688 5.3688 5.4025 5.4025 5.7454 5.7454 5.7591 5.7591 5.7946 5.7946 5.8253 5.8253 6.9746 6.9746 6.9887 6.9887 7.5246 7.5246 7.5311 7.5311 8.8288 8.8288 8.8340 8.8340 k = 0.4754 0.4754-0.0000 ( 9760 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2658 -2.2658 -2.2494 -2.2494 1.9890 1.9890 1.9983 1.9983 4.4764 4.4764 4.4821 4.4821 5.3289 5.3289 5.3993 5.3993 5.7409 5.7409 5.7556 5.7556 5.7999 5.7999 5.8563 5.8563 6.9755 6.9755 7.0060 7.0060 7.5234 7.5234 7.5371 7.5371 8.8270 8.8270 8.8350 8.8350 k = 0.4672 0.4672-0.0000 ( 9750 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.2808 -2.2808 -2.2519 -2.2519 1.9991 1.9991 2.0154 2.0154 4.4755 4.4755 4.4853 4.4853 5.2794 5.2794 5.3943 5.3943 5.7365 5.7365 5.7521 5.7521 5.8074 5.8074 5.8915 5.8915 6.9768 6.9768 7.0297 7.0297 7.5217 7.5217 7.5455 7.5455 8.8250 8.8250 8.8358 8.8358 k = 0.4590 0.4590-0.0000 ( 9742 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.2998 -2.2998 -2.2550 -2.2550 2.0121 2.0121 2.0371 2.0371 4.4744 4.4744 4.4894 4.4894 5.2229 5.2229 5.3871 5.3871 5.7315 5.7315 5.7499 5.7499 5.8171 5.8171 5.9286 5.9286 6.9786 6.9786 7.0592 7.0592 7.5196 7.5196 7.5563 7.5563 8.8226 8.8226 8.8367 8.8367 k = 0.4508 0.4508-0.0000 ( 9734 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.3226 -2.3226 -2.2588 -2.2588 2.0279 2.0279 2.0631 2.0631 4.4730 4.4730 4.4942 4.4942 5.1613 5.1613 5.3774 5.3774 5.7264 5.7264 5.7488 5.7488 5.8290 5.8290 5.9665 5.9665 6.9808 6.9808 7.0940 7.0940 7.5170 7.5170 7.5694 7.5694 8.8200 8.8200 8.8374 8.8374 k = 0.4426 0.4426-0.0000 ( 9740 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3492 -2.3492 -2.2633 -2.2633 2.0466 2.0466 2.0932 2.0932 4.4713 4.4713 4.4997 4.4997 5.0956 5.0956 5.3648 5.3648 5.7224 5.7224 5.7483 5.7483 5.8430 5.8430 6.0044 6.0044 6.9836 6.9836 7.1335 7.1335 7.5139 7.5139 7.5848 7.5848 8.8170 8.8170 8.8382 8.8382 k = 0.4344 0.4344-0.0000 ( 9744 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3791 -2.3791 -2.2684 -2.2684 2.0682 2.0682 2.1272 2.1272 4.4693 4.4693 4.5056 4.5056 5.0266 5.0266 5.3492 5.3492 5.7204 5.7204 5.7482 5.7482 5.8592 5.8592 6.0420 6.0420 6.9871 6.9871 7.1772 7.1772 7.5105 7.5105 7.6024 7.6024 8.8139 8.8139 8.8390 8.8390 k = 0.4262 0.4262-0.0000 ( 9752 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.4121 -2.4121 -2.2741 -2.2741 2.0925 2.0925 2.1647 2.1647 4.4670 4.4670 4.5119 4.5119 4.9551 4.9551 5.3307 5.3307 5.7209 5.7209 5.7484 5.7484 5.8775 5.8775 6.0790 6.0790 6.9911 6.9911 7.2245 7.2245 7.5066 7.5066 7.6223 7.6223 8.8105 8.8105 8.8397 8.8397 k = 0.4180 0.4180-0.0000 ( 9748 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.4481 -2.4481 -2.2804 -2.2804 2.1196 2.1196 2.2053 2.2053 4.4643 4.4643 4.5183 4.5183 4.8814 4.8814 5.3095 5.3095 5.7236 5.7236 5.7490 5.7490 5.8980 5.8980 6.1155 6.1155 6.9959 6.9959 7.2750 7.2750 7.5023 7.5023 7.6444 7.6444 8.8069 8.8069 8.8405 8.8405 k = 0.4098 0.4098-0.0000 ( 9752 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.4867 -2.4867 -2.2872 -2.2872 2.1496 2.1496 2.2489 2.2489 4.4613 4.4613 4.5246 4.5246 4.8059 4.8059 5.2861 5.2861 5.7274 5.7274 5.7513 5.7513 5.9205 5.9205 6.1514 6.1514 7.0015 7.0015 7.3282 7.3282 7.4976 7.4976 7.6686 7.6686 8.8032 8.8032 8.8412 8.8412 k = 0.4016 0.4016-0.0000 ( 9756 PWs) bands (ev): -37.7779 -37.7779 -37.7777 -37.7777 -2.5276 -2.5276 -2.2946 -2.2946 2.1822 2.1822 2.2950 2.2950 4.4579 4.4579 4.5305 4.5305 4.7290 4.7290 5.2613 5.2613 5.7299 5.7299 5.7574 5.7574 5.9450 5.9450 6.1868 6.1868 7.0079 7.0079 7.3839 7.3839 7.4926 7.4926 7.6950 7.6950 8.7996 8.7996 8.8420 8.8420 k = 0.3934 0.3934-0.0000 ( 9746 PWs) bands (ev): -37.7779 -37.7779 -37.7777 -37.7777 -2.5707 -2.5707 -2.3024 -2.3024 2.2176 2.2176 2.3433 2.3433 4.4540 4.4540 4.5358 4.5358 4.6509 4.6509 5.2356 5.2356 5.7295 5.7295 5.7684 5.7684 5.9715 5.9715 6.2218 6.2218 7.0152 7.0152 7.4415 7.4415 7.4874 7.4874 7.7234 7.7234 8.7961 8.7961 8.8428 8.8428 k = 0.3852 0.3852-0.0000 ( 9750 PWs) bands (ev): -37.7780 -37.7780 -37.7777 -37.7777 -2.6156 -2.6156 -2.3106 -2.3106 2.2557 2.2557 2.3935 2.3935 4.4498 4.4498 4.5401 4.5401 4.5720 4.5720 5.2099 5.2099 5.7269 5.7269 5.7836 5.7836 5.9998 5.9998 6.2564 6.2564 7.0235 7.0235 7.4803 7.4803 7.5024 7.5024 7.7539 7.7539 8.7928 8.7928 8.8435 8.8435 k = 0.3770 0.3770-0.0000 ( 9764 PWs) bands (ev): -37.7780 -37.7780 -37.7778 -37.7778 -2.6621 -2.6621 -2.3193 -2.3193 2.2964 2.2964 2.4452 2.4452 4.4450 4.4450 4.4925 4.4925 4.5430 4.5430 5.1848 5.1848 5.7225 5.7225 5.8021 5.8021 6.0300 6.0300 6.2908 6.2908 7.0327 7.0327 7.4750 7.4750 7.5629 7.5629 7.7865 7.7865 8.7900 8.7900 8.8443 8.8443 k = 0.3689 0.3689-0.0000 ( 9768 PWs) bands (ev): -37.7781 -37.7781 -37.7778 -37.7778 -2.7100 -2.7100 -2.3283 -2.3283 2.3397 2.3397 2.4981 2.4981 4.4119 4.4119 4.4405 4.4405 4.5440 4.5440 5.1610 5.1610 5.7167 5.7167 5.8233 5.8233 6.0619 6.0619 6.3249 6.3249 7.0429 7.0429 7.4688 7.4688 7.6252 7.6252 7.8212 7.8212 8.7877 8.7877 8.8451 8.8451 k = 0.3607 0.3607-0.0000 ( 9768 PWs) bands (ev): -37.7781 -37.7781 -37.7778 -37.7778 -2.7591 -2.7591 -2.3376 -2.3376 2.3856 2.3856 2.5519 2.5519 4.3320 4.3320 4.4346 4.4346 4.5429 4.5429 5.1393 5.1393 5.7096 5.7096 5.8469 5.8469 6.0956 6.0956 6.3588 6.3588 7.0543 7.0543 7.4624 7.4624 7.6888 7.6888 7.8578 7.8578 8.7863 8.7863 8.8460 8.8460 k = 0.3525 0.3525-0.0000 ( 9764 PWs) bands (ev): -37.7782 -37.7782 -37.7778 -37.7778 -2.8090 -2.8090 -2.3473 -2.3473 2.4340 2.4340 2.6063 2.6063 4.2519 4.2519 4.4286 4.4286 4.5390 4.5390 5.1200 5.1200 5.7013 5.7013 5.8727 5.8727 6.1308 6.1308 6.3926 6.3926 7.0667 7.0667 7.4557 7.4557 7.7531 7.7531 7.8965 7.8965 8.7857 8.7857 8.8469 8.8469 k = 0.3443 0.3443-0.0000 ( 9756 PWs) bands (ev): -37.7782 -37.7782 -37.7778 -37.7778 -2.8597 -2.8597 -2.3571 -2.3571 2.4850 2.4850 2.6610 2.6610 4.1720 4.1720 4.4220 4.4220 4.5322 4.5322 5.1038 5.1038 5.6917 5.6917 5.9006 5.9006 6.1675 6.1675 6.4260 6.4260 7.0802 7.0802 7.4488 7.4488 7.8182 7.8182 7.9373 7.9373 8.7862 8.7862 8.8479 8.8479 k = 0.3361 0.3361-0.0000 ( 9754 PWs) bands (ev): -37.7783 -37.7783 -37.7779 -37.7779 -2.9109 -2.9109 -2.3672 -2.3672 2.5383 2.5383 2.7157 2.7157 4.0927 4.0927 4.4150 4.4150 4.5222 4.5222 5.0909 5.0909 5.6810 5.6810 5.9303 5.9303 6.2056 6.2056 6.4592 6.4592 7.0948 7.0948 7.4419 7.4419 7.8837 7.8837 7.9801 7.9801 8.7880 8.7880 8.8492 8.8492 k = 0.3279 0.3279-0.0000 ( 9756 PWs) bands (ev): -37.7783 -37.7783 -37.7779 -37.7779 -2.9625 -2.9625 -2.3775 -2.3775 2.5941 2.5941 2.7700 2.7700 4.0141 4.0141 4.4075 4.4075 4.5089 4.5089 5.0816 5.0816 5.6691 5.6691 5.9619 5.9619 6.2451 6.2451 6.4919 6.4919 7.1105 7.1105 7.4349 7.4349 7.9494 7.9494 8.0250 8.0250 8.7910 8.7910 8.8509 8.8509 k = 0.3197 0.3197-0.0000 ( 9758 PWs) bands (ev): -37.7784 -37.7784 -37.7779 -37.7779 -3.0143 -3.0143 -2.3879 -2.3879 2.6522 2.6522 2.8237 2.8237 3.9366 3.9366 4.3996 4.3996 4.4924 4.4924 5.0757 5.0757 5.6561 5.6561 5.9951 5.9951 6.2856 6.2856 6.5241 6.5241 7.1274 7.1274 7.4279 7.4279 8.0149 8.0149 8.0723 8.0723 8.7952 8.7952 8.8532 8.8532 k = 0.3115 0.3115-0.0000 ( 9760 PWs) bands (ev): -37.7785 -37.7785 -37.7779 -37.7779 -3.0661 -3.0661 -2.3984 -2.3984 2.7126 2.7126 2.8763 2.8763 3.8604 3.8604 4.3911 4.3911 4.4729 4.4729 5.0730 5.0730 5.6420 5.6420 6.0300 6.0300 6.3272 6.3272 6.5556 6.5556 7.1453 7.1453 7.4209 7.4209 8.0797 8.0797 8.1222 8.1222 8.8003 8.8003 8.8568 8.8568 k = 0.3033 0.3033-0.0000 ( 9760 PWs) bands (ev): -37.7785 -37.7785 -37.7779 -37.7779 -3.1177 -3.1177 -2.4090 -2.4090 2.7751 2.7751 2.9275 2.9275 3.7860 3.7860 4.3822 4.3822 4.4509 4.4509 5.0734 5.0734 5.6270 5.6270 6.0665 6.0665 6.3697 6.3697 6.5862 6.5862 7.1642 7.1642 7.4141 7.4141 8.1429 8.1429 8.1755 8.1755 8.8058 8.8058 8.8624 8.8624 k = 0.2951 0.2951-0.0000 ( 9760 PWs) bands (ev): -37.7786 -37.7786 -37.7780 -37.7780 -3.1692 -3.1692 -2.4196 -2.4196 2.8399 2.8399 2.9766 2.9766 3.7139 3.7139 4.3727 4.3727 4.4267 4.4267 5.0763 5.0763 5.6111 5.6111 6.1044 6.1044 6.4129 6.4129 6.6157 6.6157 7.1841 7.1841 7.4076 7.4076 8.2036 8.2036 8.2329 8.2329 8.8107 8.8107 8.8710 8.8710 k = 0.2869 0.2869-0.0000 ( 9754 PWs) bands (ev): -37.7787 -37.7787 -37.7780 -37.7780 -3.2203 -3.2203 -2.4302 -2.4302 2.9066 2.9066 3.0228 3.0228 3.6451 3.6451 4.3625 4.3625 4.4010 4.4010 5.0813 5.0813 5.5943 5.5943 6.1437 6.1437 6.4566 6.4566 6.6441 6.6441 7.2050 7.2050 7.4014 7.4014 8.2621 8.2621 8.2937 8.2937 8.8144 8.8144 8.8836 8.8836 k = 0.2787 0.2787-0.0000 ( 9762 PWs) bands (ev): -37.7787 -37.7787 -37.7780 -37.7780 -3.2709 -3.2709 -2.4408 -2.4408 2.9753 2.9753 3.0646 3.0646 3.5809 3.5809 4.3512 4.3512 4.3747 4.3747 5.0882 5.0882 5.5768 5.5768 6.1844 6.1844 6.5006 6.5006 6.6710 6.6710 7.2266 7.2266 7.3957 7.3957 8.3202 8.3202 8.3562 8.3562 8.8167 8.8167 8.9005 8.9005 k = 0.2705 0.2705-0.0000 ( 9774 PWs) bands (ev): -37.7788 -37.7788 -37.7781 -37.7781 -3.3209 -3.3209 -2.4513 -2.4513 3.0457 3.0457 3.0998 3.0998 3.5239 3.5239 4.3354 4.3354 4.3513 4.3513 5.0964 5.0964 5.5587 5.5587 6.2264 6.2264 6.5447 6.5447 6.6964 6.6964 7.2489 7.2489 7.3908 7.3908 8.3788 8.3788 8.4190 8.4190 8.8176 8.8176 8.9217 8.9217 k = 0.2623 0.2623-0.0000 ( 9792 PWs) bands (ev): -37.7789 -37.7789 -37.7781 -37.7781 -3.3702 -3.3702 -2.4616 -2.4616 3.1130 3.1130 3.1287 3.1287 3.4783 3.4783 4.3105 4.3105 4.3361 4.3361 5.1057 5.1057 5.5400 5.5400 6.2697 6.2697 6.5885 6.5885 6.7202 6.7202 7.2714 7.2714 7.3870 7.3870 8.4387 8.4387 8.4812 8.4812 8.8175 8.8175 8.9471 8.9471 k = 0.2541 0.2541-0.0000 ( 9792 PWs) bands (ev): -37.7789 -37.7789 -37.7781 -37.7781 -3.4187 -3.4187 -2.4719 -2.4719 3.1277 3.1277 3.1947 3.1947 3.4502 3.4502 4.2818 4.2818 4.3239 4.3239 5.1158 5.1158 5.5208 5.5208 6.3140 6.3140 6.6318 6.6318 6.7422 6.7422 7.2937 7.2937 7.3850 7.3850 8.5000 8.5000 8.5423 8.5423 8.8167 8.8167 8.9765 8.9765 k = 0.2459 0.2459-0.0000 ( 9792 PWs) bands (ev): -37.7790 -37.7790 -37.7781 -37.7781 -3.4664 -3.4664 -2.4820 -2.4820 3.1134 3.1134 3.2702 3.2702 3.4436 3.4436 4.2521 4.2521 4.3122 4.3122 5.1264 5.1264 5.5012 5.5012 6.3595 6.3595 6.6741 6.6741 6.7625 6.7625 7.3147 7.3147 7.3860 7.3860 8.5627 8.5627 8.6018 8.6018 8.8154 8.8154 9.0096 9.0096 k = 0.2377 0.2377-0.0000 ( 9786 PWs) bands (ev): -37.7791 -37.7791 -37.7782 -37.7782 -3.5131 -3.5131 -2.4920 -2.4920 3.0803 3.0803 3.3476 3.3476 3.4557 3.4557 4.2222 4.2222 4.3006 4.3006 5.1374 5.1374 5.4813 5.4813 6.4059 6.4059 6.7149 6.7149 6.7814 6.7814 7.3321 7.3321 7.3922 7.3922 8.6268 8.6268 8.6593 8.6593 8.8142 8.8142 9.0463 9.0463 k = 0.2295 0.2295-0.0000 ( 9778 PWs) bands (ev): -37.7791 -37.7791 -37.7782 -37.7782 -3.5588 -3.5588 -2.5017 -2.5017 3.0356 3.0356 3.4265 3.4265 3.4798 3.4798 4.1923 4.1923 4.2889 4.2889 5.1485 5.1485 5.4612 5.4612 6.4533 6.4533 6.7530 6.7530 6.7993 6.7993 7.3441 7.3441 7.4059 7.4059 8.6919 8.6919 8.7138 8.7138 8.8141 8.8141 9.0865 9.0865 k = 0.2213 0.2213-0.0000 ( 9772 PWs) bands (ev): -37.7792 -37.7792 -37.7782 -37.7782 -3.6034 -3.6034 -2.5113 -2.5113 2.9848 2.9848 3.5042 3.5042 3.5127 3.5127 4.1627 4.1627 4.2771 4.2771 5.1597 5.1597 5.4410 5.4410 6.5014 6.5014 6.7860 6.7860 6.8185 6.8185 7.3515 7.3515 7.4262 7.4262 8.7525 8.7525 8.7658 8.7658 8.8199 8.8199 9.1299 9.1299 k = 0.2131 0.2131-0.0000 ( 9780 PWs) bands (ev): -37.7793 -37.7793 -37.7782 -37.7782 -3.6468 -3.6468 -2.5206 -2.5206 2.9314 2.9314 3.5428 3.5428 3.5891 3.5891 4.1336 4.1336 4.2653 4.2653 5.1707 5.1707 5.4207 5.4207 6.5502 6.5502 6.8095 6.8095 6.8428 6.8428 7.3575 7.3575 7.4502 7.4502 8.7804 8.7804 8.8266 8.8266 8.8482 8.8482 9.1764 9.1764 k = 0.2049 0.2049-0.0000 ( 9772 PWs) bands (ev): -37.7793 -37.7793 -37.7783 -37.7783 -3.6890 -3.6890 -2.5296 -2.5296 2.8772 2.8772 3.5776 3.5776 3.6717 3.6717 4.1050 4.1050 4.2535 4.2535 5.1815 5.1815 5.4005 5.4005 6.5996 6.5996 6.8245 6.8245 6.8709 6.8709 7.3641 7.3641 7.4762 7.4762 8.7846 8.7846 8.8788 8.8788 8.9071 8.9071 9.2258 9.2258 k = 0.1967 0.1967-0.0000 ( 9776 PWs) bands (ev): -37.7794 -37.7794 -37.7783 -37.7783 -3.7300 -3.7300 -2.5383 -2.5383 2.8233 2.8233 3.6124 3.6124 3.7553 3.7553 4.0770 4.0770 4.2418 4.2418 5.1920 5.1920 5.3805 5.3805 6.6491 6.6491 6.8356 6.8356 6.8981 6.8981 7.3723 7.3723 7.5033 7.5033 8.7826 8.7826 8.9240 8.9240 8.9771 8.9771 9.2777 9.2777 k = 0.1885 0.1885-0.0000 ( 9776 PWs) bands (ev): -37.7795 -37.7795 -37.7783 -37.7783 -3.7696 -3.7696 -2.5468 -2.5468 2.7703 2.7703 3.6468 3.6468 3.8397 3.8397 4.0497 4.0497 4.2301 4.2301 5.2021 5.2021 5.3607 5.3607 6.6983 6.6983 6.8450 6.8450 6.9223 6.9223 7.3827 7.3827 7.5308 7.5308 8.7788 8.7788 8.9662 8.9662 9.0499 9.0499 9.3320 9.3320 k = 0.1803 0.1803-0.0000 ( 9786 PWs) bands (ev): -37.7795 -37.7795 -37.7783 -37.7783 -3.8079 -3.8079 -2.5550 -2.5550 2.7186 2.7186 3.6805 3.6805 3.9247 3.9247 4.0233 4.0233 4.2185 4.2185 