Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:58:23 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: ./HgxNClx2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 108 48 14 3592 1046 165 Max 109 49 15 3595 1069 168 Sum 3893 1733 505 129333 38045 6017 bravais-lattice index = 14 lattice parameter (alat) = 10.8503 a.u. unit-cell volume = 903.2430 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.850253 celldm(2)= 1.000000 celldm(3)= 0.707107 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 0.707107 ) 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 1.414214 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Cl 7.00 35.45300 Cl( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 3) = ( -0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 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 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0026178 k( 9) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0026178 k( 10) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0026178 k( 11) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0026178 k( 12) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0026178 k( 13) = ( 0.1538461 0.1538462 -0.0000000), wk = 0.0026178 k( 14) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0026178 k( 17) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0026178 k( 18) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0026178 k( 19) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0026178 k( 20) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0026178 k( 21) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0026178 k( 22) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0026178 k( 23) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0026178 k( 24) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0026178 k( 25) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0026178 k( 26) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0026178 k( 27) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 28) = ( 0.3461538 0.3461539 -0.0000000), wk = 0.0026178 k( 29) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0026178 k( 30) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0026178 k( 31) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0026178 k( 32) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0026178 k( 33) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0026178 k( 34) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0026178 k( 35) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0026178 k( 36) = ( 0.4487179 0.4487180 -0.0000000), wk = 0.0026178 k( 37) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0026178 k( 38) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0026178 k( 39) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0026178 k( 40) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 41) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 42) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0026178 k( 43) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026178 k( 44) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0026178 k( 45) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026178 k( 46) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0026178 k( 47) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0026178 k( 53) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026178 k( 56) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026178 k( 60) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0026178 k( 61) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026178 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0026178 k( 65) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0026178 k( 67) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026178 k( 68) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 70) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.0000000 0.5000000 0.0181309), wk = 0.0026178 k( 72) = ( 0.0000000 0.5000000 0.0362619), wk = 0.0026178 k( 73) = ( 0.0000000 0.5000000 0.0543928), wk = 0.0026178 k( 74) = ( 0.0000000 0.5000000 0.0725238), wk = 0.0026178 k( 75) = ( 0.0000000 0.5000000 0.0906547), wk = 0.0026178 k( 76) = ( 0.0000000 0.5000000 0.1087857), wk = 0.0026178 k( 77) = ( 0.0000000 0.5000000 0.1269166), wk = 0.0026178 k( 78) = ( 0.0000000 0.5000000 0.1450475), wk = 0.0026178 k( 79) = ( 0.0000000 0.5000000 0.1631785), wk = 0.0026178 k( 80) = ( 0.0000000 0.5000000 0.1813094), wk = 0.0026178 k( 81) = ( 0.0000000 0.5000000 0.1994404), wk = 0.0026178 k( 82) = ( 0.0000000 0.5000000 0.2175713), wk = 0.0026178 k( 83) = ( 0.0000000 0.5000000 0.2357023), wk = 0.0026178 k( 84) = ( 0.0000000 0.5000000 0.2538332), wk = 0.0026178 k( 85) = ( 0.0000000 0.5000000 0.2719641), wk = 0.0026178 k( 86) = ( 0.0000000 0.5000000 0.2900951), wk = 0.0026178 k( 87) = ( 0.0000000 0.5000000 0.3082260), wk = 0.0026178 k( 88) = ( 0.0000000 0.5000000 0.3263570), wk = 0.0026178 k( 89) = ( 0.0000000 0.5000000 0.3444879), wk = 0.0026178 k( 90) = ( 0.0000000 0.5000000 0.3626189), wk = 0.0026178 k( 91) = ( 0.0000000 0.5000000 0.3807498), wk = 0.0026178 k( 92) = ( 0.0000000 0.5000000 0.3988807), wk = 0.0026178 k( 93) = ( 0.0000000 0.5000000 0.4170117), wk = 0.0026178 k( 94) = ( 0.0000000 0.5000000 0.4351426), wk = 0.0026178 k( 95) = ( 0.0000000 0.5000000 0.4532736), wk = 0.0026178 k( 96) = ( 0.0000000 0.5000000 0.4714045), wk = 0.0026178 k( 97) = ( 0.0000000 0.5000000 0.4895355), wk = 0.0026178 k( 98) = ( 0.0000000 0.5000000 0.5076664), wk = 0.0026178 k( 99) = ( 0.0000000 0.5000000 0.5257973), wk = 0.0026178 k( 100) = ( 0.0000000 0.5000000 0.5439283), wk = 0.0026178 k( 101) = ( 0.0000000 0.5000000 0.5620592), wk = 0.0026178 k( 102) = ( 0.0000000 0.5000000 0.5801902), wk = 0.0026178 k( 103) = ( 0.0000000 0.5000000 0.5983211), wk = 0.0026178 k( 104) = ( 0.0000000 0.5000000 0.6164521), wk = 0.0026178 k( 105) = ( 0.0000000 0.5000000 0.6345830), wk = 0.0026178 k( 106) = ( 0.0000000 0.5000000 0.6527139), wk = 0.0026178 k( 107) = ( 0.0000000 0.5000000 0.6708449), wk = 0.0026178 k( 108) = ( 0.0000000 0.5000000 0.6889758), wk = 0.0026178 k( 109) = ( 0.0000000 0.5000000 0.7071068), wk = 0.0026178 k( 110) = ( 0.0000000 0.5000000 0.7071068), wk = 0.0026178 k( 111) = ( 0.0178571 0.5000000 0.7071068), wk = 0.0026178 k( 112) = ( 0.0357143 0.5000000 0.7071068), wk = 0.0026178 k( 113) = ( 0.0535714 0.5000000 0.7071068), wk = 0.0026178 k( 114) = ( 0.0714286 0.5000000 0.7071068), wk = 0.0026178 k( 115) = ( 0.0892857 0.5000000 0.7071068), wk = 0.0026178 k( 116) = ( 0.1071429 0.5000000 0.7071068), wk = 0.0026178 k( 117) = ( 0.1250000 0.5000000 0.7071068), wk = 0.0026178 k( 118) = ( 0.1428571 0.5000000 0.7071068), wk = 0.0026178 k( 119) = ( 0.1607143 0.5000000 0.7071068), wk = 0.0026178 k( 120) = ( 0.1785714 0.5000000 0.7071068), wk = 0.0026178 k( 121) = ( 0.1964286 0.5000000 0.7071068), wk = 0.0026178 k( 122) = ( 0.2142857 0.5000000 0.7071068), wk = 0.0026178 k( 123) = ( 0.2321429 0.5000000 0.7071068), wk = 0.0026178 k( 124) = ( 0.2500000 0.5000000 0.7071068), wk = 0.0026178 k( 125) = ( 0.2678571 0.5000000 0.7071068), wk = 0.0026178 k( 126) = ( 0.2857143 0.5000000 0.7071068), wk = 0.0026178 k( 127) = ( 0.3035714 0.5000000 0.7071068), wk = 0.0026178 k( 128) = ( 0.3214286 0.5000000 0.7071068), wk = 0.0026178 k( 129) = ( 0.3392857 0.5000000 0.7071068), wk = 0.0026178 k( 130) = ( 0.3571429 0.5000000 0.7071068), wk = 0.0026178 k( 131) = ( 0.3750000 0.5000000 0.7071068), wk = 0.0026178 k( 132) = ( 0.3928571 0.5000000 0.7071068), wk = 0.0026178 k( 133) = ( 0.4107143 0.5000000 0.7071068), wk = 0.0026178 k( 134) = ( 0.4285714 0.5000000 0.7071068), wk = 0.0026178 k( 135) = ( 0.4464286 0.5000000 0.7071068), wk = 0.0026178 k( 136) = ( 0.4642857 