5.2118 5.2118 5.3412 5.3412 6.7461 6.7461 6.8544 6.8544 6.9427 6.9427 7.3954 7.3954 7.5587 7.5587 8.7741 8.7741 9.0051 9.0051 9.1243 9.1243 9.3884 9.3884 k = 0.1721 0.1721-0.0000 ( 9796 PWs) bands (ev): -37.7796 -37.7796 -37.7784 -37.7784 -3.8447 -3.8447 -2.5629 -2.5629 2.6684 2.6684 3.7132 3.7132 3.9971 3.9971 4.0108 4.0108 4.2072 4.2072 5.2209 5.2209 5.3221 5.3221 6.7891 6.7891 6.8674 6.8674 6.9590 6.9590 7.4106 7.4106 7.5865 7.5865 8.7689 8.7689 9.0404 9.0404 9.2001 9.2001 9.4467 9.4467 k = 0.1639 0.1639-0.0000 ( 9804 PWs) bands (ev): -37.7797 -37.7797 -37.7784 -37.7784 -3.8801 -3.8801 -2.5704 -2.5704 2.6200 2.6200 3.7448 3.7448 3.9729 3.9729 4.0959 4.0959 4.1962 4.1962 5.2295 5.2295 5.3037 5.3037 6.8194 6.8194 6.8918 6.8918 6.9713 6.9713 7.4277 7.4277 7.6142 7.6142 8.7635 8.7635 9.0718 9.0718 9.2769 9.2769 9.5064 9.5064 k = 0.1557 0.1557-0.0000 ( 9794 PWs) bands (ev): -37.7797 -37.7797 -37.7784 -37.7784 -3.9140 -3.9140 -2.5776 -2.5776 2.5735 2.5735 3.7751 3.7751 3.9492 3.9492 4.1764 4.1764 4.1904 4.1904 5.2370 5.2370 5.2861 5.2861 6.8337 6.8337 6.9311 6.9311 6.9800 6.9800 7.4464 7.4464 7.6416 7.6416 8.7580 8.7580 9.0993 9.0993 9.3546 9.3546 9.5675 9.5675 k = 0.1475 0.1475-0.0000 ( 9798 PWs) bands (ev): -37.7798 -37.7798 -37.7784 -37.7784 -3.9463 -3.9463 -2.5845 -2.5845 2.5290 2.5290 3.8041 3.8041 3.9266 3.9266 4.1735 4.1735 4.2683 4.2683 5.2426 5.2426 5.2706 5.2706 6.8395 6.8395 6.9758 6.9758 6.9873 6.9873 7.4660 7.4660 7.6686 7.6686 8.7525 8.7525 9.1228 9.1228 9.4331 9.4331 9.6295 9.6295 k = 0.1393 0.1393-0.0000 ( 9796 PWs) bands (ev): -37.7798 -37.7798 -37.7785 -37.7785 -3.9771 -3.9771 -2.5910 -2.5910 2.4866 2.4866 3.8317 3.8317 3.9051 3.9051 4.1634 4.1634 4.3532 4.3532 5.2409 5.2409 5.2626 5.2626 6.8417 6.8417 6.9861 6.9861 7.0286 7.0286 7.4858 7.4858 7.6950 7.6950 8.7471 8.7471 9.1421 9.1421 9.5121 9.5121 9.6923 9.6923 k = 0.1311 0.1311-0.0000 ( 9788 PWs) bands (ev): -37.7799 -37.7799 -37.7785 -37.7785 -4.0063 -4.0063 -2.5972 -2.5972 2.4464 2.4464 3.8573 3.8573 3.8852 3.8852 4.1535 4.1535 4.4375 4.4375 5.2289 5.2289 5.2649 5.2649 6.8420 6.8420 6.9859 6.9859 7.0785 7.0785 7.5053 7.5053 7.7206 7.7206 8.7420 8.7420 9.1573 9.1573 9.5915 9.5915 9.7555 9.7555 k = 0.1230 0.1230-0.0000 ( 9792 PWs) bands (ev): -37.7799 -37.7799 -37.7785 -37.7785 -4.0338 -4.0338 -2.6030 -2.6030 2.4084 2.4084 3.8633 3.8633 3.8846 3.8846 4.1439 4.1439 4.5208 4.5208 5.2143 5.2143 5.2700 5.2700 6.8413 6.8413 6.9834 6.9834 7.1286 7.1286 7.5239 7.5239 7.7455 7.7455 8.7373 8.7373 9.1686 9.1686 9.6708 9.6708 9.8189 9.8189 k = 0.1148 0.1148-0.0000 ( 9788 PWs) bands (ev): -37.7800 -37.7800 -37.7785 -37.7785 -4.0597 -4.0597 -2.6084 -2.6084 2.3727 2.3727 3.8459 3.8459 3.9070 3.9070 4.1348 4.1348 4.6027 4.6027 5.1998 5.1998 5.2753 5.2753 6.8399 6.8399 6.9789 6.9789 7.1782 7.1782 7.5412 7.5412 7.7693 7.7693 8.7330 8.7330 9.1760 9.1760 9.7499 9.7499 9.8821 9.8821 k = 0.1066 0.1066-0.0000 ( 9786 PWs) bands (ev): -37.7800 -37.7800 -37.7785 -37.7785 -4.0839 -4.0839 -2.6135 -2.6135 2.3393 2.3393 3.8289 3.8289 3.9287 3.9287 4.1262 4.1262 4.6827 4.6827 5.1859 5.1859 5.2804 5.2804 6.8379 6.8379 6.9728 6.9728 7.2269 7.2269 7.5567 7.5567 7.7921 7.7921 8.7293 8.7293 9.1798 9.1798 9.8284 9.8284 9.9450 9.9450 k = 0.0984 0.0984-0.0000 ( 9796 PWs) bands (ev): -37.7801 -37.7801 -37.7785 -37.7785 -4.1064 -4.1064 -2.6182 -2.6182 2.3082 2.3082 3.8130 3.8130 3.9490 3.9490 4.1180 4.1180 4.7606 4.7606 5.1728 5.1728 5.2851 5.2851 6.8357 6.8357 6.9655 6.9655 7.2744 7.2744 7.5704 7.5704 7.8138 7.8138 8.7262 8.7262 9.1803 9.1803 9.9057 9.9057 10.0071 10.0071 k = 0.0902 0.0902-0.0000 ( 9790 PWs) bands (ev): -37.7801 -37.7801 -37.7786 -37.7786 -4.1272 -4.1272 -2.6225 -2.6225 2.2796 2.2796 3.7983 3.7983 3.9678 3.9678 4.1104 4.1104 4.8358 4.8358 5.1605 5.1605 5.2894 5.2894 6.8333 6.8333 6.9570 6.9570 7.3203 7.3203 7.5820 7.5820 7.8341 7.8341 8.7237 8.7237 9.1780 9.1780 9.9815 9.9815 10.0682 10.0682 k = 0.0820 0.0820-0.0000 ( 9802 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1462 -4.1462 -2.6265 -2.6265 2.2533 2.2533 3.7848 3.7848 3.9850 3.9850 4.1034 4.1034 4.9077 4.9077 5.1491 5.1491 5.2933 5.2933 6.8308 6.8308 6.9477 6.9477 7.3642 7.3642 7.5916 7.5916 7.8530 7.8530 8.7219 8.7219 9.1731 9.1731 10.0552 10.0552 10.1277 10.1277 k = 0.0738 0.0738-0.0000 ( 9804 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1635 -4.1635 -2.6301 -2.6301 2.2295 2.2295 3.7725 3.7725 4.0006 4.0006 4.0970 4.0970 4.9757 4.9757 5.1388 5.1388 5.2968 5.2968 6.8284 6.8284 6.9377 6.9377 7.4058 7.4058 7.5992 7.5992 7.8705 7.8705 8.7207 8.7207 9.1662 9.1662 10.1261 10.1261 10.1852 10.1852 k = 0.0656 0.0656-0.0000 ( 9800 PWs) bands (ev): -37.7802 -37.7802 -37.7786 -37.7786 -4.1790 -4.1790 -2.6333 -2.6333 2.2081 2.2081 3.7615 3.7615 4.0146 4.0146 4.0912 4.0912 5.0392 5.0392 5.1297 5.1297 5.2998 5.2998 6.8261 6.8261 6.9273 6.9273 7.4446 7.4446 7.6050 7.6050 7.8864 7.8864 8.7201 8.7201 9.1578 9.1578 10.1935 10.1935 10.2403 10.2403 k = 0.0574 0.0574-0.0000 ( 9818 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.1927 -4.1927 -2.6361 -2.6361 2.1892 2.1892 3.7517 3.7517 4.0269 4.0269 4.0861 4.0861 5.0958 5.0958 5.1234 5.1234 5.3025 5.3025 6.8241 6.8241 6.9168 6.9168 7.4801 7.4801 7.6094 7.6094 7.9007 7.9007 8.7199 8.7199 9.1485 9.1485 10.2564 10.2564 10.2921 10.2921 k = 0.0492 0.0492-0.0000 ( 9808 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2046 -4.2046 -2.6386 -2.6386 2.1728 2.1728 3.7433 3.7433 4.0376 4.0376 4.0817 4.0817 5.1113 5.1113 5.1535 5.1535 5.3048 5.3048 6.8223 6.8223 6.9064 6.9064 7.5117 7.5117 7.6127 7.6127 7.9132 7.9132 8.7201 8.7201 9.1389 9.1389 10.3140 10.3140 10.3401 10.3401 k = 0.0410 0.0410-0.0000 ( 9798 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2147 -4.2147 -2.6407 -2.6407 2.1589 2.1589 3.7361 3.7361 4.0465 4.0465 4.0781 4.0781 5.1060 5.1060 5.1990 5.1990 5.3067 5.3067 6.8208 6.8208 6.8966 6.8966 7.5389 7.5389 7.6153 7.6153 7.9239 7.9239 8.7205 8.7205 9.1295 9.1295 10.3653 10.3653 10.3832 10.3832 k = 0.0328 0.0328-0.0000 ( 9793 PWs) bands (ev): -37.7803 -37.7803 -37.7786 -37.7786 -4.2229 -4.2229 -2.6424 -2.6424 2.1475 2.1475 3.7302 3.7302 4.0536 4.0536 4.0754 4.0754 5.1011 5.1011 5.2381 5.2381 5.3082 5.3082 6.8197 6.8197 6.8877 6.8877 7.5609 7.5609 7.6180 7.6180 7.9328 7.9328 8.7211 8.7211 9.1208 9.1208 10.4091 10.4091 10.4205 10.4205 k = 0.0246 0.0246-0.0000 ( 9789 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2294 -4.2294 -2.6437 -2.6437 2.1387 2.1387 3.7256 3.7256 4.0587 4.0587 4.0737 4.0737 5.0971 5.0971 5.2694 5.2694 5.3094 5.3094 6.8190 6.8190 6.8801 6.8801 7.5770 7.5770 7.6212 7.6212 7.9398 7.9398 8.7216 8.7216 9.1135 9.1135 10.4445 10.4445 10.4511 10.4511 k = 0.0164 0.0164-0.0000 ( 9797 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2340 -4.2340 -2.6446 -2.6446 2.1323 2.1323 3.7223 3.7223 4.0617 4.0617 4.0731 4.0731 5.0943 5.0943 5.2922 5.2922 5.3103 5.3103 6.8186 6.8186 6.8743 6.8743 7.5870 7.5870 7.6252 7.6252 7.9448 7.9448 8.7221 8.7221 9.1079 9.1079 10.4705 10.4705 10.4739 10.4739 k = 0.0082 0.0082-0.0000 ( 9805 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2367 -4.2367 -2.6452 -2.6452 2.1285 2.1285 3.7204 3.7204 4.0629 4.0629 4.0734 4.0734 5.0926 5.0926 5.3058 5.3058 5.3112 5.3112 6.8184 6.8184 6.8706 6.8706 7.5919 7.5919 7.6286 7.6286 7.9478 7.9478 8.7224 8.7224 9.1045 9.1045 10.4862 10.4862 10.4883 10.4883 k = 0.0000 0.0000 0.0000 ( 9797 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2377 -4.2377 -2.6454 -2.6454 2.1272 2.1272 3.7197 3.7197 4.0632 4.0632 4.0736 4.0736 5.0920 5.0920 5.3094 5.3094 5.3124 5.3124 6.8183 6.8183 6.8693 6.8693 7.5933 7.5933 7.6300 7.6300 7.9488 7.9488 8.7225 8.7225 9.1033 9.1033 10.4914 10.4914 10.4932 10.4932 k = 0.0000 0.0000 0.0000 ( 9797 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2377 -4.2377 -2.6454 -2.6454 2.1272 2.1272 3.7197 3.7197 4.0632 4.0632 4.0736 4.0736 5.0920 5.0920 5.3094 5.3094 5.3124 5.3124 6.8183 6.8183 6.8693 6.8693 7.5933 7.5933 7.6300 7.6300 7.9488 7.9488 8.7225 8.7225 9.1033 9.1033 10.4914 10.4914 10.4932 10.4932 k = 0.0000 0.0000 0.0113 ( 9805 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2371 -4.2371 -2.6467 -2.6467 2.1296 2.1296 3.7192 3.7192 4.0628 4.0628 4.0732 4.0732 5.0920 5.0920 5.3100 5.3100 5.3130 5.3130 6.8187 6.8187 6.8695 6.8695 7.5935 7.5935 7.6302 7.6302 7.9488 7.9488 8.7225 8.7225 9.0978 9.0978 10.4893 10.4893 10.4911 10.4911 k = 0.0000 0.0000 0.0227 ( 9789 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2354 -4.2354 -2.6507 -2.6507 2.1365 2.1365 3.7177 3.7177 4.0618 4.0618 4.0722 4.0722 5.0920 5.0920 5.3119 5.3119 5.3149 5.3149 6.8200 6.8200 6.8700 6.8700 7.5941 7.5941 7.6308 7.6308 7.9488 7.9488 8.7224 8.7224 9.0814 9.0814 10.4829 10.4829 10.4849 10.4849 k = 0.0000 0.0000 0.0340 ( 9785 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2325 -4.2325 -2.6572 -2.6572 2.1480 2.1480 3.7151 3.7151 4.0601 4.0601 4.0705 4.0705 5.0921 5.0921 5.3150 5.3150 5.3180 5.3180 6.8220 6.8220 6.8708 6.8708 7.5950 7.5950 7.6317 7.6317 7.9488 7.9488 8.7223 8.7223 9.0547 9.0547 10.4726 10.4726 10.4747 10.4747 k = 0.0000 0.0000 0.0454 ( 9797 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2285 -4.2285 -2.6663 -2.6663 2.1640 2.1640 3.7115 3.7115 4.0579 4.0579 4.0681 4.0681 5.0921 5.0921 5.3193 5.3193 5.3223 5.3223 6.8249 6.8249 6.8719 6.8719 7.5964 7.5964 7.6329 7.6329 7.9488 7.9488 8.7221 8.7221 9.0183 9.0183 10.4583 10.4583 10.4607 10.4607 k = 0.0000 0.0000 0.0567 ( 9801 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2234 -4.2234 -2.6777 -2.6777 2.1842 2.1842 3.7069 3.7069 4.0550 4.0550 4.0652 4.0652 5.0921 5.0921 5.3247 5.3247 5.3276 5.3276 6.8286 6.8286 6.8734 6.8734 7.5981 7.5981 7.6346 7.6346 7.9488 7.9488 8.7218 8.7218 8.9732 8.9732 10.4405 10.4405 10.4432 10.4432 k = 0.0000 0.0000 0.0681 ( 9793 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2173 -4.2173 -2.6914 -2.6914 2.2087 2.2087 3.7011 3.7011 4.0516 4.0516 4.0617 4.0617 5.0922 5.0922 5.3311 5.3311 5.3340 5.3340 6.8333 6.8333 6.8751 6.8751 7.6002 7.6002 7.6365 7.6365 7.9488 7.9488 8.7213 8.7213 8.9204 8.9204 10.4194 10.4194 10.4224 10.4224 k = 0.0000 0.0000 0.0794 ( 9793 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2101 -4.2101 -2.7071 -2.7071 2.2370 2.2370 3.6942 3.6942 4.0477 4.0477 4.0577 4.0577 5.0922 5.0922 5.3385 5.3385 5.3413 5.3413 6.8389 6.8389 6.8771 6.8771 7.6026 7.6026 7.6388 7.6388 7.9488 7.9488 8.7202 8.7202 8.8614 8.8614 10.3955 10.3955 10.3988 10.3988 k = 0.0000 0.0000 0.0908 ( 9785 PWs) bands (ev): -37.7803 -37.7803 -37.7787 -37.7787 -4.2019 -4.2019 -2.7248 -2.7248 2.2691 2.2691 3.6862 3.6862 4.0434 4.0434 4.0533 4.0533 5.0923 5.0923 5.3467 5.3467 5.3495 5.3495 6.8456 6.8456 6.8793 6.8793 7.6053 7.6053 7.6414 7.6414 7.9488 7.9488 8.7171 8.7171 8.7985 8.7985 10.3690 10.3690 10.3728 10.3728 k = 0.0000 0.0000 0.1021 ( 9793 PWs) bands (ev): -37.7802 -37.7802 -37.7787 -37.7787 -4.1928 -4.1928 -2.7442 -2.7442 2.3046 2.3046 3.6769 3.6769 4.0388 4.0388 4.0486 4.0486 5.0923 5.0923 5.3555 5.3555 5.3583 5.3583 6.8533 6.8533 6.8817 6.8817 7.6083 7.6083 7.6443 7.6443 7.9489 7.9489 8.7001 8.7001 8.7449 8.7449 10.3406 10.3406 10.3447 10.3447 k = 0.0000 0.0000 0.1135 ( 9785 PWs) bands (ev): -37.7802 -37.7802 -37.7787 -37.7787 -4.1829 -4.1829 -2.7650 -2.7650 2.3433 2.3433 3.6663 3.6663 4.0339 4.0339 4.0436 4.0436 5.0924 5.0924 5.3649 5.3649 5.3677 5.3677 6.8622 6.8622 6.8843 6.8843 7.6116 7.6116 7.6474 7.6474 7.9489 7.9489 8.6408 8.6408 8.7298 8.7298 10.3105 10.3105 10.3151 10.3151 k = 0.0000 0.0000 0.1248 ( 9789 PWs) bands (ev): -37.7802 -37.7802 -37.7788 -37.7788 -4.1722 -4.1722 -2.7870 -2.7870 2.3848 2.3848 3.6544 3.6544 4.0289 4.0289 4.0384 4.0384 5.0924 5.0924 5.3748 5.3748 5.3775 5.3775 6.8724 6.8724 6.8871 6.8871 7.6151 7.6151 7.6508 7.6508 7.9489 7.9489 8.5663 8.5663 8.7270 8.7270 10.2793 10.2793 10.2842 10.2842 k = 0.0000 0.0000 0.1362 ( 9785 PWs) bands (ev): -37.7802 -37.7802 -37.7788 -37.7788 -4.1608 -4.1608 -2.8100 -2.8100 2.4289 2.4289 3.6412 3.6412 4.0237 4.0237 4.0331 4.0331 5.0925 5.0925 5.3850 5.3850 5.3877 5.3877 6.8839 6.8839 6.8899 6.8899 7.6188 7.6188 7.6543 7.6543 7.9489 7.9489 8.4881 8.4881 8.7259 8.7259 10.2474 10.2474 10.2527 10.2527 k = 0.0000 0.0000 0.1475 ( 9793 PWs) bands (ev): -37.7802 -37.7802 -37.7788 -37.7788 -4.1489 -4.1489 -2.8338 -2.8338 2.4751 2.4751 3.6264 3.6264 4.0185 4.0185 4.0277 4.0277 5.0925 5.0925 5.3953 5.3953 5.3980 5.3980 6.8928 6.8928 6.8968 6.8968 7.6226 7.6226 7.6580 7.6580 7.9489 7.9489 8.4081 8.4081 8.7253 8.7253 10.2153 10.2153 10.2209 10.2209 k = 0.0000 0.0000 0.1589 ( 9785 PWs) bands (ev): -37.7802 -37.7802 -37.7788 -37.7788 -4.1364 -4.1364 -2.8579 -2.8579 2.5232 2.5232 3.6102 3.6102 4.0133 4.0133 4.0224 4.0224 5.0926 5.0926 5.4056 5.4056 5.4083 5.4083 6.8958 6.8958 6.9112 6.9112 7.6264 7.6264 7.6619 7.6619 7.9489 7.9489 8.3273 8.3273 8.7250 8.7250 10.1832 10.1832 10.1893 10.1893 k = 0.0000 0.0000 0.1702 ( 9777 PWs) bands (ev): -37.7801 -37.7801 -37.7788 -37.7788 -4.1237 -4.1237 -2.8821 -2.8821 2.5728 2.5728 3.5923 3.5923 4.0082 4.0082 4.0172 4.0172 5.0926 5.0926 5.4158 5.4158 5.4186 5.4186 6.8987 6.8987 6.9272 6.9272 7.6303 7.6303 7.6657 7.6657 7.9490 7.9490 8.2466 8.2466 8.7248 8.7248 10.1518 10.1518 10.1581 10.1581 k = 0.0000 0.0000 0.1816 ( 9781 PWs) bands (ev): -37.7801 -37.7801 -37.7789 -37.7789 -4.1108 -4.1108 -2.9062 -2.9062 2.6234 2.6234 3.5729 3.5729 4.0032 4.0032 4.0121 4.0121 5.0927 5.0927 5.4258 5.4258 5.4285 5.4285 6.9016 6.9016 6.9449 6.9449 7.6341 7.6341 7.6696 7.6696 7.9490 7.9490 8.1667 8.1667 8.7246 8.7246 10.1213 10.1213 10.1280 10.1280 k = 0.0000 0.0000 0.1929 ( 9757 PWs) bands (ev): -37.7801 -37.7801 -37.7789 -37.7789 -4.0979 -4.0979 -2.9297 -2.9297 2.6748 2.6748 3.5517 3.5517 3.9985 3.9985 4.0073 4.0073 5.0927 5.0927 5.4354 5.4354 5.4381 5.4381 6.9044 6.9044 6.9644 6.9644 7.6377 7.6377 7.6734 7.6734 7.9490 7.9490 8.0882 8.0882 8.7245 8.7245 10.0921 10.0921 10.0990 10.0990 k = 0.0000 0.0000 0.2043 ( 9757 PWs) bands (ev): -37.7801 -37.7801 -37.7789 -37.7789 -4.0853 -4.0853 -2.9525 -2.9525 2.7265 2.7265 3.5289 3.5289 3.9941 3.9941 4.0028 4.0028 5.0928 5.0928 5.4444 5.4444 5.4472 5.4472 6.9071 6.9071 6.9857 6.9857 7.6409 7.6409 7.6772 7.6772 7.9491 7.9491 8.0117 8.0117 8.7244 8.7244 10.0646 10.0646 10.0718 10.0718 k = 0.0000 0.0000 0.2156 ( 9757 PWs) bands (ev): -37.7801 -37.7801 -37.7789 -37.7789 -4.0730 -4.0730 -2.9741 -2.9741 2.7781 2.7781 3.5045 3.5045 3.9900 3.9900 3.9986 3.9986 5.0928 5.0928 5.4529 5.4529 5.4557 5.4557 6.9095 6.9095 7.0087 7.0087 7.6436 7.6436 7.6807 7.6807 7.9382 7.9382 7.9491 7.9491 8.7243 8.7243 10.0391 10.0391 10.0465 10.0465 k = 0.0000 0.0000 0.2270 ( 9765 PWs) bands (ev): -37.7800 -37.7800 -37.7789 -37.7789 -4.0614 -4.0614 -2.9942 -2.9942 2.8291 2.8291 3.4784 3.4784 3.9863 3.9863 3.9948 3.9948 5.0929 5.0929 5.4606 5.4606 5.4634 5.4634 6.9118 6.9118 7.0335 7.0335 7.6453 7.6453 7.6840 7.6840 7.8684 7.8684 7.9491 7.9491 8.7243 8.7243 10.0158 10.0158 10.0234 10.0234 k = 0.0000 0.0000 0.2383 ( 9772 PWs) bands (ev): -37.7800 -37.7800 -37.7789 -37.7789 -4.0506 -4.0506 -3.0125 -3.0125 2.8790 2.8790 3.4510 3.4510 3.9830 3.9830 3.9914 3.9914 5.0929 5.0929 5.4675 5.4675 5.4704 5.4704 6.9139 6.9139 7.0597 7.0597 7.6450 7.6450 7.6871 7.6871 7.8040 7.8040 7.9492 7.9492 8.7242 8.7242 9.9951 9.9951 10.0028 10.0028 k = 0.0000 0.0000 0.2497 ( 9752 PWs) bands (ev): -37.7800 -37.7800 -37.7790 -37.7790 -4.0410 -4.0410 -3.0287 -3.0287 2.9271 2.9271 3.4224 3.4224 3.9801 3.9801 3.9884 3.9884 5.0929 5.0929 5.4735 5.4735 5.4764 5.4764 6.9157 6.9157 7.0871 7.0871 7.6403 7.6403 7.6897 7.6897 7.7482 7.7482 7.9492 7.9492 8.7242 8.7242 9.9772 9.9772 9.9850 9.9850 k = 0.0000 0.0000 0.2610 ( 9744 PWs) bands (ev): -37.7800 -37.7800 -37.7790 -37.7790 -4.0327 -4.0327 -3.0424 -3.0424 2.9727 2.9727 3.3934 3.3934 3.9777 3.9777 3.9860 3.9860 5.0930 5.0930 5.4785 5.4785 5.4814 5.4814 6.9172 6.9172 7.1147 7.1147 7.6251 7.6251 7.6920 7.6920 7.7082 7.7082 7.9492 7.9492 8.7242 8.7242 9.9622 9.9622 9.9701 9.9701 k = 0.0000 0.0000 0.2724 ( 9764 PWs) bands (ev): -37.7800 -37.7800 -37.7790 -37.7790 -4.0260 -4.0260 -3.0534 -3.0534 3.0142 3.0142 3.3649 3.3649 3.9759 3.9759 3.9841 3.9841 5.0930 5.0930 5.4824 5.4824 5.4854 5.4854 6.9184 6.9184 7.1413 7.1413 7.5959 7.5959 7.6892 7.6892 7.6938 7.6938 7.9493 7.9493 8.7241 8.7241 9.9504 9.9504 9.9584 9.9584 k = 0.0000 0.0000 0.2837 ( 9772 PWs) bands (ev): -37.7800 -37.7800 -37.7790 -37.7790 -4.0211 -4.0211 -3.0615 -3.0615 3.0494 3.0494 3.3392 3.3392 3.9745 3.9745 3.9827 3.9827 5.0930 5.0930 5.4853 5.4853 5.4882 5.4882 6.9193 6.9193 7.1645 7.1645 7.5637 7.5637 7.6825 7.6825 7.6951 7.6951 7.9493 7.9493 8.7241 8.7241 9.9418 9.9418 9.9499 9.9499 k = 0.0000 0.0000 0.2951 ( 9740 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0180 -4.0180 -3.0664 -3.0664 3.0742 3.0742 3.3201 3.3201 3.9737 3.9737 3.9819 3.9819 5.0930 5.0930 5.4870 5.4870 5.4900 5.4900 6.9198 6.9198 7.1810 7.1810 7.5400 7.5400 7.6803 7.6803 7.6960 7.6960 7.9493 7.9493 8.7241 8.7241 9.9366 9.9366 9.9448 9.9448 k = 0.0000 0.0000 0.3064 ( 9740 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0170 -4.0170 -3.0680 -3.0680 3.0835 3.0835 3.3128 3.3128 3.9734 3.9734 3.9816 3.9816 5.0930 5.0930 5.4876 5.4876 5.4906 5.4906 6.9200 6.9200 7.1871 7.1871 7.5313 7.5313 7.6797 7.6797 7.6962 7.6962 7.9493 7.9493 8.7241 8.7241 9.9349 9.9349 9.9430 9.9430 k = 0.0000 0.0000 0.3064 ( 9740 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0170 -4.0170 -3.0680 -3.0680 3.0835 3.0835 3.3128 3.3128 3.9734 3.9734 3.9816 3.9816 5.0930 5.0930 5.4876 5.4876 5.4906 5.4906 6.9200 6.9200 7.1871 7.1871 7.5313 7.5313 7.6797 7.6797 7.6962 7.6962 7.9493 7.9493 8.7241 8.7241 9.9349 9.9349 9.9430 9.9430 k = 0.0000 0.0116 0.3064 ( 9746 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0161 -4.0161 -3.0676 -3.0676 3.0840 3.0840 3.3130 3.3130 3.9735 3.9735 3.9817 3.9817 5.0936 5.0936 5.4842 5.4842 5.4892 5.4892 6.9207 6.9207 7.1855 7.1855 7.5307 7.5307 7.6801 7.6801 7.6969 7.6969 7.9483 7.9483 8.7246 8.7246 9.9303 9.9303 9.9411 9.9411 k = 0.0000 0.0233 0.3064 ( 9762 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0135 -4.0135 -3.0663 -3.0663 3.0855 3.0855 3.3137 3.3137 3.9733 3.9733 3.9825 3.9825 5.0953 5.0953 5.4714 5.4714 5.4878 5.4878 6.9227 6.9227 7.1813 7.1813 7.5285 7.5285 7.6798 7.6798 7.7006 7.7006 7.9454 7.9454 8.7259 8.7259 9.9117 9.9117 9.9405 9.9405 k = 0.0000 0.0349 0.3064 ( 9760 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0091 -4.0091 -3.0642 -3.0642 3.0879 3.0879 3.3147 3.3147 3.9723 3.9723 3.9847 3.9847 5.0981 5.0981 5.4500 5.4500 5.4861 5.4861 6.9249 6.9249 7.1758 7.1758 7.5246 7.5246 7.6765 7.6765 7.7093 7.7093 7.9405 7.9405 8.7282 8.7282 9.8802 9.8802 9.9414 9.9414 k = 0.0000 0.0465 0.3064 ( 9760 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0030 -4.0030 -3.0612 -3.0612 3.0912 3.0912 3.3160 3.3160 3.9701 3.9701 3.9886 3.9886 5.1021 5.1021 5.4207 5.4207 5.4837 5.4837 6.9257 6.9257 7.1707 7.1707 7.5187 7.5187 7.6701 7.6701 7.7226 7.7226 7.9337 7.9337 8.7315 8.7315 9.8384 9.8384 9.9430 9.9430 k = 0.0000 0.0581 0.3064 ( 9760 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9952 -3.9952 -3.0574 -3.0574 3.0954 3.0954 3.3174 3.3174 3.9673 3.9673 3.9939 3.9939 5.1072 5.1072 5.3844 5.3844 5.4806 5.4806 6.9232 6.9232 7.1681 7.1681 7.5105 7.5105 7.6613 7.6613 7.7397 7.7397 7.9251 7.9251 8.7357 8.7357 9.7883 9.7883 9.9451 9.9451 k = 0.0000 0.0698 0.3064 ( 9756 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9856 -3.9856 -3.0528 -3.0528 3.1003 3.1003 3.3187 3.3187 3.9640 3.9640 4.0007 4.0007 5.1135 5.1135 5.3419 5.3419 5.4768 5.4768 6.9158 6.9158 7.1696 7.1696 7.4998 7.4998 7.6502 7.6502 7.7597 7.7597 7.9149 7.9149 8.7409 8.7409 9.7322 9.7322 9.9476 9.9476 k = 0.0000 0.0814 0.3064 ( 9764 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9744 -3.9744 -3.0474 -3.0474 3.1058 3.1058 3.3197 3.3197 3.9606 3.9606 4.0088 4.0088 5.1208 5.1208 5.2940 5.2940 5.4723 5.4723 6.9028 6.9028 7.1759 7.1759 7.4867 7.4867 7.6370 7.6370 7.7820 7.7820 7.9035 7.9035 8.7472 8.7472 9.6720 9.6720 9.9505 9.9505 k = 0.0000 0.0930 0.3064 ( 9752 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9615 -3.9615 -3.0413 -3.0413 3.1118 3.1118 3.3200 3.3200 3.9575 3.9575 4.0181 4.0181 5.1292 5.1292 5.2418 5.2418 5.4672 5.4672 6.8847 6.8847 7.1864 7.1864 7.4710 7.4710 7.6217 7.6217 7.8050 7.8050 7.8920 7.8920 8.7544 8.7544 9.6094 9.6094 9.9539 9.9539 k = 0.0000 0.1047 0.3064 ( 9748 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9469 -3.9469 -3.0345 -3.0345 3.1182 3.1182 3.3193 3.3193 3.9551 3.9551 4.0286 4.0286 5.1379 5.1379 5.1867 5.1867 5.4612 5.4612 6.8624 6.8624 7.1999 7.1999 7.4528 7.4528 7.6044 7.6044 7.8244 7.8244 7.8848 7.8848 8.7628 8.7628 9.5461 9.5461 9.9575 9.9575 k = 0.0000 0.1163 0.3064 ( 9748 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9308 -3.9308 -3.0270 -3.0270 3.1246 3.1246 3.3172 3.3172 3.9537 3.9537 4.0403 4.0403 5.1230 5.1230 5.1537 5.1537 5.4546 5.4546 6.8370 6.8370 7.2148 7.2148 7.4320 7.4320 7.5850 7.5850 7.8285 7.8285 7.8937 7.8937 8.7724 8.7724 9.4833 9.4833 9.9615 9.9615 k = 0.0000 0.1279 0.3064 ( 9756 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9131 -3.9131 -3.0190 -3.0190 3.1310 3.1310 3.3134 3.3134 3.9537 3.9537 4.0531 4.0531 5.0644 5.0644 5.1637 5.1637 5.4472 5.4472 6.8098 6.8098 7.2299 7.2299 7.4089 7.4089 7.5637 7.5637 7.8163 7.8163 7.9197 7.9197 8.7830 8.7830 9.4219 9.4219 9.9657 9.9657 k = 0.0000 0.1395 0.3064 ( 9760 PWs) bands (ev): -37.7797 -37.7797 -37.7789 -37.7789 -3.8938 -3.8938 -3.0104 -3.0104 3.1370 3.1370 3.3075 3.3075 3.9557 3.9557 4.0671 4.0671 5.0029 5.0029 5.1767 5.1767 5.4391 5.4391 6.7814 6.7814 7.2441 7.2441 7.3833 7.3833 7.5404 7.5404 7.7972 7.7972 7.9535 7.9535 8.7949 8.7949 9.3630 9.3630 9.9701 9.9701 k = 0.0000 0.1512 0.3064 ( 9772 PWs) bands (ev): -37.7797 -37.7797 -37.7789 -37.7789 -3.8731 -3.8731 -3.0013 -3.0013 3.1422 3.1422 3.2992 3.2992 3.9598 3.9598 4.0821 4.0821 4.9409 4.9409 5.1911 5.1911 5.4301 5.4301 6.7525 6.7525 7.2565 7.2565 7.3557 7.3557 7.5152 7.5152 7.7748 7.7748 7.9916 7.9916 8.8081 8.8081 9.3071 9.3071 9.9747 9.9747 k = 0.0000 0.1628 0.3064 ( 9766 PWs) bands (ev): -37.7797 -37.7797 -37.7788 -37.7788 -3.8509 -3.8509 -2.9918 -2.9918 3.1465 3.1465 3.2882 3.2882 3.9665 3.9665 4.0982 4.0982 4.8794 4.8794 5.2068 5.2068 5.4205 5.4205 6.7237 6.7237 7.2658 7.2658 7.3267 7.3267 7.4881 7.4881 7.7502 7.7502 8.0331 8.0331 8.8225 8.8225 9.2546 9.2546 9.9793 9.9793 k = 0.0000 0.1744 0.3064 ( 9762 PWs) bands (ev): -37.7796 -37.7796 -37.7788 -37.7788 -3.8274 -3.8274 -2.9820 -2.9820 3.1493 3.1493 3.2743 3.2743 3.9760 3.9760 4.1153 4.1153 4.8194 4.8194 5.2237 5.2237 5.4101 5.4101 6.6952 6.6952 7.2684 7.2684 7.2998 7.2998 7.4592 7.4592 7.7237 7.7237 8.0774 8.0774 8.8382 8.8382 9.2060 9.2060 9.9840 9.9840 k = 0.0000 0.1860 0.3064 ( 9762 PWs) bands (ev): -37.7796 -37.7796 -37.7788 -37.7788 -3.8025 -3.8025 -2.9719 -2.9719 3.1503 3.1503 3.2575 3.2575 3.9883 3.9883 4.1334 4.1334 4.7615 4.7615 5.2418 5.2418 5.3989 5.3989 6.6673 6.6673 7.2497 7.2497 7.2896 7.2896 7.4286 7.4286 7.6956 7.6956 8.1243 8.1243 8.8551 8.8551 9.1614 9.1614 9.9885 9.9885 k = 0.0000 0.1977 0.3064 ( 9754 PWs) bands (ev): -37.7795 -37.7795 -37.7788 -37.7788 -3.7764 -3.7764 -2.9616 -2.9616 3.1490 3.1490 3.2378 3.2378 4.0035 4.0035 4.1524 4.1524 4.7067 4.7067 5.2611 5.2611 5.3870 5.3870 6.6404 6.6404 7.2166 7.2166 7.2893 7.2893 7.3962 7.3962 7.6660 7.6660 8.1736 8.1736 8.8734 8.8734 9.1210 9.1210 9.9929 9.9929 k = 0.0000 0.2093 0.3064 ( 9754 PWs) bands (ev): -37.7795 -37.7795 -37.7787 -37.7787 -3.7491 -3.7491 -2.9512 -2.9512 3.1449 3.1449 3.2153 3.2153 4.0216 4.0216 4.1723 4.1723 4.6557 4.6557 5.2814 5.2814 5.3746 5.3746 6.6145 6.6145 7.1800 7.1800 7.2883 7.2883 7.3623 7.3623 7.6351 7.6351 8.2249 8.2249 8.8930 8.8930 9.0849 9.0849 9.9971 9.9971 k = 0.0000 0.2209 0.3064 ( 9772 PWs) bands (ev): -37.7795 -37.7795 -37.7787 -37.7787 -3.7206 -3.7206 -2.9409 -2.9409 3.1377 3.1377 3.1903 3.1903 4.0423 4.0423 4.1930 4.1930 4.6092 4.6092 5.3024 5.3024 5.3619 5.3619 6.5898 6.5898 7.1417 7.1417 7.2851 7.2851 7.3268 7.3268 7.6029 7.6029 8.2780 8.2780 8.9136 8.9136 9.0531 9.0531 10.0010 10.0010 k = 0.0000 0.2326 0.3064 ( 9770 PWs) bands (ev): -37.7794 -37.7794 -37.7787 -37.7787 -3.6911 -3.6911 -2.9306 -2.9306 3.1269 3.1269 3.1630 3.1630 4.0655 4.0655 4.2145 4.2145 4.5679 4.5679 5.3215 5.3215 5.3516 5.3516 6.5664 6.5664 7.1024 7.1024 7.2795 7.2795 7.2898 7.2898 7.5695 7.5695 8.3325 8.3325 8.9350 8.9350 9.0259 9.0259 10.0044 10.0044 k = 0.0000 0.2442 0.3064 ( 9762 PWs) bands (ev): -37.7794 -37.7794 -37.7787 -37.7787 -3.6607 -3.6607 -2.9206 -2.9206 3.1122 3.1122 3.1338 3.1338 4.0911 4.0911 4.2368 4.2368 4.5323 4.5323 5.3236 5.3236 5.3589 5.3589 6.5444 6.5444 7.0625 7.0625 7.2513 7.2513 7.2716 7.2716 7.5351 7.5351 8.3881 8.3881 8.9553 8.9553 9.0051 9.0051 10.0072 10.0072 k = 0.0000 0.2558 0.3064 ( 9766 PWs) bands (ev): -37.7793 -37.7793 -37.7786 -37.7786 -3.6294 -3.6294 -2.9109 -2.9109 3.0928 3.0928 3.1038 3.1038 4.1186 4.1186 4.2598 4.2598 4.5027 4.5027 5.3106 5.3106 5.3817 5.3817 6.5239 6.5239 7.0224 7.0224 7.2116 7.2116 7.2613 7.2613 7.4997 7.4997 8.4444 8.4444 8.9636 8.9636 9.0012 9.0012 10.0094 10.0094 k = 0.0000 0.2674 0.3064 ( 9766 PWs) bands (ev): -37.7793 -37.7793 -37.7786 -37.7786 -3.5973 -3.5973 -2.9017 -2.9017 3.0660 3.0660 3.0760 3.0760 4.1478 4.1478 4.2834 4.2834 4.4794 4.4794 5.2946 5.2946 5.4080 5.4080 6.5049 6.5049 6.9823 6.9823 7.1706 7.1706 7.2489 7.2489 7.4635 7.4635 8.5011 8.5011 8.9538 8.9538 9.0203 9.0203 10.0108 10.0108 k = 0.0000 0.2791 0.3064 ( 9766 PWs) bands (ev): -37.7792 -37.7792 -37.7786 -37.7786 -3.5645 -3.5645 -2.8929 -2.8929 3.0335 3.0335 3.0491 3.0491 4.1786 4.1786 4.3076 4.3076 4.4622 4.4622 5.2773 5.2773 5.4361 5.4361 6.4874 6.4874 6.9426 6.9426 7.1284 7.1284 7.2345 7.2345 7.4266 7.4266 8.5578 8.5578 8.9416 8.9416 9.0464 9.0464 10.0112 10.0112 k = 0.0000 0.2907 0.3064 ( 9776 PWs) bands (ev): -37.7792 -37.7792 -37.7786 -37.7786 -3.5312 -3.5312 -2.8849 -2.8849 2.9993 2.9993 3.0201 3.0201 4.2104 4.2104 4.3323 4.3323 4.4510 4.4510 5.2592 5.2592 5.4657 5.4657 6.4716 6.4716 6.9035 6.9035 7.0852 7.0852 7.2182 7.2182 7.3891 7.3891 8.6140 8.6140 8.9314 8.9314 9.0750 9.0750 10.0107 10.0107 k = 0.0000 0.3023 0.3064 ( 9780 PWs) bands (ev): -37.7791 -37.7791 -37.7786 -37.7786 -3.4974 -3.4974 -2.8777 -2.8777 2.9643 2.9643 2.9886 2.9886 4.2432 4.2432 4.3574 4.3574 4.4454 4.4454 5.2402 5.2402 5.4966 5.4966 6.4573 6.4573 6.8653 6.8653 7.0410 7.0410 7.2003 7.2003 7.3513 7.3513 8.6693 8.6693 8.9238 8.9238 9.1052 9.1052 10.0089 10.0089 k = 0.0000 0.3140 0.3064 ( 9780 PWs) bands (ev): -37.7791 -37.7791 -37.7786 -37.7786 -3.4632 -3.4632 -2.8714 -2.8714 2.9291 2.9291 2.9550 2.9550 4.2765 4.2765 4.3827 4.3827 4.4451 4.4451 5.2204 5.2204 5.5289 5.5289 6.4447 6.4447 6.8281 6.8281 6.9959 6.9959 7.1808 7.1808 7.3133 7.3133 8.7232 8.7232 8.9187 8.9187 9.1367 9.1367 10.0058 10.0058 k = 0.0000 0.3256 0.3064 ( 9776 PWs) bands (ev): -37.7790 -37.7790 -37.7785 -37.7785 -3.4288 -3.4288 -2.8661 -2.8661 2.8940 2.8940 2.9201 2.9201 4.3101 4.3101 4.4080 4.4080 4.4497 4.4497 5.1999 5.1999 5.5625 5.5625 6.4338 6.4338 6.7922 6.7922 6.9501 6.9501 7.1601 7.1601 7.2754 7.2754 8.7753 8.7753 8.9163 8.9163 9.1694 9.1694 10.0014 10.0014 k = 0.0000 0.3372 0.3064 ( 9772 PWs) bands (ev): -37.7790 -37.7790 -37.7785 -37.7785 -3.3943 -3.3943 -2.8620 -2.8620 2.8594 2.8594 2.8844 2.8844 4.3436 4.3436 4.4325 4.4325 4.4593 4.4593 5.1787 5.1787 5.5973 5.5973 6.4245 6.4245 6.7576 6.7576 6.9036 6.9036 7.1383 7.1383 7.2377 7.2377 8.8247 8.8247 8.9164 8.9164 9.2032 9.2032 9.9953 9.9953 k = 0.0000 0.3488 0.3064 ( 9768 PWs) bands (ev): -37.7789 -37.7789 -37.7785 -37.7785 -3.3599 -3.3599 -2.8592 -2.8592 2.8255 2.8255 2.8486 2.8486 4.3767 4.3767 4.4543 4.4543 4.4752 4.4752 5.1569 5.1569 5.6334 5.6334 6.4169 6.4169 6.7244 6.7244 6.8566 6.8566 7.1157 7.1157 7.2006 7.2006 8.8705 8.8705 8.9194 8.9194 9.2379 9.2379 9.9876 9.9876 k = 0.0000 0.3605 0.3064 ( 9784 PWs) bands (ev): -37.7789 -37.7789 -37.7785 -37.7785 -3.3256 -3.3256 -2.8578 -2.8578 2.7926 2.7926 2.8132 2.8132 4.4091 4.4091 4.4724 4.4724 4.4975 4.4975 5.1345 5.1345 5.6707 5.6707 6.4110 6.4110 6.6927 6.6927 6.8094 6.8094 7.0925 7.0925 7.1642 7.1642 8.9083 8.9083 8.9290 8.9290 9.2734 9.2734 9.9781 9.9781 k = 0.0000 0.3721 0.3064 ( 9796 PWs) bands (ev): -37.7789 -37.7789 -37.7785 -37.7785 -3.2916 -3.2916 -2.8578 -2.8578 2.7611 2.7611 2.7789 2.7789 4.4404 4.4404 4.4894 4.4894 4.5232 4.5232 5.1114 5.1114 5.7091 5.7091 6.4066 6.4066 6.6623 6.6623 6.7623 6.7623 7.0689 7.0689 7.1290 7.1290 8.9241 8.9241 8.9585 8.9585 9.3096 9.3096 9.9667 9.9667 k = 0.0000 0.3837 0.3064 ( 9792 PWs) bands (ev): -37.7788 -37.7788 -37.7785 -37.7785 -3.2580 -3.2580 -2.8595 -2.8595 2.7312 2.7312 2.7462 2.7462 4.4702 4.4702 4.5066 4.5066 4.5500 4.5500 5.0878 5.0878 5.7487 5.7487 6.4038 6.4038 6.6328 6.6328 6.7158 6.7158 7.0453 7.0453 7.0952 7.0952 8.9333 8.9333 8.9917 8.9917 9.3464 9.3464 9.9533 9.9533 k = 0.0000 0.3953 0.3064 ( 9780 PWs) bands (ev): -37.7788 -37.7788 -37.7785 -37.7785 -3.2251 -3.2251 -2.8628 -2.8628 2.7031 2.7031 2.7154 2.7154 4.4984 4.4984 4.5242 4.5242 4.5774 4.5774 5.0637 5.0637 5.7894 5.7894 6.4024 6.4024 6.6033 6.6033 6.6711 6.6711 7.0220 7.0220 7.0632 7.0632 8.9432 8.9432 9.0208 9.0208 9.3836 9.3836 9.9380 9.9380 k = 0.0000 0.4070 0.3064 ( 9784 PWs) bands (ev): -37.7787 -37.7787 -37.7785 -37.7785 -3.1928 -3.1928 -2.8679 -2.8679 2.6771 2.6771 2.6871 2.6871 4.5244 4.5244 4.5417 4.5417 4.6051 4.6051 5.0390 5.0390 5.8311 5.8311 6.4023 6.4023 6.5720 6.5720 6.6302 6.6302 6.9994 6.9994 7.0333 7.0333 8.9543 8.9543 9.0449 9.0449 9.4211 9.4211 9.9206 9.9206 k = 0.0000 0.4186 0.3064 ( 9776 PWs) bands (ev): -37.7787 -37.7787 -37.7785 -37.7785 -3.1614 -3.1614 -2.8748 -2.8748 2.6536 2.6536 2.6614 2.6614 4.5480 4.5480 4.5588 4.5588 4.6330 4.6330 5.0140 5.0140 5.8738 5.8738 6.4030 6.4030 6.5366 6.5366 6.5958 6.5958 6.9780 6.9780 7.0057 7.0057 8.9665 8.9665 9.0636 9.0636 9.4588 9.4588 9.9011 9.9011 k = 0.0000 0.4302 0.3064 ( 9764 PWs) bands (ev): -37.7787 -37.7787 -37.7785 -37.7785 -3.1310 -3.1310 -2.8836 -2.8836 2.6326 2.6326 2.6387 2.6387 4.5689 4.5689 4.5749 4.5749 4.6610 4.6610 4.9884 4.9884 5.9175 5.9175 6.4030 6.4030 6.4978 6.4978 6.5686 6.5686 6.9582 6.9582 6.9809 6.9809 8.9798 8.9798 9.0768 9.0768 9.4963 9.4963 9.8795 9.8795 k = 0.0000 0.4419 0.3064 ( 9768 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.1017 -3.1017 -2.8943 -2.8943 2.6144 2.6144 2.6191 2.6191 4.5867 4.5867 4.5899 4.5899 4.6890 4.6890 4.9625 4.9625 5.9620 5.9620 6.3976 6.3976 6.4626 6.4626 6.5463 6.5463 6.9406 6.9406 6.9590 6.9590 8.9938 8.9938 9.0848 9.0848 9.5337 9.5337 9.8560 9.8560 k = 0.0000 0.4535 0.3064 ( 9778 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0736 -3.0736 -2.9069 -2.9069 2.5994 2.5994 2.6029 2.6029 4.6011 4.6011 4.6032 4.6032 4.7170 4.7170 4.9362 4.9362 6.0074 6.0074 6.3744 6.3744 6.4449 6.4449 6.5273 6.5273 6.9257 6.9257 6.9403 6.9403 9.0082 9.0082 9.0879 9.0879 9.5707 9.5707 9.8305 9.8305 k = 0.0000 0.4651 0.3064 ( 9780 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0470 -3.0470 -2.9214 -2.9214 2.5875 2.5875 2.5901 2.5901 4.6122 4.6122 4.6142 4.6142 4.7449 4.7449 4.9096 4.9096 6.0534 6.0534 6.3346 6.3346 6.4443 6.4443 6.5106 6.5106 6.9140 6.9140 6.9251 6.9251 9.0228 9.0228 9.0866 9.0866 9.6071 9.6071 9.8031 9.8031 k = 0.0000 0.4767 0.3064 ( 9780 PWs) bands (ev): -37.7786 -37.7786 -37.7785 -37.7785 -3.0218 -3.0218 -2.9379 -2.9379 2.5791 2.5791 2.5808 2.5808 4.6205 4.6205 4.6222 4.6222 4.7728 4.7728 4.8827 4.8827 6.1001 6.1001 6.2892 6.2892 6.4503 6.4503 6.4956 6.4956 6.9059 6.9059 6.9134 6.9134 9.0371 9.0371 9.0817 9.0817 9.6427 9.6427 9.7739 9.7739 k = 0.0000 0.4884 0.3064 ( 9784 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9982 -2.9982 -2.9562 -2.9562 2.5741 2.5741 2.5750 2.5750 4.6258 4.6258 4.6267 4.6267 4.8006 4.8006 4.8555 4.8555 6.1472 6.1472 6.2421 6.2421 6.4592 6.4592 6.4820 6.4820 6.9017 6.9017 6.9055 6.9055 9.0507 9.0507 9.0736 9.0736 9.6774 9.6774 9.7432 9.7432 k = 0.0000 0.5000 0.3064 ( 9776 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9763 -2.9763 -2.9763 -2.9763 2.5727 2.5727 2.5727 2.5727 4.6279 4.6279 4.6279 4.6279 4.8282 4.8282 4.8282 4.8282 6.1947 6.1947 6.1947 6.1947 6.4699 6.4699 6.4699 6.4699 6.9016 6.9016 6.9016 6.9016 9.0630 9.0630 9.0630 9.0630 9.7109 9.7109 9.7109 9.7109 k = 0.0000 0.5000 0.3064 ( 9776 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9763 -2.9763 -2.9763 -2.9763 2.5727 2.5727 2.5727 2.5727 4.6279 4.6279 4.6279 4.6279 4.8282 4.8282 4.8282 4.8282 6.1947 6.1947 6.1947 6.1947 6.4699 6.4699 6.4699 6.4699 6.9016 6.9016 6.9016 6.9016 9.0630 9.0630 9.0630 9.0630 9.7109 9.7109 9.7109 9.7109 k = 0.0116 0.5000 0.3064 ( 9780 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9757 -2.9757 -2.9754 -2.9754 2.5729 2.5729 2.5732 2.5732 4.6238 4.6238 4.6278 4.6278 4.8266 4.8266 4.8313 4.8313 6.1893 6.1893 6.1957 6.1957 6.4672 6.4672 6.4762 6.4762 6.9012 6.9012 6.9027 6.9027 9.0529 9.0529 9.0594 9.0594 9.7069 9.7069 9.7150 9.7150 k = 0.0233 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9734 -2.9734 -2.9729 -2.9729 2.5735 2.5735 2.5741 2.5741 4.6158 4.6158 4.6234 4.6234 4.8270 4.8270 4.8359 4.8359 6.1802 6.1802 6.1922 6.1922 6.4682 6.4682 6.4855 6.4855 6.9016 6.9016 6.9045 6.9045 9.0298 9.0298 9.0423 9.0423 9.7030 9.7030 9.7186 9.7186 k = 0.0349 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9696 -2.9696 -2.9689 -2.9689 2.5747 2.5747 2.5756 2.5756 4.6043 4.6043 4.6147 4.6147 4.8290 4.8290 4.8417 4.8417 6.1679 6.1679 6.1846 6.1846 6.4727 6.4727 6.4970 6.4970 6.9027 6.9027 6.9070 6.9070 8.9951 8.9951 9.0126 9.0126 9.6989 9.6989 9.7209 9.7209 k = 0.0465 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9643 -2.9643 -2.9633 -2.9633 2.5764 2.5764 2.5776 2.5776 4.5895 4.5895 4.6022 4.6022 4.8327 4.8327 4.8482 4.8482 6.1533 6.1533 6.1735 6.1735 6.4798 6.4798 6.5100 6.5100 6.9048 6.9048 6.9103 6.9103 8.9502 8.9502 8.9719 8.9719 9.6939 9.6939 9.7212 9.7212 k = 0.0581 0.5000 0.3064 ( 9812 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9574 -2.9574 -2.9561 -2.9561 2.5785 2.5785 2.5800 2.5800 4.5718 4.5718 4.5860 4.5860 4.8378 4.8378 4.8554 4.8554 6.1369 6.1369 6.1595 6.1595 6.4888 6.4888 6.5234 6.5234 6.9077 6.9077 6.9142 6.9142 8.8972 8.8972 8.9219 8.9219 9.6875 9.6875 9.7188 9.7188 k = 0.0698 0.5000 0.3064 ( 9804 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9490 -2.9490 -2.9475 -2.9475 2.5810 2.5810 2.5828 2.5828 4.5515 4.5515 4.5666 4.5666 4.8440 4.8440 4.8631 4.8631 6.1193 6.1193 6.1435 6.1435 6.4987 6.4987 6.5366 6.5366 6.9117 6.9117 6.9188 6.9188 8.8377 8.8377 8.8647 8.8647 9.6790 9.6790 9.7134 9.7134 k = 0.0814 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9391 -2.9391 -2.9373 -2.9373 2.5838 2.5838 2.5859 2.5859 4.5289 4.5289 4.5443 4.5443 4.8512 4.8512 4.8712 4.8712 6.1009 6.1009 6.1259 6.1259 6.5088 6.5088 6.5488 6.5488 6.9167 6.9167 6.9242 6.9242 8.7732 8.7732 8.8020 8.8020 9.6682 9.6682 9.7048 9.7048 k = 0.0930 0.5000 0.3064 ( 9808 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9277 -2.9277 -2.9257 -2.9257 2.5868 2.5868 2.5892 2.5892 4.5040 4.5040 4.5196 4.5196 4.8591 4.8591 4.8797 4.8797 6.0820 6.0820 6.1074 6.1074 6.5181 6.5181 6.5595 6.5595 6.9231 6.9231 6.9305 6.9305 8.7054 8.7054 8.7354 8.7354 9.6547 9.6547 9.6928 9.6928 k = 0.1047 0.5000 0.3064 ( 9808 PWs) bands (ev): -37.7785 -37.7785 -37.7784 -37.7784 -2.9149 -2.9149 -2.9127 -2.9127 2.5898 2.5898 2.5925 2.5925 4.4773 4.4773 4.4927 4.4927 4.8677 4.8677 4.8886 4.8886 6.0629 6.0629 6.0884 6.0884 6.5262 6.5262 6.5679 6.5679 6.9308 6.9308 6.9376 6.9376 8.6353 8.6353 8.6663 8.6663 9.6386 9.6386 9.6778 9.6778 k = 0.1163 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.9007 -2.9007 -2.8983 -2.8983 2.5928 2.5928 2.5958 2.5958 4.4489 4.4489 4.4639 4.4639 4.8770 4.8770 4.8979 4.8979 6.0437 6.0437 6.0690 6.0690 6.5325 6.5325 6.5737 6.5737 6.9401 6.9401 6.9456 6.9456 8.5640 8.5640 8.5958 8.5958 9.6199 9.6199 9.6598 9.6598 k = 0.1279 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.8851 -2.8851 -2.8825 -2.8825 2.5956 2.5956 2.5989 2.5989 4.4190 4.4190 4.4336 4.4336 4.8869 4.8869 4.9076 4.9076 6.0246 6.0246 6.0496 6.0496 6.5363 6.5363 6.5763 6.5763 6.9508 6.9508 6.9547 6.9547 8.4926 8.4926 8.5251 8.5251 9.5989 9.5989 9.6393 9.6393 k = 0.1395 0.5000 0.3064 ( 9800 PWs) bands (ev): -37.7784 -37.7784 -37.7784 -37.7784 -2.8682 -2.8682 -2.8654 -2.8654 2.5981 2.5981 2.6017 2.6017 4.3879 4.3879 4.4019 4.4019 4.8974 4.8974 4.9177 4.9177 6.0059 6.0059 6.0303 6.0303 6.5374 6.5374 6.5756 6.5756 6.9631 6.9631 6.9648 6.9648 8.4217 8.4217 8.4548 8.4548 9.5759 9.5759 9.6164 9.6164 k = 0.1512 0.5000 0.3064 ( 9804 PWs) bands (ev): -37.7784 -37.7784 -37.7783 -37.7783 -2.8501 -2.8501 -2.8471 -2.8471 2.6001 2.6001 2.6039 2.6039 4.3559 4.3559 4.3694 4.3694 4.9085 4.9085 4.9284 4.9284 5.9875 5.9875 6.0113 6.0113 6.5355 6.5355 6.5712 6.5712 6.9759 6.9759 6.9769 6.9769 8.3519 8.3519 8.3856 8.3856 9.5510 9.5510 9.5916 9.5916 k = 0.1628 0.5000 0.3064 ( 9796 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.8308 -2.8308 -2.8276 -2.8276 2.6013 2.6013 2.6054 2.6054 4.3233 4.3233 4.3361 4.3361 4.9202 4.9202 4.9396 4.9396 5.9696 5.9696 5.9927 5.9927 6.5303 6.5303 6.5632 6.5632 6.9880 6.9880 6.9918 6.9918 8.2838 8.2838 8.3180 8.3180 9.5247 9.5247 9.5652 9.5652 k = 0.1744 0.5000 0.3064 ( 9792 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.8104 -2.8104 -2.8070 -2.8070 2.6016 2.6016 2.6059 2.6059 4.2903 4.2903 4.3026 4.3026 4.9326 4.9326 4.9515 4.9515 5.9523 5.9523 5.9746 5.9746 6.5218 6.5218 6.5517 6.5517 7.0009 7.0009 7.0077 7.0077 8.2177 8.2177 8.2525 8.2525 9.4972 9.4972 9.5375 9.5375 k = 0.1860 0.5000 0.3064 ( 9788 PWs) bands (ev): -37.7783 -37.7783 -37.7783 -37.7783 -2.7889 -2.7889 -2.7854 -2.7854 2.6009 2.6009 2.6054 2.6054 4.2574 4.2574 4.2691 4.2691 4.9456 4.9456 4.9639 4.9639 5.9357 5.9357 5.9572 5.9572 6.5100 6.5100 6.5369 6.5369 