0.5000000 0.7071068), wk = 0.0026178 k( 137) = ( 0.4821429 0.5000000 0.7071068), wk = 0.0026178 k( 138) = ( 0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 139) = ( 0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 140) = ( 0.4871795 0.4871795 0.7071068), wk = 0.0026178 k( 141) = ( 0.4743590 0.4743590 0.7071068), wk = 0.0026178 k( 142) = ( 0.4615385 0.4615385 0.7071068), wk = 0.0026178 k( 143) = ( 0.4487179 0.4487180 0.7071068), wk = 0.0026178 k( 144) = ( 0.4358974 0.4358974 0.7071068), wk = 0.0026178 k( 145) = ( 0.4230769 0.4230769 0.7071068), wk = 0.0026178 k( 146) = ( 0.4102564 0.4102564 0.7071068), wk = 0.0026178 k( 147) = ( 0.3974359 0.3974359 0.7071068), wk = 0.0026178 k( 148) = ( 0.3846154 0.3846154 0.7071068), wk = 0.0026178 k( 149) = ( 0.3717949 0.3717949 0.7071068), wk = 0.0026178 k( 150) = ( 0.3589744 0.3589744 0.7071068), wk = 0.0026178 k( 151) = ( 0.3461538 0.3461539 0.7071068), wk = 0.0026178 k( 152) = ( 0.3333333 0.3333333 0.7071068), wk = 0.0026178 k( 153) = ( 0.3205128 0.3205128 0.7071068), wk = 0.0026178 k( 154) = ( 0.3076923 0.3076923 0.7071068), wk = 0.0026178 k( 155) = ( 0.2948718 0.2948718 0.7071068), wk = 0.0026178 k( 156) = ( 0.2820513 0.2820513 0.7071068), wk = 0.0026178 k( 157) = ( 0.2692308 0.2692308 0.7071068), wk = 0.0026178 k( 158) = ( 0.2564103 0.2564103 0.7071068), wk = 0.0026178 k( 159) = ( 0.2435897 0.2435897 0.7071068), wk = 0.0026178 k( 160) = ( 0.2307692 0.2307692 0.7071068), wk = 0.0026178 k( 161) = ( 0.2179487 0.2179487 0.7071068), wk = 0.0026178 k( 162) = ( 0.2051282 0.2051282 0.7071068), wk = 0.0026178 k( 163) = ( 0.1923077 0.1923077 0.7071068), wk = 0.0026178 k( 164) = ( 0.1794872 0.1794872 0.7071068), wk = 0.0026178 k( 165) = ( 0.1666667 0.1666667 0.7071068), wk = 0.0026178 k( 166) = ( 0.1538461 0.1538462 0.7071068), wk = 0.0026178 k( 167) = ( 0.1410256 0.1410256 0.7071068), wk = 0.0026178 k( 168) = ( 0.1282051 0.1282051 0.7071068), wk = 0.0026178 k( 169) = ( 0.1153846 0.1153846 0.7071068), wk = 0.0026178 k( 170) = ( 0.1025641 0.1025641 0.7071068), wk = 0.0026178 k( 171) = ( 0.0897436 0.0897436 0.7071068), wk = 0.0026178 k( 172) = ( 0.0769231 0.0769231 0.7071068), wk = 0.0026178 k( 173) = ( 0.0641026 0.0641026 0.7071068), wk = 0.0026178 k( 174) = ( 0.0512821 0.0512821 0.7071068), wk = 0.0026178 k( 175) = ( 0.0384615 0.0384615 0.7071068), wk = 0.0026178 k( 176) = ( 0.0256410 0.0256410 0.7071068), wk = 0.0026178 k( 177) = ( 0.0128205 0.0128205 0.7071068), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.6889758), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.6708449), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.6527139), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.6345830), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.6164521), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.5983211), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.5801902), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.5620592), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.5439283), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.5257973), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.5076664), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.4895355), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.4714045), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.4532736), wk = 0.0026178 k( 194) = ( 0.0000000 0.0000000 0.4351426), wk = 0.0026178 k( 195) = ( 0.0000000 0.0000000 0.4170117), wk = 0.0026178 k( 196) = ( 0.0000000 0.0000000 0.3988807), wk = 0.0026178 k( 197) = ( 0.0000000 0.0000000 0.3807498), wk = 0.0026178 k( 198) = ( 0.0000000 0.0000000 0.3626189), wk = 0.0026178 k( 199) = ( 0.0000000 0.0000000 0.3444879), wk = 0.0026178 k( 200) = ( 0.0000000 0.0000000 0.3263570), wk = 0.0026178 k( 201) = ( 0.0000000 0.0000000 0.3082260), wk = 0.0026178 k( 202) = ( 0.0000000 0.0000000 