7.0145 7.0145 7.0242 7.0242 8.1538 8.1538 8.1892 8.1892 9.4690 9.4690 9.5090 9.5090 k = 0.1977 0.5000 0.3064 ( 9784 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7664 -2.7664 -2.7628 -2.7628 2.5988 2.5988 2.6035 2.6035 4.2248 4.2248 4.2360 4.2360 4.9593 4.9593 4.9769 4.9769 5.9197 5.9197 5.9404 5.9404 6.4951 6.4951 6.5189 6.5189 7.0285 7.0285 7.0411 7.0411 8.0924 8.0924 8.1283 8.1283 9.4402 9.4402 9.4798 9.4798 k = 0.2093 0.5000 0.3064 ( 9792 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7431 -2.7431 -2.7393 -2.7393 2.5951 2.5951 2.6000 2.6000 4.1930 4.1930 4.2036 4.2036 4.9738 4.9738 4.9907 4.9907 5.9046 5.9046 5.9243 5.9243 6.4773 6.4773 6.4981 6.4981 7.0426 7.0426 7.0580 7.0580 8.0335 8.0335 8.0700 8.0700 9.4114 9.4114 9.4505 9.4505 k = 0.2209 0.5000 0.3064 ( 9792 PWs) bands (ev): -37.7782 -37.7782 -37.7782 -37.7782 -2.7190 -2.7190 -2.7151 -2.7151 2.5898 2.5898 2.5949 2.5949 4.1621 4.1621 4.1723 4.1723 4.9889 4.9889 5.0052 5.0052 5.8902 5.8902 5.9091 5.9091 6.4568 6.4568 6.4747 6.4747 7.0566 7.0566 7.0745 7.0745 7.9772 7.9772 8.0141 8.0141 9.3827 9.3827 9.4212 9.4212 k = 0.2326 0.5000 0.3064 ( 9792 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.6941 -2.6941 -2.6902 -2.6902 2.5826 2.5826 2.5878 2.5878 4.1326 4.1326 4.1423 4.1423 5.0048 5.0048 5.0203 5.0203 5.8768 5.8768 5.8946 5.8946 6.4341 6.4341 6.4492 6.4492 7.0701 7.0701 7.0904 7.0904 7.9236 7.9236 7.9608 7.9608 9.3544 9.3544 9.3922 9.3922 k = 0.2442 0.5000 0.3064 ( 9780 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.6687 -2.6687 -2.6647 -2.6647 2.5734 2.5734 2.5787 2.5787 4.1047 4.1047 4.1140 4.1140 5.0215 5.0215 5.0362 5.0362 5.8641 5.8641 5.8811 5.8811 6.4094 6.4094 6.4219 6.4219 7.0828 7.0828 7.1051 7.1051 7.8726 7.8726 7.9101 7.9101 9.3268 9.3268 9.3638 9.3638 k = 0.2558 0.5000 0.3064 ( 9764 PWs) bands (ev): -37.7781 -37.7781 -37.7781 -37.7781 -2.6428 -2.6428 -2.6387 -2.6387 2.5621 2.5621 2.5675 2.5675 4.0788 4.0788 4.0876 4.0876 5.0390 5.0390 5.0529 5.0529 5.8525 5.8525 5.8684 5.8684 6.3831 6.3831 6.3932 6.3932 7.0943 7.0943 7.1184 7.1184 7.8243 7.8243 7.8619 7.8619 9.3002 9.3002 9.3363 9.3363 k = 0.2674 0.5000 0.3064 ( 9764 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.6166 -2.6166 -2.6124 -2.6124 2.5486 2.5486 2.5541 2.5541 4.0548 4.0548 4.0633 4.0633 5.0572 5.0572 5.0704 5.0704 5.8417 5.8417 5.8566 5.8566 6.3556 6.3556 6.3634 6.3634 7.1043 7.1043 7.1299 7.1299 7.7788 7.7788 7.8163 7.8163 9.2748 9.2748 9.3098 9.3098 k = 0.2791 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.5901 -2.5901 -2.5859 -2.5859 2.5330 2.5330 2.5385 2.5385 4.0332 4.0332 4.0412 4.0412 5.0762 5.0762 5.0886 5.0886 5.8319 5.8319 5.8458 5.8458 6.3272 6.3272 6.3328 6.3328 7.1123 7.1123 7.1389 7.1389 7.7363 7.7363 7.7734 7.7734 9.2506 9.2506 9.2845 9.2845 k = 0.2907 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7780 -37.7780 -37.7780 -37.7780 -2.5635 -2.5635 -2.5594 -2.5594 2.5154 2.5154 2.5209 2.5209 4.0138 4.0138 4.0215 4.0215 5.0960 5.0960 5.1075 5.1075 5.8230 5.8230 5.8359 5.8359 6.2982 6.2982 6.3018 6.3018 7.1179 7.1179 7.1451 7.1451 7.6971 7.6971 7.7334 7.7334 9.2279 9.2279 9.2605 9.2605 k = 0.3023 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7779 -37.7779 -37.7779 -37.7779 -2.5370 -2.5370 -2.5329 -2.5329 2.4959 2.4959 2.5014 2.5014 3.9969 3.9969 4.0041 4.0041 5.1165 5.1165 5.1271 5.1271 5.8151 5.8151 5.8269 5.8269 6.2690 6.2690 6.2706 6.2706 7.1207 7.1207 7.1480 7.1480 7.6616 7.6616 7.6967 7.6967 9.2067 9.2067 9.2379 9.2379 k = 0.3140 0.5000 0.3064 ( 9756 PWs) bands (ev): -37.7779 -37.7779 -37.7779 -37.7779 -2.5107 -2.5107 -2.5067 -2.5067 2.4747 2.4747 2.4801 2.4801 3.9822 3.9822 3.9891 3.9891 5.1378 5.1378 5.1475 5.1475 5.8081 5.8081 5.8188 5.8188 6.2396 6.2396 6.2398 6.2398 7.1201 7.1201 7.1469 7.1469 7.6301 7.6301 7.6634 7.6634 9.1872 9.1872 9.2168 9.2168 k = 0.3256 0.5000 0.3064 ( 9748 PWs) bands (ev): -37.7779 -37.7779 -37.7779 -37.7779 -2.4848 -2.4848 -2.4808 -2.4808 2.4521 2.4521 2.4574 2.4574 3.9698 3.9698 3.9764 3.9764 5.1596 5.1596 5.1684 5.1684 5.8020 5.8020 5.8117 5.8117 6.2090 6.2090 6.2108 6.2108 7.1159 7.1159 7.1415 7.1415 7.6029 7.6029 7.6340 7.6340 9.1692 9.1692 9.1973 9.1973 k = 0.3372 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7779 -37.7779 -37.7778 -37.7778 -2.4594 -2.4594 -2.4555 -2.4555 2.4284 2.4284 2.4336 2.4336 3.9595 3.9595 3.9657 3.9657 5.1820 5.1820 5.1899 5.1899 5.7968 5.7968 5.8054 5.8054 6.1791 6.1791 6.1824 6.1824 7.1078 7.1078 7.1317 7.1317 7.5804 7.5804 7.6087 7.6087 9.1529 9.1529 9.1793 9.1793 k = 0.3488 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.4347 -2.4347 -2.4310 -2.4310 2.4041 2.4041 2.4091 2.4091 3.9511 3.9511 3.9569 3.9569 5.2049 5.2049 5.2119 5.2119 5.7924 5.7924 5.7999 5.7999 6.1499 6.1499 6.1546 6.1546 7.0958 7.0958 7.1174 7.1174 7.5625 7.5625 7.5875 7.5875 9.1382 9.1382 9.1629 9.1629 k = 0.3605 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.4109 -2.4109 -2.4073 -2.4073 2.3794 2.3794 2.3842 2.3842 3.9445 3.9445 3.9500 3.9500 5.2280 5.2280 5.2341 5.2341 5.7889 5.7889 5.7953 5.7953 6.1217 6.1217 6.1277 6.1277 7.0801 7.0801 7.0992 7.0992 7.5488 7.5488 7.5704 7.5704 9.1250 9.1250 9.1479 9.1479 k = 0.3721 0.5000 0.3064 ( 9772 PWs) bands (ev): -37.7778 -37.7778 -37.7778 -37.7778 -2.3882 -2.3882 -2.3847 -2.3847 2.3548 2.3548 2.3593 2.3593 3.9395 3.9395 3.9445 3.9445 5.2513 5.2513 5.2564 5.2564 5.7862 5.7862 5.7915 5.7915 6.0947 6.0947 6.1018 6.1018 7.0613 7.0613 7.0778 7.0778 7.5390 7.5390 7.5571 7.5571 9.1134 9.1134 9.1345 9.1345 k = 0.3837 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.3666 -2.3666 -2.3634 -2.3634 2.3307 2.3307 2.3350 2.3350 3.9357 3.9357 3.9403 3.9403 5.2744 5.2744 5.2787 5.2787 5.7842 5.7842 5.7884 5.7884 6.0689 6.0689 6.0771 6.0771 7.0402 7.0402 7.0540 7.0540 7.5322 7.5322 7.5470 7.5470 9.1032 9.1032 9.1224 9.1224 k = 0.3953 0.5000 0.3064 ( 9756 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3464 -2.3464 -2.3435 -2.3435 2.3075 2.3075 2.3115 2.3115 3.9330 3.9330 3.9372 3.9372 5.2972 5.2972 5.3007 5.3007 5.7828 5.7828 5.7860 5.7860 6.0447 6.0447 6.0536 6.0536 7.0175 7.0175 7.0290 7.0290 7.5278 7.5278 7.5398 7.5398 9.0944 9.0944 9.1117 9.1117 k = 0.4070 0.5000 0.3064 ( 9760 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3279 -2.3279 -2.3251 -2.3251 2.2856 2.2856 2.2892 2.2892 3.9313 3.9313 3.9350 3.9350 5.3194 5.3194 5.3221 5.3221 5.7821 5.7821 5.7842 5.7842 6.0221 6.0221 6.0316 6.0316 6.9942 6.9942 7.0037 7.0037 7.5252 7.5252 7.5347 7.5347 9.0869 9.0869 9.1022 9.1022 k = 0.4186 0.5000 0.3064 ( 9764 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3110 -2.3110 -2.3086 -2.3086 2.2654 2.2654 2.2686 2.2686 3.9302 3.9302 3.9335 3.9335 5.3405 5.3405 5.3425 5.3425 5.7818 5.7818 5.7829 5.7829 6.0014 6.0014 6.0111 6.0111 6.9712 6.9712 6.9790 6.9790 7.5239 7.5239 7.5312 7.5312 9.0805 9.0805 9.0940 9.0940 k = 0.4302 0.5000 0.3064 ( 9764 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2960 -2.2960 -2.2939 -2.2939 2.2472 2.2472 2.2500 2.2500 3.9297 3.9297 3.9326 3.9326 5.3602 5.3602 5.3616 5.3616 5.7819 5.7819 5.7822 5.7822 5.9827 5.9827 5.9924 5.9924 6.9494 6.9494 6.9557 6.9557 7.5235 7.5235 7.5291 7.5291 9.0754 9.0754 9.0869 9.0869 k = 0.4419 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2830 -2.2830 -2.2812 -2.2812 2.2312 2.2312 2.2336 2.2336 3.9295 3.9295 3.9320 3.9320 5.3781 5.3781 5.3789 5.3789 5.7819 5.7819 5.7823 5.7823 5.9663 5.9663 5.9756 5.9756 6.9296 6.9296 6.9345 6.9345 7.5236 7.5236 7.5277 7.5277 9.0713 9.0713 9.0809 9.0809 k = 0.4535 0.5000 0.3064 ( 9772 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2722 -2.2722 -2.2707 -2.2707 2.2179 2.2179 2.2198 2.2198 3.9296 3.9296 3.9316 3.9316 5.3936 5.3936 5.3940 5.3940 5.7819 5.7819 5.7828 5.7828 5.9526 5.9526 5.9610 5.9610 6.9124 6.9124 6.9162 6.9162 7.5240 7.5240 7.5270 7.5270 9.0682 9.0682 9.0758 9.0758 k = 0.4651 0.5000 0.3064 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2636 -2.2636 -2.2625 -2.2625 2.2073 2.2073 2.2088 2.2088 3.9299 3.9299 3.9314 3.9314 5.4062 5.4062 5.4064 5.4064 5.7822 5.7822 5.7832 5.7832 5.9419 5.9419 5.9487 5.9487 6.8985 6.8985 6.9012 6.9013 7.5245 7.5245 7.5265 7.5265 9.0660 9.0660 9.0718 9.0718 k = 0.4767 0.5000 0.3064 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2574 -2.2574 -2.2566 -2.2566 2.1997 2.1997 2.2007 2.2007 3.9302 3.9302 3.9312 3.9312 5.4157 5.4157 5.4157 5.4157 5.7826 5.7826 5.7836 5.7836 5.9343 5.9343 5.9393 5.9393 6.8883 6.8883 6.8901 6.8901 7.5250 7.5250 7.5263 7.5263 9.0648 9.0648 9.0686 9.0686 k = 0.4884 0.5000 0.3064 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2535 -2.2535 -2.2531 -2.2531 2.1952 2.1952 2.1957 2.1957 3.9305 3.9305 3.9310 3.9310 5.4215 5.4215 5.4215 5.4215 5.7831 5.7831 5.7836 5.7836 5.9303 5.9303 5.9329 5.9329 6.8822 6.8822 6.8831 6.8831 7.5254 7.5254 7.5260 7.5260 9.0644 9.0644 9.0664 9.0664 k = 0.5000 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2521 -2.2521 -2.2521 -2.2521 2.1938 2.1938 2.1938 2.1938 3.9308 3.9308 3.9308 3.9308 5.4234 5.4234 5.4234 5.4234 5.7835 5.7835 5.7835 5.7835 5.9298 5.9298 5.9298 5.9298 6.8805 6.8805 6.8805 6.8805 7.5258 7.5258 7.5258 7.5258 9.0650 9.0650 9.0650 9.0650 k = 0.5000 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2521 -2.2521 -2.2521 -2.2521 2.1938 2.1938 2.1938 2.1938 3.9308 3.9308 3.9308 3.9308 5.4234 5.4234 5.4234 5.4234 5.7835 5.7835 5.7835 5.7835 5.9298 5.9298 5.9298 5.9298 6.8805 6.8805 6.8805 6.8805 7.5258 7.5258 7.5258 7.5258 9.0650 9.0650 9.0650 9.0650 k = 0.4918 0.4918 0.3064 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2539 -2.2539 -2.2528 -2.2528 2.1952 2.1952 2.1957 2.1957 3.9304 3.9304 3.9311 3.9311 5.4208 5.4208 5.4221 5.4221 5.7827 5.7827 5.7840 5.7840 5.9301 5.9301 5.9331 5.9331 6.8810 6.8810 6.8843 6.8843 7.5254 7.5254 7.5261 7.5261 9.0643 9.0643 9.0665 9.0665 k = 0.4836 0.4836 0.3064 ( 9782 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2591 -2.2591 -2.2548 -2.2548 2.1995 2.1995 2.2009 2.2009 3.9293 3.9293 3.9320 3.9320 5.4132 5.4132 5.4182 5.4182 5.7808 5.7808 5.7856 5.7856 5.9328 5.9328 5.9405 5.9405 6.8828 6.8828 6.8956 6.8956 7.5246 7.5246 7.5266 7.5266 9.0640 9.0640 9.0694 9.0694 k = 0.4754 0.4754 0.3064 ( 9770 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.2677 -2.2677 -2.2583 -2.2583 2.2068 2.2068 2.2093 2.2093 3.9276 3.9276 3.9334 3.9334 5.4007 5.4007 5.4119 5.4119 5.7780 5.7780 5.7883 5.7883 5.9378 5.9378 5.9520 5.9520 6.8857 6.8857 6.9142 6.9142 7.5234 7.5234 7.5275 7.5275 9.0637 9.0637 9.0739 9.0739 k = 0.4672 0.4672 0.3064 ( 9766 PWs) bands (ev): -37.7777 -37.7777 -37.7776 -37.7776 -2.2797 -2.2797 -2.2631 -2.2631 2.2171 2.2171 2.2210 2.2210 3.9252 3.9252 3.9353 3.9353 5.3839 5.3839 5.4033 5.4033 5.7748 5.7748 5.7922 5.7922 5.9447 5.9447 5.9668 5.9668 6.8898 6.8898 6.9397 6.9397 7.5216 7.5216 7.5287 7.5287 9.0634 9.0634 9.0803 9.0803 k = 0.4590 0.4590 0.3064 ( 9764 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2950 -2.2950 -2.2693 -2.2693 2.2302 2.2302 2.2359 2.2359 3.9220 3.9220 3.9378 3.9378 5.3631 5.3631 5.3927 5.3927 5.7714 5.7714 5.7976 5.7976 5.9536 5.9536 5.9842 5.9842 6.8950 6.8950 6.9716 6.9716 7.5195 7.5195 7.5304 7.5304 9.0630 9.0630 9.0884 9.0884 k = 0.4508 0.4508 0.3064 ( 9758 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3134 -2.3134 -2.2767 -2.2767 2.2463 2.2463 2.2537 2.2537 3.9179 3.9179 3.9408 3.9408 5.3388 5.3388 5.3806 5.3806 5.7679 5.7679 5.8045 5.8045 5.9644 5.9644 6.0038 6.0038 6.9013 6.9013 7.0094 7.0094 7.5168 7.5168 7.5326 7.5326 9.0626 9.0626 9.0983 9.0983 k = 0.4426 0.4426 0.3064 ( 9762 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3349 -2.3349 -2.2854 -2.2854 2.2653 2.2653 2.2745 2.2745 3.9129 3.9129 3.9442 3.9442 5.3115 5.3115 5.3671 5.3671 5.7644 5.7644 5.8130 5.8130 5.9772 5.9772 6.0251 6.0251 6.9087 6.9087 7.0526 7.0526 7.5138 7.5138 7.5353 7.5353 9.0620 9.0620 9.1101 9.1101 k = 0.4344 0.4344 0.3064 ( 9768 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.3592 -2.3592 -2.2954 -2.2954 2.2871 2.2871 2.2979 2.2979 3.9070 3.9070 3.9481 3.9481 5.2816 5.2816 5.3529 5.3529 5.7608 5.7608 5.8232 5.8232 5.9919 5.9919 6.0477 6.0477 6.9171 6.9171 7.1006 7.1006 7.5102 7.5102 7.5388 7.5388 9.0613 9.0613 9.1238 9.1238 k = 0.4262 0.4262 0.3064 ( 9768 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.3862 -2.3862 -2.3065 -2.3065 2.3117 2.3117 2.3238 2.3238 3.9000 3.9000 3.9524 3.9524 5.2494 5.2494 5.3382 5.3382 5.7569 5.7569 5.8352 5.8352 6.0084 6.0084 6.0715 6.0715 6.9266 6.9266 7.1528 7.1528 7.5063 7.5063 7.5431 7.5431 9.0605 9.0605 9.1393 9.1393 k = 0.4180 0.4180 0.3064 ( 9776 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.4157 -2.4157 -2.3187 -2.3187 2.3392 