0.2900951), wk = 0.0026178 k( 203) = ( 0.0000000 0.0000000 0.2719641), wk = 0.0026178 k( 204) = ( 0.0000000 0.0000000 0.2538332), wk = 0.0026178 k( 205) = ( 0.0000000 0.0000000 0.2357023), wk = 0.0026178 k( 206) = ( 0.0000000 0.0000000 0.2175713), wk = 0.0026178 k( 207) = ( 0.0000000 0.0000000 0.1994404), wk = 0.0026178 k( 208) = ( 0.0000000 0.0000000 0.1813094), wk = 0.0026178 k( 209) = ( 0.0000000 0.0000000 0.1631785), wk = 0.0026178 k( 210) = ( 0.0000000 0.0000000 0.1450475), wk = 0.0026178 k( 211) = ( 0.0000000 0.0000000 0.1269166), wk = 0.0026178 k( 212) = ( 0.0000000 0.0000000 0.1087857), wk = 0.0026178 k( 213) = ( 0.0000000 0.0000000 0.0906547), wk = 0.0026178 k( 214) = ( 0.0000000 0.0000000 0.0725238), wk = 0.0026178 k( 215) = ( 0.0000000 0.0000000 0.0543928), wk = 0.0026178 k( 216) = ( 0.0000000 0.0000000 0.0362619), wk = 0.0026178 k( 217) = ( 0.0000000 0.0000000 0.0181309), wk = 0.0026178 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 220) = ( -0.0128205 0.0128205 -0.0000000), wk = 0.0026178 k( 221) = ( -0.0256410 0.0256410 -0.0000000), wk = 0.0026178 k( 222) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0026178 k( 223) = ( -0.0512821 0.0512820 -0.0000000), wk = 0.0026178 k( 224) = ( -0.0641026 0.0641026 -0.0000000), wk = 0.0026178 k( 225) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0026178 k( 226) = ( -0.0897436 0.0897436 -0.0000000), wk = 0.0026178 k( 227) = ( -0.1025641 0.1025641 -0.0000000), wk = 0.0026178 k( 228) = ( -0.1153846 0.1153846 -0.0000000), wk = 0.0026178 k( 229) = ( -0.1282051 0.1282051 -0.0000000), wk = 0.0026178 k( 230) = ( -0.1410256 0.1410256 -0.0000000), wk = 0.0026178 k( 231) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0026178 k( 232) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026178 k( 233) = ( -0.1794872 0.1794872 -0.0000000), wk = 0.0026178 k( 234) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0026178 k( 235) = ( -0.2051282 0.2051282 -0.0000000), wk = 0.0026178 k( 236) = ( -0.2179487 0.2179487 -0.0000000), wk = 0.0026178 k( 237) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0026178 k( 238) = ( -0.2435897 0.2435897 -0.0000000), wk = 0.0026178 k( 239) = ( -0.2564103 0.2564103 -0.0000000), wk = 0.0026178 k( 240) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0026178 k( 241) = ( -0.2820513 0.2820513 -0.0000000), wk = 0.0026178 k( 242) = ( -0.2948718 0.2948718 -0.0000000), wk = 0.0026178 k( 243) = ( -0.3076923 0.3076923 -0.0000000), wk = 0.0026178 k( 244) = ( -0.3205128 0.3205128 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0026178 k( 247) = ( -0.3589744 0.3589744 -0.0000000), wk = 0.0026178 k( 248) = ( -0.3717949 0.3717949 -0.0000000), wk = 0.0026178 k( 249) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0026178 k( 250) = ( -0.3974359 0.3974359 -0.0000000), wk = 0.0026178 k( 251) = ( -0.4102564 0.4102564 -0.0000000), wk = 0.0026178 k( 252) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0026178 k( 253) = ( -0.4358974 0.4358974 -0.0000000), wk = 0.0026178 k( 254) = ( -0.4487179 0.4487179 -0.0000000), wk = 0.0026178 k( 255) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0026178 k( 256) = ( -0.4743590 0.4743590 -0.0000000), wk = 0.0026178 k( 257) = ( -0.4871795 0.4871795 -0.0000000), wk = 0.0026178 k( 258) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 259) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 260) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 261) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 262) = ( -0.5000000 0.5000000 0.0181309), wk = 0.0026178 k( 263) = ( -0.5000000 0.5000000 0.0362619), wk = 0.0026178 k( 264) = ( -0.5000000 0.5000000 0.0543928), wk = 0.0026178 k( 265) = ( -0.5000000 0.5000000 0.0725238), wk = 0.0026178 k( 266) = ( -0.5000000 0.5000000 0.0906547), wk = 0.0026178 k( 267) = ( -0.5000000 0.5000000 0.1087857), wk = 0.0026178 k( 