2.3392 2.3519 2.3519 3.8919 3.8919 3.9571 3.9571 5.2153 5.2153 5.3235 5.3235 5.7528 5.7528 5.8489 5.8489 6.0267 6.0267 6.0964 6.0964 6.9370 6.9370 7.2086 7.2086 7.5019 7.5019 7.5484 7.5484 9.0596 9.0596 9.1566 9.1566 k = 0.4098 0.4098 0.3064 ( 9776 PWs) bands (ev): -37.7778 -37.7778 -37.7777 -37.7777 -2.4475 -2.4475 -2.3320 -2.3320 2.3694 2.3694 2.3821 2.3821 3.8826 3.8826 3.9620 3.9620 5.1795 5.1795 5.3091 5.3091 5.7482 5.7482 5.8642 5.8642 6.0469 6.0469 6.1221 6.1221 6.9484 6.9484 7.2676 7.2676 7.4972 7.4972 7.5548 7.5548 9.0586 9.0586 9.1758 9.1758 k = 0.4016 0.4016 0.3064 ( 9782 PWs) bands (ev): -37.7779 -37.7779 -37.7778 -37.7778 -2.4815 -2.4815 -2.3463 -2.3463 2.4024 2.4024 2.4142 2.4142 3.8721 3.8721 3.9673 3.9673 5.1423 5.1423 5.2954 5.2954 5.7432 5.7432 5.8813 5.8813 6.0688 6.0688 6.1488 6.1488 6.9606 6.9606 7.3291 7.3291 7.4920 7.4920 7.5624 7.5624 9.0574 9.0574 9.1968 9.1968 k = 0.3934 0.3934 0.3064 ( 9788 PWs) bands (ev): -37.7779 -37.7779 -37.7778 -37.7778 -2.5174 -2.5174 -2.3616 -2.3616 2.4379 2.4379 2.4481 2.4481 3.8604 3.8604 3.9728 3.9728 5.1039 5.1039 5.2825 5.2825 5.7374 5.7374 5.8999 5.8999 6.0925 6.0925 6.1763 6.1763 6.9737 6.9737 7.3927 7.3927 7.4866 7.4866 7.5715 7.5715 9.0561 9.0561 9.2195 9.2195 k = 0.3852 0.3852 0.3064 ( 9788 PWs) bands (ev): -37.7779 -37.7779 -37.7778 -37.7778 -2.5551 -2.5551 -2.3777 -2.3777 2.4756 2.4756 2.4838 2.4838 3.8474 3.8474 3.9784 3.9784 5.0644 5.0644 5.2708 5.2708 5.7310 5.7310 5.9200 5.9200 6.1178 6.1178 6.2046 6.2046 6.9876 6.9876 7.4573 7.4573 7.4810 7.4810 7.5826 7.5826 9.0546 9.0546 9.2440 9.2440 k = 0.3770 0.3770 0.3064 ( 9780 PWs) bands (ev): -37.7780 -37.7780 -37.7778 -37.7778 -2.5943 -2.5943 -2.3947 -2.3947 2.5145 2.5145 2.5221 2.5221 3.8331 3.8331 3.9842 3.9842 5.0240 5.0240 5.2604 5.2604 5.7237 5.7237 5.9416 5.9416 6.1448 6.1448 6.2338 6.2338 7.0022 7.0022 7.4745 7.4745 7.5222 7.5222 7.5968 7.5968 9.0529 9.0529 9.2701 9.2701 k = 0.3689 0.3689 0.3064 ( 9776 PWs) bands (ev): -37.7780 -37.7780 -37.7779 -37.7779 -2.6349 -2.6349 -2.4123 -2.4123 2.5529 2.5529 2.5644 2.5644 3.8176 3.8176 3.9900 3.9900 4.9829 4.9829 5.2514 5.2514 5.7157 5.7157 5.9646 5.9646 6.1733 6.1733 6.2638 6.2638 7.0175 7.0175 7.4683 7.4683 7.5794 7.5794 7.6206 7.6206 9.0510 9.0510 9.2978 9.2978 k = 0.3607 0.3607 0.3064 ( 9760 PWs) bands (ev): -37.7780 -37.7780 -37.7779 -37.7779 -2.6767 -2.6767 -2.4307 -2.4307 2.5910 2.5910 2.6103 2.6103 3.8009 3.8009 3.9958 3.9958 4.9413 4.9413 5.2438 5.2438 5.7067 5.7067 5.9889 5.9889 6.2033 6.2033 6.2946 6.2946 7.0335 7.0335 7.4617 7.4617 7.6116 7.6116 7.6716 7.6716 9.0489 9.0489 9.3268 9.3268 k = 0.3525 0.3525 0.3064 ( 9760 PWs) bands (ev): -37.7781 -37.7781 -37.7779 -37.7779 -2.7195 -2.7195 -2.4496 -2.4496 2.6292 2.6292 2.6590 2.6590 3.7830 3.7830 4.0016 4.0016 4.8992 4.8992 5.2378 5.2378 5.6968 5.6968 6.0144 6.0144 6.2347 6.2347 6.3263 6.3263 7.0501 7.0501 7.4549 7.4549 7.6324 7.6324 7.7357 7.7357 9.0466 9.0466 9.3571 9.3571 k = 0.3443 0.3443 0.3064 ( 9764 PWs) bands (ev): -37.7781 -37.7781 -37.7779 -37.7779 -2.7632 -2.7632 -2.4691 -2.4691 2.6676 2.6676 2.7104 2.7104 3.7641 3.7641 4.0072 4.0072 4.8568 4.8568 5.2332 5.2332 5.6859 5.6859 6.0411 6.0411 6.2674 6.2674 6.3587 6.3587 7.0674 7.0674 7.4480 7.4480 7.6529 7.6529 7.8013 7.8013 9.0440 9.0440 9.3886 9.3886 k = 0.3361 0.3361 0.3064 ( 9760 PWs) bands (ev): -37.7782 -37.7782 -37.7779 -37.7779 -2.8075 -2.8075 -2.4890 -2.4890 2.7060 2.7060 2.7642 2.7642 3.7442 3.7442 4.0127 4.0127 4.8142 4.8142 5.2302 5.2302 5.6742 5.6742 6.0689 6.0689 6.3015 6.3015 6.3920 6.3920 7.0853 7.0853 7.4409 7.4409 7.6750 7.6750 7.8661 7.8661 9.0412 9.0412 9.4209 9.4209 k = 0.3279 0.3279 0.3064 ( 9764 PWs) bands (ev): -37.7782 -37.7782 -37.7780 -37.7780 -2.8524 -2.8524 -2.5093 -2.5093 2.7443 2.7443 2.8205 2.8205 3.7233 3.7233 4.0179 4.0179 4.7716 4.7716 5.2286 5.2286 5.6615 5.6615 6.0976 6.0976 6.3366 6.3366 6.4261 6.4261 7.1037 7.1037 7.4338 7.4338 7.6990 7.6990 7.9291 7.9291 9.0381 9.0381 9.4539 9.4539 k = 0.3197 0.3197 0.3064 ( 9760 PWs) bands (ev): -37.7783 -37.7783 -37.7780 -37.7780 -2.8977 -2.8977 -2.5299 -2.5299 2.7822 2.7822 2.8791 2.8791 3.7017 3.7017 4.0229 4.0229 4.7291 4.7291 5.2283 5.2283 5.6479 5.6479 6.1273 6.1273 6.3728 6.3728 6.4609 6.4609 7.1228 7.1228 7.4267 7.4267 7.7252 7.7252 7.9895 7.9895 9.0346 9.0346 9.4874 9.4874 k = 0.3115 0.3115 0.3064 ( 9760 PWs) bands (ev): -37.7783 -37.7783 -37.7780 -37.7780 -2.9432 -2.9432 -2.5508 -2.5508 2.8197 2.8197 2.9400 2.9400 3.6794 3.6794 4.0275 4.0275 4.6867 4.6867 5.2293 5.2293 5.6334 5.6334 6.1579 6.1579 6.4100 6.4100 6.4964 6.4964 7.1424 7.1424 7.4197 7.4197 7.7536 7.7536 8.0467 8.0467 9.0309 9.0309 9.5210 9.5210 k = 0.3033 0.3033 0.3064 ( 9752 PWs) bands (ev): -37.7784 -37.7784 -37.7781 -37.7781 -2.9888 -2.9888 -2.5718 -2.5718 2.8566 2.8566 3.0031 3.0031 3.6565 3.6565 4.0318 4.0318 4.6447 4.6447 5.2315 5.2315 5.6181 5.6181 6.1892 6.1892 6.4480 6.4480 6.5326 6.5326 7.1626 7.1626 7.4128 7.4128 7.7845 7.7845 8.0999 8.0999 9.0268 9.0268 9.5545 9.5545 k = 0.2951 0.2951 0.3064 ( 9768 PWs) bands (ev): -37.7785 -37.7785 -37.7781 -37.7781 -3.0344 -3.0344 -2.5930 -2.5930 2.8928 2.8928 3.0684 3.0684 3.6332 3.6332 4.0357 4.0357 4.6031 4.6031 5.2348 5.2348 5.6021 5.6021 6.2213 6.2213 6.4866 6.4866 6.5693 6.5693 7.1834 7.1834 7.4061 7.4061 7.8177 7.8177 8.1485 8.1485 9.0223 9.0223 9.5877 9.5877 k = 0.2869 0.2869 0.3064 ( 9764 PWs) bands (ev): -37.7785 -37.7785 -37.7781 -37.7781 -3.0798 -3.0798 -2.6142 -2.6142 2.9281 2.9281 3.1356 3.1356 3.6095 3.6095 4.0391 4.0391 4.5620 4.5620 5.2391 5.2391 5.5853 5.5853 6.2539 6.2539 6.5257 6.5257 6.6067 6.6067 7.2048 7.2048 7.3999 7.3999 7.8534 7.8534 8.1919 8.1919 9.0175 9.0175 9.6202 9.6202 k = 0.2787 0.2787 0.3064 ( 9762 PWs) bands (ev): -37.7786 -37.7786 -37.7782 -37.7782 -3.1250 -3.1250 -2.6354 -2.6354 2.9624 2.9624 3.2049 3.2049 3.5856 3.5856 4.0420 4.0420 4.5216 4.5216 5.2443 5.2443 5.5680 5.5680 6.2871 6.2871 6.5651 6.5651 6.6445 6.6445 7.2266 7.2266 7.3941 7.3941 7.8915 7.8915 8.2296 8.2296 9.0122 9.0122 9.6518 9.6518 k = 0.2705 0.2705 0.3064 ( 9754 PWs) bands (ev): -37.7786 -37.7786 -37.7782 -37.7782 -3.1698 -3.1698 -2.6565 -2.6565 2.9957 2.9957 3.2760 3.2760 3.5615 3.5615 4.0445 4.0445 4.4819 4.4819 5.2503 5.2503 5.5500 5.5500 6.3208 6.3208 6.6047 6.6047 6.6828 6.6828 7.2488 7.2488 7.3891 7.3891 7.9321 7.9321 8.2611 8.2611 9.0066 9.0066 9.6822 9.6822 k = 0.2623 0.2623 0.3064 ( 9762 PWs) bands (ev): -37.7787 -37.7787 -37.7782 -37.7782 -3.2142 -3.2142 -2.6775 -2.6775 3.0278 3.0278 3.3489 3.3489 3.5374 3.5374 4.0464 4.0464 4.4431 4.4431 5.2569 5.2569 5.5315 5.5315 6.3549 6.3549 6.6441 6.6441 6.7213 6.7213 7.2712 7.2712 7.3853 7.3853 7.9751 7.9751 8.2863 8.2863 9.0004 9.0004 9.7113 9.7113 k = 0.2541 0.2541 0.3064 ( 9770 PWs) bands (ev): -37.7788 -37.7788 -37.7783 -37.7783 -3.2580 -3.2580 -2.6984 -2.6984 3.0586 3.0586 3.4234 3.4234 3.5134 3.5134 4.0478 4.0478 4.4053 4.4053 5.2642 5.2642 5.5127 5.5127 6.3893 6.3893 6.6832 6.6832 6.7602 6.7602 7.2931 7.2931 7.3832 7.3832 8.0205 8.0205 8.3050 8.3050 8.9938 8.9938 9.7387 9.7387 k = 0.2459 0.2459 0.3064 ( 9766 PWs) bands (ev): -37.7788 -37.7788 -37.7783 -37.7783 -3.3012 -3.3012 -2.7190 -2.7190 3.0880 3.0880 3.4889 3.4889 3.5003 3.5003 4.0487 4.0487 4.3686 4.3686 5.2720 5.2720 5.4935 5.4935 6.4239 6.4239 6.7216 6.7216 6.7991 6.7991 7.3137 7.3137 7.3841 7.3841 8.0684 8.0684 8.3172 8.3172 8.9867 8.9867 9.7643 9.7643 k = 0.2377 0.2377 0.3064 ( 9754 PWs) bands (ev): -37.7789 -37.7789 -37.7783 -37.7783 -3.3436 -3.3436 -2.7393 -2.7393 3.1160 3.1160 3.4658 3.4658 3.5774 3.5774 4.0491 4.0491 4.3332 4.3332 5.2803 5.2803 5.4741 5.4741 6.4587 6.4587 6.7590 6.7590 6.8382 6.8382 7.3307 7.3307 7.3902 7.3902 8.1187 8.1187 8.3231 8.3231 8.9792 8.9792 9.7880 9.7880 k = 0.2295 0.2295 0.3064 ( 9754 PWs) bands (ev): -37.7789 -37.7789 -37.7784 -37.7784 -3.3853 -3.3853 -2.7593 -2.7593 3.1424 3.1424 3.4425 3.4425 3.6564 3.6564 4.0490 4.0490 4.2990 4.2990 5.2889 5.2889 5.4545 5.4545 6.4937 6.4937 6.7951 6.7951 6.8771 6.8771 7.3424 7.3424 7.4036 7.4036 8.1713 8.1713 8.3230 8.3230 8.9711 8.9711 9.8098 9.8098 k = 0.2213 0.2213 0.3064 ( 9766 PWs) bands (ev): -37.7790 -37.7790 -37.7784 -37.7784 -3.4260 -3.4260 -2.7790 -2.7790 3.1673 3.1673 3.4195 3.4195 3.7366 3.7366 4.0484 4.0484 4.2664 4.2664 5.2977 5.2977 5.4349 5.4349 6.5286 6.5286 6.8294 6.8294 6.9159 6.9159 7.3499 7.3499 7.4234 7.4234 8.2262 8.2262 8.3173 8.3173 8.9625 8.9625 9.8295 9.8295 k = 0.2131 0.2131 0.3064 ( 9776 PWs) bands (ev): -37.7791 -37.7791 -37.7785 -37.7785 -3.4658 -3.4658 -2.7983 -2.7983 3.1905 3.1905 3.3970 3.3970 3.8179 3.8179 4.0473 4.0473 4.2352 4.2352 5.3067 5.3067 5.4154 5.4154 6.5635 6.5635 6.8615 6.8615 6.9544 6.9544 7.3560 7.3560 7.4470 7.4470 8.2827 8.2827 8.3072 8.3072 8.9533 8.9533 9.8472 9.8472 k = 0.2049 0.2049 0.3064 ( 9768 PWs) bands (ev): -37.7791 -37.7791 -37.7785 -37.7785 -3.5046 -3.5046 -2.8171 -2.8171 3.2119 3.2119 3.3750 3.3750 3.9001 3.9001 4.0459 4.0459 4.2057 4.2057 5.3156 5.3156 5.3961 5.3961 6.5983 6.5983 6.8909 6.8909 6.9925 6.9925 7.3627 7.3627 7.4726 7.4726 8.2901 8.2901 8.3440 8.3440 8.9437 8.9437 9.8630 9.8630 k = 0.1967 0.1967 0.3064 ( 9772 PWs) bands (ev): -37.7792 -37.7792 -37.7785 -37.7785 -3.5424 -3.5424 -2.8354 -2.8354 3.2316 3.2316 3.3536 3.3536 3.9828 3.9828 4.0443 4.0443 4.1780 4.1780 5.3241 5.3241 5.3777 5.3777 6.6329 6.6329 6.9172 6.9172 7.0300 7.0300 7.3712 7.3712 7.4993 7.4993 8.2708 8.2708 8.4057 8.4057 8.9336 8.9336 9.8768 9.8768 k = 0.1885 0.1885 0.3064 ( 9760 PWs) bands (ev): -37.7792 -37.7792 -37.7785 -37.7785 -3.5789 -3.5789 -2.8532 -2.8532 3.2495 3.2495 3.3328 3.3328 4.0397 4.0397 4.0688 4.0688 4.1521 4.1521 5.3303 5.3303 5.3617 5.3617 6.6673 6.6673 6.9400 6.9400 7.0669 7.0669 7.3819 7.3819 7.5266 7.5266 8.2479 8.2479 8.4697 8.4697 8.9230 8.9230 9.8888 9.8888 k = 0.1803 0.1803 0.3064 ( 9760 PWs) bands (ev): -37.7793 -37.7793 -37.7786 -37.7786 -3.6143 -3.6143 -2.8704 -2.8704 3.2655 3.2655 3.3126 3.3126 4.0382 4.0382 4.1278 4.1278 4.1521 4.1521 5.3271 5.3271 5.3555 5.3555 6.7013 6.7013 6.9591 6.9591 7.1031 7.1031 7.3952 7.3952 7.5542 7.5542 8.2220 8.2220 8.5359 8.5359 8.9120 8.9120 9.8991 9.8991 k = 0.1721 0.1721 0.3064 ( 9764 PWs) bands (ev): -37.7793 -37.7793 -37.7786 -37.7786 -3.6485 -3.6485 -2.8871 -2.8871 3.2795 3.2795 3.2931 3.2931 4.0353 4.0353 4.1059 4.1059 4.2362 4.2362 5.3129 5.3129 5.3606 5.3606 6.7348 6.7348 6.9744 6.9744 7.1384 7.1384 7.4111 7.4111 7.5819 7.5819 8.1938 8.1938 8.6043 8.6043 8.9005 8.9005 9.9079 9.9079 k = 0.1639 0.1639 0.3064 ( 9764 PWs) bands (ev): -37.7794 -37.7794 -37.7787 -37.7787 -3.6814 -3.6814 -2.9032 -2.9032 3.2742 3.2742 3.2919 3.2919 4.0321 4.0321 4.0858 4.0858 4.3207 4.3207 5.2959 5.2959 5.3689 5.3689 6.7679 6.7679 6.9861 6.9861 7.1728 7.1728 7.4292 7.4292 7.6095 7.6095 8.1636 8.1636 8.6745 8.6745 8.8888 8.8888 9.9153 9.9153 k = 0.1557 0.1557 0.3064 ( 9770 PWs) bands (ev): -37.7794 -37.7794 -37.7787 -37.7787 -3.7129 -3.7129 -2.9186 -2.9186 3.2562 3.2562 3.3022 3.3022 4.0287 4.0287 4.0678 4.0678 4.4051 4.4051 5.2786 5.2786 5.3779 5.3779 6.8004 6.8004 6.9944 6.9944 7.2061 7.2061 7.4492 7.4492 7.6368 7.6368 8.1321 8.1321 8.7466 8.7466 8.8769 8.8769 9.9213 9.9213 k = 0.1475 0.1475 0.3064 ( 9766 PWs) bands (ev): -37.7795 -37.7795 -37.7787 -37.7787 -3.7431 -3.7431 -2.9334 -2.9334 3.2390 3.2390 3.3108 3.3108 4.0250 4.0250 4.0518 4.0518 4.4890 4.4890 5.2615 5.2615 5.3871 5.3871 6.8322 6.8322 6.9996 6.9996 7.2384 7.2384 7.4705 7.4705 7.6637 7.6637 8.0996 8.0996 8.8199 8.8199 8.8652 8.8652 9.9263 9.9263 k = 0.1393 0.1393 0.3064 ( 9770 PWs) bands (ev): -37.7795 -37.7795 -37.7787 -37.7787 -3.7718 -3.7718 -2.9475 -2.9475 3.2226 3.2226 3.3176 3.3176 4.0212 4.0212 4.0379 4.0379 4.5723 4.5723 5.2449 5.2449 5.3962 5.3962 6.8633 6.8633 7.0022 7.0022 7.2693 7.2693 7.4925 7.4925 7.6900 7.6900 8.0666 8.0666 8.8509 8.8509 8.8973 8.8973 9.9302 9.9302 k = 0.1311 0.1311 0.3064 ( 9766 PWs) bands (ev): -37.7796 -37.7796 -37.7788 -37.7788 -3.7991 -3.7991 -2.9609 -2.9609 3.2071 3.2071 3.3228 3.3228 4.0171 4.0171 4.0260 4.0260 4.6547 4.6547 5.2289 5.2289 5.4052 5.4052 6.8936 6.8936 7.0027 7.0027 7.2990 7.2990 7.5147 7.5147 7.7155 7.7155 8.0334 8.0334 8.8391 8.8391 8.9735 8.9735 9.9333 9.9333 k = 0.1230 0.1230 0.3064 ( 9762 PWs) bands (ev): -37.7796 -37.7796 -37.7788 -37.7788 -3.8249 -3.8249 -2.9736 -2.9736 3.1924 3.1924 3.3265 3.3265 4.0122 4.0122 4.0166 4.0166 4.7358 4.7358 5.2135 5.2135 5.4140 5.4140 6.9228 6.9228 7.0014 7.0014 7.3273 7.3273 7.5366 7.5366 7.7401 7.7401 8.0005 8.0005 8.8270 8.8270 9.0514 9.0514 9.9357 9.9357 k = 0.1148 0.1148 0.3064 ( 9758 PWs) bands (ev): -37.7797 -37.7797 -37.7788 -37.7788 -3.8492 -3.8492 -2.9855 -2.9855 3.1785 3.1785 3.3289 3.3289 4.0053 4.0053 4.0110 4.0110 4.8152 4.8152 5.1989 5.1989 5.4225 5.4225 6.9508 6.9508 6.9989 6.9989 7.3540 7.3540 7.5576 7.5576 7.7635 7.7635 7.9681 7.9681 8.8149 8.8149 9.1302 9.1302 9.9374 9.9374 k = 0.1066 0.1066 0.3064 ( 9752 PWs) bands (ev): -37.7797 -37.7797 -37.7788 -37.7788 -3.8719 -3.8719 -2.9967 -2.9967 3.1656 3.1656 3.3300 3.3300 3.9985 3.9985 4.0068 4.0068 4.8926 4.8926 5.1851 5.1851 5.4307 5.4307 6.9758 6.9758 6.9971 6.9971 7.3791 7.3791 7.5775 7.5775 7.7854 7.7854 7.9370 7.9370 8.8033 8.8033 9.2095 9.2095 9.9387 9.9387 k = 0.0984 0.0984 0.3064 ( 9750 PWs) bands (ev): -37.7797 -37.7797 -37.7789 -37.7789 -3.8931 -3.8931 -3.0071 -3.0071 3.1536 3.1536 3.3302 3.3302 3.9928 3.9928 4.0031 4.0031 4.9676 4.9676 5.1722 5.1722 5.4386 5.4386 6.9844 6.9844 7.0093 7.0093 7.4026 7.4026 7.5959 7.5959 7.8050 7.8050 7.9079 7.9079 8.7921 8.7921 9.2888 9.2888 9.9395 9.9395 k = 0.0902 0.0902 0.3064 ( 9750 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9127 -3.9127 -3.0167 -3.0167 3.1425 3.1425 3.3295 3.3295 3.9882 3.9882 3.9996 3.9996 5.0396 5.0396 5.1604 5.1604 5.4460 5.4460 6.9801 6.9801 7.0327 7.0327 7.4242 7.4242 7.6127 7.6127 7.8200 7.8200 7.8834 7.8834 8.7815 8.7815 9.3678 9.3678 9.9400 9.9400 k = 0.0820 0.0820 0.3064 ( 9750 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9306 -3.9306 -3.0255 -3.0255 3.1323 3.1323 3.3282 3.3282 3.9846 3.9846 3.9963 3.9963 5.1072 5.1072 5.1505 5.1505 5.4530 5.4530 6.9737 6.9737 7.0560 7.0560 7.4439 7.4439 7.6276 7.6276 7.8219 7.8219 7.8720 7.8720 8.7716 8.7716 9.4457 9.4457 9.9403 9.9403 k = 0.0738 0.0738 0.3064 ( 9754 PWs) bands (ev): -37.7798 -37.7798 -37.7789 -37.7789 -3.9469 -3.9469 -3.0335 -3.0335 3.1231 3.1231 3.3265 3.3265 3.9818 3.9818 3.9933 3.9933 5.1360 5.1360 5.1764 5.1764 5.4595 5.4595 6.9667 6.9667 7.0782 7.0782 7.4618 7.4618 7.6406 7.6406 7.8063 7.8063 7.8784 7.8784 8.7625 8.7625 9.5218 9.5218 9.9403 9.9403 k = 0.0656 0.0656 0.3064 ( 9754 PWs) bands (ev): -37.7799 -37.7799 -37.7789 -37.7789 -3.9615 -3.9615 -3.0407 -3.0407 3.1148 3.1148 3.3244 3.3244 3.9797 3.9797 3.9905 3.9905 5.1281 5.1281 5.2356 5.2356 5.4654 5.4654 6.9594 6.9594 7.0989 7.0989 7.4775 7.4775 7.6517 7.6517 7.7851 7.7851 7.8907 7.8907 8.7544 8.7544 9.5953 9.5953 9.9403 9.9403 k = 0.0574 0.0574 0.3064 ( 9770 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9745 -3.9745 -3.0471 -3.0471 3.1075 3.1075 3.3223 3.3223 3.9781 3.9781 3.9882 3.9882 5.1202 5.1202 5.2909 5.2909 5.4708 5.4708 6.9519 6.9519 7.1179 7.1179 7.4912 7.4912 7.6610 7.6610 7.7642 7.7642 7.9034 7.9034 8.7472 8.7472 9.6651 9.6651 9.9401 9.9401 k = 0.0492 0.0492 0.3064 ( 9762 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9857 -3.9857 -3.0526 -3.0526 3.1011 3.1011 3.3201 3.3201 3.9768 3.9768 3.9862 3.9862 5.1131 5.1131 5.3408 5.3408 5.4755 5.4755 6.9447 6.9447 7.1351 7.1351 7.5028 7.5028 7.6685 7.6685 7.7452 7.7452 7.9151 7.9151 8.7409 8.7409 9.7301 9.7301 9.9399 9.9399 k = 0.0410 0.0410 0.3064 ( 9758 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -3.9953 -3.9953 -3.0573 -3.0573 3.0958 3.0958 3.3181 3.3181 3.9758 3.9758 3.9846 3.9846 5.1070 5.1070 5.3844 5.3844 5.4796 5.4796 6.9380 6.9380 7.1502 7.1502 7.5122 7.5122 7.6742 7.6742 7.7287 7.7287 7.9253 7.9253 8.7357 8.7357 9.7889 9.7889 9.9398 9.9398 k = 0.0328 0.0328 0.3064 ( 9760 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0031 -4.0031 -3.0612 -3.0612 3.0913 3.0913 3.3163 3.3163 3.9750 3.9750 3.9833 3.9833 5.1020 5.1020 5.4211 5.4211 5.4830 5.4830 6.9320 6.9320 7.1630 7.1630 7.5196 7.5196 7.6783 7.6783 7.7152 7.7152 7.9338 7.9338 8.7315 8.7315 9.8399 9.8399 9.9396 9.9396 k = 0.0246 0.0246 0.3064 ( 9752 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0092 -4.0092 -3.0642 -3.0642 3.0879 3.0879 3.3148 3.3148 3.9743 3.9743 3.9825 3.9825 5.0981 5.0981 5.4504 5.4504 5.4857 5.4857 6.9269 6.9269 7.1733 7.1733 7.5250 7.5250 7.6806 7.6806 7.7054 7.7054 7.9405 7.9405 8.7282 8.7282 9.8817 9.8817 9.9395 9.9395 k = 0.0164 0.0164 0.3064 ( 9756 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0135 -4.0135 -3.0663 -3.0663 3.0855 3.0855 3.3137 3.3137 3.9738 3.9738 3.9820 3.9820 5.0953 5.0953 5.4717 5.4717 5.4877 5.4877 6.9231 6.9231 7.1809 7.1809 7.5286 7.5286 7.6810 7.6810 7.6994 7.6994 7.9454 7.9454 8.7259 8.7259 9.9125 9.9125 9.9397 9.9397 k = 0.0082 0.0082 0.3064 ( 9748 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0161 -4.0161 -3.0676 -3.0676 3.0840 3.0840 3.3130 3.3130 3.9735 3.9735 3.9817 3.9817 5.0936 5.0936 5.4843 5.4843 5.4892 5.4892 6.9208 6.9208 7.1855 7.1855 7.5307 7.5307 7.6802 7.6802 7.6968 7.6968 7.9483 7.9483 8.7245 8.7245 9.9305 9.9305 9.9410 9.9410 k = 0.0000 0.0000 0.3064 ( 9740 PWs) bands (ev): -37.7799 -37.7799 -37.7790 -37.7790 -4.0170 -4.0170 -3.0680 -3.0680 3.0835 3.0835 3.3128 3.3128 3.9734 3.9734 3.9816 3.9816 5.0930 5.0930 5.4876 5.4876 5.4906 5.4906 6.9200 6.9200 7.1871 7.1871 7.5313 7.5313 7.6797 7.6797 7.6962 7.6962 7.9493 7.9493 8.7241 8.7241 9.9349 9.9349 9.9430 9.9430 k = 0.0000 0.5000-0.0000 ( 9806 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9895 -2.9895 -2.9895 -2.9895 2.9974 2.9974 2.9974 2.9974 4.0188 4.0188 4.0188 4.0188 4.8323 4.8323 4.8323 4.8323 6.2046 6.2046 6.2046 6.2046 6.6742 6.6742 6.6742 6.6742 6.9990 6.9990 6.9990 6.9990 8.1767 8.1767 8.1767 8.1767 9.5820 9.5820 9.5820 9.5820 k = 0.0000 0.5000 0.0113 ( 9796 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9895 -2.9895 -2.9895 -2.9895 2.9952 2.9952 2.9952 2.9952 4.0215 4.0215 4.0215 4.0215 4.8323 4.8323 4.8323 4.8323 6.2046 6.2046 6.2046 6.2046 6.6737 6.6737 6.6737 6.6737 6.9983 6.9983 6.9983 6.9983 8.1791 8.1791 8.1791 8.1791 9.5824 9.5824 9.5824 9.5824 k = 0.0000 0.5000 0.0227 ( 9784 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9893 -2.9893 -2.9893 -2.9893 2.9887 2.9887 2.9887 2.9887 4.0297 4.0297 4.0297 4.0297 4.8323 4.8323 4.8323 4.8323 6.2045 6.2045 6.2045 6.2045 6.6721 6.6721 6.6721 6.6721 6.9964 6.9964 6.9964 6.9964 8.1863 8.1863 8.1863 8.1863 9.5836 9.5836 9.5836 9.5836 k = 0.0000 0.5000 0.0340 ( 9790 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9891 -2.9891 -2.9891 -2.9891 2.9782 2.9782 2.9782 2.9782 4.0430 4.0430 4.0430 4.0430 4.8322 4.8322 4.8322 4.8322 6.2043 6.2043 6.2043 6.2043 6.6694 6.6694 6.6694 6.6694 6.9933 6.9933 6.9933 6.9933 8.1983 8.1983 8.1983 8.1983 9.5857 9.5857 9.5857 9.5857 k = 0.0000 0.5000 0.0454 ( 9790 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9888 -2.9888 -2.9888 -2.9888 2.9641 2.9641 2.9641 2.9641 4.0610 4.0610 4.0610 4.0610 4.8321 4.8321 4.8321 4.8321 6.2041 6.2041 6.2041 6.2041 6.6657 6.6657 6.6657 6.6657 6.9892 6.9892 6.9892 6.9892 8.2149 8.2149 8.2149 8.2149 9.5885 9.5885 9.5885 9.5885 k = 0.0000 0.5000 0.0567 ( 9794 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9884 -2.9884 -2.9884 -2.9884 2.9469 2.9469 2.9469 2.9469 4.0831 4.0831 4.0831 4.0831 4.8319 4.8319 4.8319 4.8319 6.2038 6.2038 6.2038 6.2038 6.6609 6.6609 6.6609 6.6609 6.9842 6.9842 6.9842 6.9842 8.2359 8.2359 8.2359 8.2359 9.5921 9.5921 9.5921 9.5921 k = 0.0000 0.5000 0.0681 ( 9802 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9880 -2.9880 -2.9880 -2.9880 2.9271 2.9271 2.9271 2.9271 4.1087 4.1087 4.1087 4.1087 4.8318 4.8318 4.8318 4.8318 6.2035 6.2035 6.2035 6.2035 6.6551 6.6551 6.6551 6.6551 6.9785 6.9785 6.9785 6.9785 8.2611 8.2611 8.2612 8.2612 9.5964 9.5964 9.5964 9.5964 k = 0.0000 0.5000 0.0794 ( 9800 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9875 -2.9875 -2.9875 -2.9875 2.9054 2.9054 2.9054 2.9054 4.1373 4.1373 4.1373 4.1373 4.8316 4.8316 4.8316 4.8316 6.2031 6.2031 6.2031 6.2031 6.6482 6.6482 6.6482 6.6482 6.9724 6.9724 6.9724 6.9724 8.2903 8.2903 8.2903 8.2903 9.6013 9.6013 9.6013 9.6013 k = 0.0000 0.5000 0.0908 ( 9790 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9869 -2.9869 -2.9869 -2.9869 2.8822 2.8822 2.8822 2.8822 4.1681 4.1681 4.1681 4.1681 4.8314 4.8314 4.8314 4.8314 6.2027 6.2027 6.2027 6.2027 6.6403 6.6403 6.6403 6.6403 6.9659 6.9659 6.9659 6.9659 8.3232 8.3232 8.3232 8.3232 9.6068 9.6068 9.6068 9.6068 k = 0.0000 0.5000 0.1021 ( 9790 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9862 -2.9862 -2.9862 -2.9862 2.8580 2.8580 2.8580 2.8580 4.2007 4.2007 4.2007 4.2007 4.8312 4.8312 4.8312 4.8312 6.2023 6.2023 6.2023 6.2023 6.6314 6.6314 6.6314 6.6314 6.9595 6.9595 6.9595 6.9595 8.3595 8.3595 8.3595 8.3595 9.6129 9.6129 9.6129 9.6129 k = 0.0000 0.5000 0.1135 ( 9794 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9856 -2.9856 -2.9856 -2.9856 2.8333 2.8333 2.8333 2.8333 4.2345 4.2345 4.2345 4.2345 4.8309 4.8309 4.8309 4.8309 6.2018 6.2018 6.2018 6.2018 6.6217 6.6217 6.6217 6.6217 6.9530 6.9530 6.9530 6.9530 8.3988 8.3988 8.3988 8.3988 9.6194 9.6194 9.6194 9.6194 k = 0.0000 0.5000 0.1248 ( 9790 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9848 -2.9848 -2.9848 -2.9848 2.8085 2.8085 2.8085 2.8085 4.2690 4.2690 4.2690 4.2690 4.8307 4.8307 4.8307 4.8307 6.2013 6.2013 6.2013 6.2013 6.6111 6.6111 6.6111 6.6111 6.9468 6.9468 6.9468 6.9468 8.4410 8.4410 8.4410 8.4410 9.6263 9.6263 9.6263 9.6263 k = 0.0000 0.5000 0.1362 ( 9780 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9841 -2.9841 -2.9841 -2.9841 2.7839 2.7839 2.7839 2.7839 4.3037 4.3037 4.3037 4.3037 4.8304 4.8304 4.8304 4.8304 6.2007 6.2007 6.2007 6.2007 6.6000 6.6000 6.6000 6.6000 6.9409 6.9409 6.9409 6.9409 8.4856 8.4856 8.4856 8.4856 9.6335 9.6335 9.6335 9.6335 k = 0.0000 0.5000 0.1475 ( 9784 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9833 -2.9833 -2.9833 -2.9833 2.7598 2.7598 2.7598 2.7598 4.3383 4.3383 4.3383 4.3383 4.8302 4.8302 4.8302 4.8302 6.2002 6.2002 6.2002 6.2002 6.5882 6.5882 6.5882 6.5882 6.9354 6.9354 6.9354 6.9354 8.5324 8.5324 8.5324 8.5324 9.6409 9.6409 9.6409 9.6409 k = 0.0000 0.5000 0.1589 ( 9788 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9826 -2.9826 -2.9826 -2.9826 2.7364 2.7364 2.7364 2.7364 4.3723 4.3723 4.3723 4.3723 4.8299 4.8299 4.8299 4.8299 6.1996 6.1996 6.1996 6.1996 6.5762 6.5762 6.5762 6.5762 6.9303 6.9303 6.9303 6.9303 8.5808 8.5808 8.5808 8.5808 9.6484 9.6484 9.6484 9.6484 k = 0.0000 0.5000 0.1702 ( 9780 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9818 -2.9818 -2.9818 -2.9818 2.7141 2.7141 2.7141 2.7141 4.4053 4.4053 4.4053 4.4053 4.8297 4.8297 4.8297 4.8297 6.1990 6.1990 6.1990 6.1990 6.5640 6.5640 6.5640 6.5640 6.9257 6.9257 6.9257 6.9257 8.6305 8.6305 8.6305 8.6305 9.6559 9.6559 9.6559 9.6559 k = 0.0000 0.5000 0.1816 ( 9778 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9811 -2.9811 -2.9811 -2.9811 2.6929 2.6929 2.6929 2.6929 4.4371 4.4371 4.4371 4.4371 4.8294 4.8294 4.8294 4.8294 6.1984 6.1984 6.1985 6.1985 6.5517 6.5517 6.5517 6.5517 6.9215 6.9215 6.9215 6.9215 8.6810 8.6810 8.6810 8.6810 9.6632 9.6632 9.6632 9.6632 k = 0.0000 0.5000 0.1929 ( 9786 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9803 -2.9803 -2.9803 -2.9803 2.6731 2.6731 2.6731 2.6731 4.4674 4.4674 4.4674 4.4674 4.8292 4.8292 4.8292 4.8292 6.1979 6.1979 6.1979 6.1979 6.5397 6.5397 6.5397 6.5397 6.9178 6.9178 6.9178 6.9178 8.7316 8.7316 8.7316 8.7316 9.6704 9.6704 9.6704 9.6704 k = 0.0000 0.5000 0.2043 ( 9774 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9796 -2.9796 -2.9796 -2.9796 2.6548 2.6548 2.6548 2.6548 4.4957 4.4957 4.4957 4.4957 4.8290 4.8290 4.8290 4.8290 6.1974 6.1974 6.1974 6.1974 6.5281 6.5281 6.5281 6.5281 6.9145 6.9145 6.9145 6.9145 8.7818 8.7818 8.7818 8.7818 9.6773 9.6773 9.6773 9.6773 k = 0.0000 0.5000 0.2156 ( 9780 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9790 -2.9790 -2.9790 -2.9790 2.6381 2.6381 2.6381 2.6381 4.5219 4.5219 4.5219 4.5219 4.8288 4.8288 4.8288 4.8288 6.1969 6.1969 6.1969 6.1969 6.5171 6.5171 6.5171 6.5171 6.9116 6.9116 6.9116 6.9116 8.8308 8.8308 8.8308 8.8308 9.6837 9.6837 9.6837 9.6837 k = 0.0000 0.5000 0.2270 ( 9774 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9784 -2.9784 -2.9784 -2.9784 2.6231 2.6231 2.6231 2.6231 4.5457 4.5457 4.5457 4.5457 4.8286 4.8286 4.8286 4.8286 6.1964 6.1964 6.1964 6.1964 6.5069 6.5069 6.5069 6.5069 6.9092 6.9092 6.9092 6.9092 8.8776 8.8776 8.8776 8.8776 9.6897 9.6897 9.6897 9.6897 k = 0.0000 0.5000 0.2383 ( 9782 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9779 -2.9779 -2.9779 -2.9779 2.6099 2.6099 2.6099 2.6099 4.5668 4.5668 4.5668 4.5668 4.8285 4.8285 4.8285 4.8285 6.1960 6.1960 6.1960 6.1960 6.4976 6.4976 6.4976 6.4976 6.9071 6.9071 6.9071 6.9071 8.9215 8.9215 8.9215 8.9215 9.6951 9.6951 9.6951 9.6951 k = 0.0000 0.5000 0.2497 ( 9786 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9774 -2.9774 -2.9774 -2.9774 2.5987 2.5987 2.5987 2.5987 4.5851 4.5851 4.5851 4.5851 4.8284 4.8284 4.8284 4.8284 6.1956 6.1956 6.1956 6.1956 6.4895 6.4895 6.4895 6.4895 6.9054 6.9054 6.9054 6.9054 8.9613 8.9613 8.9613 8.9613 9.6998 9.6998 9.6998 9.6998 k = 0.0000 0.5000 0.2610 ( 9782 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9770 -2.9770 -2.9770 -2.9770 2.5894 2.5894 2.5894 2.5894 4.6003 4.6003 4.6003 4.6003 4.8283 4.8283 4.8283 4.8283 6.1953 6.1953 6.1953 6.1953 6.4826 6.4826 6.4826 6.4826 6.9040 6.9040 6.9040 6.9040 8.9960 8.9960 8.9960 8.9960 9.7037 9.7037 9.7037 9.7037 k = 0.0000 0.5000 0.2724 ( 9778 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9767 -2.9767 -2.9767 -2.9767 2.5822 2.5822 2.5822 2.5822 4.6123 4.6123 4.6123 4.6123 4.8282 4.8282 4.8282 4.8282 6.1950 6.1950 6.1950 6.1950 6.4771 6.4771 6.4771 6.4771 6.9029 6.9029 6.9029 6.9029 9.0244 9.0244 9.0244 9.0244 9.7068 9.7068 9.7068 9.7068 k = 0.0000 0.5000 0.2837 ( 9774 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9765 -2.9765 -2.9765 -2.9765 2.5769 2.5769 2.5769 2.5769 4.6209 4.6209 4.6209 4.6209 4.8282 4.8282 4.8282 4.8282 6.1948 6.1948 6.1948 6.1948 6.4731 6.4731 6.4731 6.4731 6.9022 6.9022 6.9022 6.9022 9.0456 9.0456 9.0456 9.0456 9.7091 9.7091 9.7091 9.7091 k = 0.0000 0.5000 0.2951 ( 9776 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9764 -2.9764 -2.9764 -2.9764 2.5738 2.5738 2.5738 2.5738 4.6262 4.6262 4.6262 4.6262 4.8282 4.8282 4.8282 4.8282 6.1947 6.1947 6.1947 6.1947 6.4707 6.4707 6.4707 6.4707 6.9017 6.9017 6.9017 6.9017 9.0586 9.0586 9.0586 9.0586 9.7105 9.7105 9.7105 9.7105 k = 0.0000 0.5000 0.3064 ( 9776 PWs) bands (ev): -37.7785 -37.7785 -37.7785 -37.7785 -2.9763 -2.9763 -2.9763 -2.9763 2.5727 2.5727 2.5727 2.5727 4.6279 4.6279 4.6279 4.6279 4.8282 4.8282 4.8282 4.8282 6.1947 6.1947 6.1947 6.1947 6.4699 6.4699 6.4699 6.4699 6.9016 6.9016 6.9016 6.9016 9.0630 9.0630 9.0630 9.0630 9.7109 9.7109 9.7109 9.7109 k = 0.5000 0.5000-0.0000 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2462 -2.2462 -2.2462 -2.2462 1.9760 1.9760 1.9760 1.9760 4.4776 4.4776 4.4776 4.4776 5.4048 5.4048 5.4048 5.4048 5.7576 5.7576 5.7576 5.7576 5.7914 5.7914 5.7914 5.7914 6.9742 6.9742 6.9742 6.9742 7.5259 7.5259 7.5259 7.5259 8.8318 8.8318 8.8318 8.8318 k = 0.5000 0.5000 0.0113 ( 9792 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2462 -2.2462 -2.2462 -2.2462 1.9766 1.9766 1.9766 1.9766 4.4757 4.4757 4.4757 4.4757 5.4049 5.4049 5.4049 5.4049 5.7578 5.7578 5.7578 5.7578 5.7920 5.7920 5.7920 5.7920 6.9738 6.9738 6.9738 6.9738 7.5259 7.5259 7.5259 7.5259 8.8327 8.8327 8.8327 8.8327 k = 0.5000 0.5000 0.0227 ( 9784 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2463 -2.2463 -2.2463 -2.2463 1.9785 1.9785 1.9785 1.9785 4.4698 4.4698 4.4698 4.4698 5.4051 5.4051 5.4051 5.4051 5.7582 5.7582 5.7582 5.7582 5.7938 5.7938 5.7938 5.7938 6.9726 6.9726 6.9726 6.9726 7.5259 7.5259 7.5259 7.5259 8.8357 8.8357 8.8357 8.8357 k = 0.5000 0.5000 0.0340 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2464 -2.2464 -2.2464 -2.2464 1.9815 1.9815 1.9815 1.9815 4.4602 4.4602 4.4602 4.4602 5.4054 5.4054 5.4054 5.4054 5.7589 5.7589 5.7589 5.7589 5.7967 5.7967 5.7967 5.7967 6.9707 6.9707 6.9707 6.9707 7.5259 7.5259 7.5259 7.5259 8.8404 8.8404 8.8404 8.8404 k = 0.5000 0.5000 0.0454 ( 9748 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2465 -2.2465 -2.2465 -2.2465 1.9858 1.9858 1.9858 1.9858 4.4470 4.4470 4.4470 4.4470 5.4059 5.4059 5.4059 5.4059 5.7597 5.7597 5.7597 5.7597 5.8007 5.8007 5.8007 5.8007 6.9681 6.9681 6.9681 6.9681 7.5259 7.5259 7.5259 7.5259 8.8470 8.8470 8.8470 8.8470 k = 0.5000 0.5000 0.0567 ( 9756 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2467 -2.2467 -2.2467 -2.2467 1.9912 1.9912 1.9912 1.9912 4.4304 4.4304 4.4304 4.4304 5.4064 5.4064 5.4064 5.4064 5.7607 5.7607 5.7607 5.7607 5.8057 5.8057 5.8057 5.8057 6.9649 6.9649 6.9649 6.9649 7.5259 7.5259 7.5259 7.5259 8.8552 8.8552 8.8552 8.8552 k = 0.5000 0.5000 0.0681 ( 9740 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2469 -2.2469 -2.2469 -2.2469 1.9977 1.9977 1.9977 1.9977 4.4108 4.4108 4.4108 4.4108 5.4071 5.4071 5.4071 5.4071 5.7618 5.7618 5.7618 5.7618 5.8116 5.8116 5.8116 5.8116 6.9610 6.9610 6.9610 6.9610 7.5259 7.5259 7.5259 7.5259 8.8648 8.8648 8.8648 8.8648 k = 0.5000 0.5000 0.0794 ( 9748 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2471 -2.2471 -2.2471 -2.2471 2.0053 2.0053 2.0053 2.0053 4.3883 4.3883 4.3883 4.3883 5.4079 5.4079 5.4079 5.4079 5.7629 5.7629 5.7629 5.7629 5.8183 5.8183 5.8183 5.8183 6.9567 6.9567 6.9567 6.9567 7.5259 7.5259 7.5259 7.5259 8.8756 8.8756 8.8756 8.8756 k = 0.5000 0.5000 0.0908 ( 9756 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2474 -2.2474 -2.2474 -2.2474 2.0139 2.0139 2.0139 2.0139 4.3635 4.3635 4.3635 4.3635 5.4088 5.4088 5.4088 5.4088 5.7642 5.7642 5.7642 5.7642 5.8257 5.8257 5.8257 5.8257 6.9520 6.9520 6.9520 6.9520 7.5259 7.5259 7.5259 7.5259 8.8875 8.8875 8.8875 8.8875 k = 0.5000 0.5000 0.1021 ( 9772 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2477 -2.2477 -2.2477 -2.2477 2.0234 2.0234 2.0234 2.0234 4.3366 4.3366 4.3366 4.3366 5.4097 5.4097 5.4097 5.4097 5.7654 5.7654 5.7654 5.7654 5.8334 5.8334 5.8334 5.8334 6.9469 6.9469 6.9469 6.9469 7.5259 7.5259 7.5259 7.5259 8.9002 8.9002 8.9002 8.9002 k = 0.5000 0.5000 0.1135 ( 9784 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2480 -2.2480 -2.2480 -2.2480 2.0337 2.0337 2.0337 2.0337 4.3080 4.3080 4.3080 4.3080 5.4107 5.4107 5.4107 5.4107 5.7667 5.7667 5.7667 5.7667 5.8415 5.8415 5.8415 5.8415 6.9417 6.9417 6.9417 6.9417 7.5259 7.5259 7.5259 7.5259 8.9134 8.9134 8.9134 8.9134 k = 0.5000 0.5000 0.1248 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2483 -2.2483 -2.2483 -2.2483 2.0448 2.0448 2.0448 2.0448 4.2781 4.2781 4.2781 4.2781 5.4117 5.4117 5.4117 5.4117 5.7681 5.7681 5.7681 5.7681 5.8497 5.8497 5.8497 5.8497 6.9362 6.9362 6.9362 6.9362 7.5259 7.5259 7.5259 7.5259 8.9270 8.9270 8.9270 8.9270 k = 0.5000 0.5000 0.1362 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2486 -2.2486 -2.2486 -2.2486 2.0564 2.0564 2.0564 2.0564 4.2474 4.2474 4.2474 4.2474 5.4128 5.4128 5.4128 5.4128 5.7695 5.7695 5.7695 5.7695 5.8579 5.8579 5.8579 5.8579 6.9307 6.9307 6.9307 6.9307 7.5259 7.5259 7.5259 7.5259 8.9408 8.9408 8.9408 8.9408 k = 0.5000 0.5000 0.1475 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2490 -2.2490 -2.2490 -2.2490 2.0686 2.0686 2.0686 2.0686 4.2161 4.2161 4.2161 4.2161 5.4139 5.4139 5.4139 5.4139 5.7709 5.7709 5.7709 5.7709 5.8661 5.8661 5.8661 5.8661 6.9253 6.9253 6.9253 6.9253 7.5259 7.5259 7.5259 7.5259 8.9545 8.9545 8.9545 8.9545 k = 0.5000 0.5000 0.1589 ( 9780 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2493 -2.2493 -2.2493 -2.2493 2.0811 2.0811 2.0811 2.0811 4.1848 4.1848 4.1848 4.1848 5.4149 5.4149 5.4149 5.4149 5.7722 5.7722 5.7722 5.7722 5.8740 5.8740 5.8740 5.8740 6.9199 6.9199 6.9199 6.9199 7.5259 7.5259 7.5259 7.5259 8.9679 8.9679 8.9679 8.9679 k = 0.5000 0.5000 0.1702 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2497 -2.2497 -2.2497 -2.2497 2.0937 2.0937 2.0937 2.0937 4.1538 4.1538 4.1538 4.1538 5.4160 5.4160 5.4160 5.4160 5.7736 5.7736 5.7736 5.7736 5.8816 5.8816 5.8816 5.8816 6.9147 6.9147 6.9147 6.9147 7.5258 7.5258 7.5258 7.5258 8.9809 8.9809 8.9809 8.9809 k = 0.5000 0.5000 0.1816 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2500 -2.2500 -2.2500 -2.2500 2.1064 2.1064 2.1064 2.1064 4.1234 4.1234 4.1234 4.1234 5.4171 5.4171 5.4171 5.4171 5.7750 5.7750 5.7750 5.7750 5.8888 5.8888 5.8888 5.8888 6.9097 6.9097 6.9097 6.9097 7.5258 7.5258 7.5258 7.5258 8.9933 8.9933 8.9933 8.9933 k = 0.5000 0.5000 0.1929 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2503 -2.2503 -2.2503 -2.2503 2.1190 2.1190 2.1190 2.1190 4.0940 4.0940 4.0940 4.0940 5.4180 5.4180 5.4180 5.4180 5.7762 5.7762 5.7762 5.7762 5.8956 5.8956 5.8956 5.8956 6.9050 6.9050 6.9050 6.9050 7.5258 7.5258 7.5258 7.5258 9.0050 9.0050 9.0050 9.0050 k = 0.5000 0.5000 0.2043 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2506 -2.2506 -2.2506 -2.2506 2.1311 2.1311 2.1311 2.1311 4.0661 4.0661 4.0661 4.0661 5.4190 5.4190 5.4190 5.4190 5.7775 5.7775 5.7775 5.7775 5.9018 5.9018 5.9018 5.9018 6.9006 6.9006 6.9006 6.9006 7.5258 7.5258 7.5258 7.5258 9.0159 9.0159 9.0159 9.0159 k = 0.5000 0.5000 0.2156 ( 9772 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2509 -2.2509 -2.2509 -2.2509 2.1428 2.1428 2.1428 2.1428 4.0400 4.0400 4.0400 4.0400 5.4199 5.4199 5.4199 5.4199 5.7786 5.7786 5.7786 5.7786 5.9075 5.9075 5.9075 5.9075 6.8965 6.8965 6.8965 6.8965 7.5258 7.5258 7.5258 7.5258 9.0258 9.0258 9.0258 9.0258 k = 0.5000 0.5000 0.2270 ( 9756 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2512 -2.2512 -2.2512 -2.2512 2.1537 2.1537 2.1537 2.1537 4.0160 4.0160 4.0160 4.0160 5.4206 5.4206 5.4206 5.4206 5.7797 5.7797 5.7797 5.7797 5.9127 5.9127 5.9127 5.9127 6.8929 6.8929 6.8929 6.8929 7.5258 7.5258 7.5258 7.5258 9.0348 9.0348 9.0348 9.0348 k = 0.5000 0.5000 0.2383 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2514 -2.2514 -2.2514 -2.2514 2.1636 2.1636 2.1636 2.1636 3.9944 3.9944 3.9944 3.9944 5.4214 5.4214 5.4214 5.4214 5.7807 5.7807 5.7807 5.7807 5.9171 5.9171 5.9171 5.9171 6.8897 6.8897 6.8897 6.8897 7.5258 7.5258 7.5258 7.5258 9.0427 9.0427 9.0427 9.0427 k = 0.5000 0.5000 0.2497 ( 9776 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2516 -2.2516 -2.2516 -2.2516 2.1724 2.1724 2.1724 2.1724 3.9756 3.9756 3.9756 3.9756 5.4220 5.4220 5.4220 5.4220 5.7815 5.7815 5.7815 5.7815 5.9210 5.9210 5.9210 5.9210 6.8869 6.8869 6.8869 6.8869 7.5258 7.5258 7.5258 7.5258 9.0494 9.0494 9.0494 9.0494 k = 0.5000 0.5000 0.2610 ( 9800 PWs) bands (ev): -37.7777 -37.7777 -37.7777 -37.7777 -2.2518 -2.2518 -2.2518 -2.2518 2.1799 2.1799 2.1799 2.1799 3.9598 3.9598 3.9598 3.9598 5.4225 5.4225 5.4225 5.4225 5.7822 5.7822 5.7822 5.7822 5.9241 5.9241 5.9241 5.9241 6.8846 6.8846 6.8846 6.8846 7.5258 7.5258 7.5258 7.5258 9.0550 9.0550 9.0550 9.0550 k = 0.5000 0.5000 0.2724 ( 9792 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2519 -2.2519 -2.2519 -2.2519 2.1859 2.1859 2.1859 2.1859 3.9473 3.9473 3.9473 3.9473 5.4229 5.4229 5.4229 5.4229 5.7827 5.7827 5.7827 5.7827 5.9266 5.9266 5.9266 5.9266 6.8828 6.8828 6.8828 6.8828 7.5258 7.5258 7.5258 7.5258 9.0593 9.0593 9.0593 9.0593 k = 0.5000 0.5000 0.2837 ( 9772 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2520 -2.2520 -2.2520 -2.2520 2.1903 2.1903 2.1903 2.1903 3.9382 3.9382 3.9382 3.9382 5.4232 5.4232 5.4232 5.4232 5.7831 5.7831 5.7831 5.7831 5.9284 5.9284 5.9284 5.9284 6.8815 6.8815 6.8815 6.8815 7.5258 7.5258 7.5258 7.5258 9.0625 9.0625 9.0625 9.0625 k = 0.5000 0.5000 0.2951 ( 9764 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2521 -2.2521 -2.2521 -2.2521 2.1929 2.1929 2.1929 2.1929 3.9326 3.9326 3.9326 3.9326 5.4233 5.4233 5.4233 5.4233 5.7834 5.7834 5.7834 5.7834 5.9295 5.9295 5.9295 5.9295 6.8807 6.8807 6.8807 6.8807 7.5258 7.5258 7.5258 7.5258 9.0643 9.0643 9.0643 9.0643 k = 0.5000 0.5000 0.3064 ( 9768 PWs) bands (ev): -37.7776 -37.7776 -37.7776 -37.7776 -2.2521 -2.2521 -2.2521 -2.2521 2.1938 2.1938 2.1938 2.1938 3.9308 3.9308 3.9308 3.9308 5.4234 5.4234 5.4234 5.4234 5.7835 5.7835 5.7835 5.7835 5.9298 5.9298 5.9298 5.9298 6.8805 6.8805 6.8805 6.8805 7.5258 7.5258 7.5258 7.5258 9.0650 9.0650 9.0650 9.0650 Writing output data file LiFeP.save init_run : 0.39s CPU 0.51s WALL ( 1 calls) electrons : 197.26s CPU 199.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 197.25s CPU 199.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.18s WALL ( 384 calls) cegterg : 166.78s CPU 168.44s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 133.30s CPU 134.82s WALL ( 5271 calls) s_psi : 7.48s CPU 7.50s WALL ( 5271 calls) g_psi : 0.43s CPU 0.45s WALL ( 4503 calls) cdiaghg : 27.76s CPU 27.89s WALL ( 4887 calls) cegterg:over : 7.76s CPU 7.94s WALL ( 4503 calls) cegterg:upda : 7.06s CPU 7.19s WALL ( 4503 calls) cegterg:last : 3.84s CPU 3.88s WALL ( 1196 calls) cdiaghg:chol : 1.63s CPU 1.67s WALL ( 4887 calls) cdiaghg:inve : 0.92s CPU 0.90s WALL ( 4887 calls) cdiaghg:para : 1.67s CPU 1.62s WALL ( 9774 calls) Called by h_psi: h_psi:vloc : 117.10s CPU 118.32s WALL ( 5271 calls) h_psi:vnl : 15.84s CPU 16.11s WALL ( 5271 calls) add_vuspsi : 8.15s CPU 8.27s WALL ( 5271 calls) General routines calbec : 7.68s CPU 7.83s WALL ( 5271 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 111.43s CPU 112.68s WALL ( 696252 calls) davcio : 0.31s CPU 0.41s WALL ( 768 calls) Parallel routines fft_scatter : 36.80s CPU 37.23s WALL ( 696267 calls) PWSCF : 3m42.77s CPU 4m 1.64s WALL This run was terminated on: 18:15:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=