268) = ( -0.5000000 0.5000000 0.1269166), wk = 0.0026178 k( 269) = ( -0.5000000 0.5000000 0.1450475), wk = 0.0026178 k( 270) = ( -0.5000000 0.5000000 0.1631785), wk = 0.0026178 k( 271) = ( -0.5000000 0.5000000 0.1813094), wk = 0.0026178 k( 272) = ( -0.5000000 0.5000000 0.1994404), wk = 0.0026178 k( 273) = ( -0.5000000 0.5000000 0.2175713), wk = 0.0026178 k( 274) = ( -0.5000000 0.5000000 0.2357023), wk = 0.0026178 k( 275) = ( -0.5000000 0.5000000 0.2538332), wk = 0.0026178 k( 276) = ( -0.5000000 0.5000000 0.2719641), wk = 0.0026178 k( 277) = ( -0.5000000 0.5000000 0.2900951), wk = 0.0026178 k( 278) = ( -0.5000000 0.5000000 0.3082260), wk = 0.0026178 k( 279) = ( -0.5000000 0.5000000 0.3263570), wk = 0.0026178 k( 280) = ( -0.5000000 0.5000000 0.3444879), wk = 0.0026178 k( 281) = ( -0.5000000 0.5000000 0.3626189), wk = 0.0026178 k( 282) = ( -0.5000000 0.5000000 0.3807498), wk = 0.0026178 k( 283) = ( -0.5000000 0.5000000 0.3988807), wk = 0.0026178 k( 284) = ( -0.5000000 0.5000000 0.4170117), wk = 0.0026178 k( 285) = ( -0.5000000 0.5000000 0.4351426), wk = 0.0026178 k( 286) = ( -0.5000000 0.5000000 0.4532736), wk = 0.0026178 k( 287) = ( -0.5000000 0.5000000 0.4714045), wk = 0.0026178 k( 288) = ( -0.5000000 0.5000000 0.4895355), wk = 0.0026178 k( 289) = ( -0.5000000 0.5000000 0.5076664), wk = 0.0026178 k( 290) = ( -0.5000000 0.5000000 0.5257973), wk = 0.0026178 k( 291) = ( -0.5000000 0.5000000 0.5439283), wk = 0.0026178 k( 292) = ( -0.5000000 0.5000000 0.5620592), wk = 0.0026178 k( 293) = ( -0.5000000 0.5000000 0.5801902), wk = 0.0026178 k( 294) = ( -0.5000000 0.5000000 0.5983211), wk = 0.0026178 k( 295) = ( -0.5000000 0.5000000 0.6164521), wk = 0.0026178 k( 296) = ( -0.5000000 0.5000000 0.6345830), wk = 0.0026178 k( 297) = ( -0.5000000 0.5000000 0.6527139), wk = 0.0026178 k( 298) = ( -0.5000000 0.5000000 0.6708449), wk = 0.0026178 k( 299) = ( -0.5000000 0.5000000 0.6889758), wk = 0.0026178 k( 300) = ( -0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 301) = ( -0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 302) = ( -0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 303) = ( -0.5000000 0.5000000 0.7071068), wk = 0.0026178 k( 304) = ( -0.5000000 0.5000000 0.6889758), wk = 0.0026178 k( 305) = ( -0.5000000 0.5000000 0.6708449), wk = 0.0026178 k( 306) = ( -0.5000000 0.5000000 0.6527139), wk = 0.0026178 k( 307) = ( -0.5000000 0.5000000 0.6345830), wk = 0.0026178 k( 308) = ( -0.5000000 0.5000000 0.6164521), wk = 0.0026178 k( 309) = ( -0.5000000 0.5000000 0.5983211), wk = 0.0026178 k( 310) = ( -0.5000000 0.5000000 0.5801902), wk = 0.0026178 k( 311) = ( -0.5000000 0.5000000 0.5620592), wk = 0.0026178 k( 312) = ( -0.5000000 0.5000000 0.5439283), wk = 0.0026178 k( 313) = ( -0.5000000 0.5000000 0.5257973), wk = 0.0026178 k( 314) = ( -0.5000000 0.5000000 0.5076664), wk = 0.0026178 k( 315) = ( -0.5000000 0.5000000 0.4895355), wk = 0.0026178 k( 316) = ( -0.5000000 0.5000000 0.4714045), wk = 0.0026178 k( 317) = ( -0.5000000 0.5000000 0.4532736), wk = 0.0026178 k( 318) = ( -0.5000000 0.5000000 0.4351426), wk = 0.0026178 k( 319) = ( -0.5000000 0.5000000 0.4170117), wk = 0.0026178 k( 320) = ( -0.5000000 0.5000000 0.3988807), wk = 0.0026178 k( 321) = ( -0.5000000 0.5000000 0.3807498), wk = 0.0026178 k( 322) = ( -0.5000000 0.5000000 0.3626189), wk = 0.0026178 k( 323) = ( -0.5000000 0.5000000 0.3444879), wk = 0.0026178 k( 324) = ( -0.5000000 0.5000000 0.3263570), wk = 0.0026178 k( 325) = ( -0.5000000 0.5000000 0.3082260), wk = 0.0026178 k( 326) = ( -0.5000000 0.5000000 0.2900951), wk = 0.0026178 k( 327) = ( -0.5000000 0.5000000 0.2719641), wk = 0.0026178 k( 328) = ( -0.5000000 0.5000000 0.2538332), wk = 0.0026178 k( 329) = ( -0.5000000 0.5000000 0.2357023), wk = 0.0026178 k( 330) = ( -0.5000000 0.5000000 0.2175713), wk = 0.0026178 k( 331) = ( -0.5000000 0.5000000 0.1994404), wk = 0.0026178 k( 332) = ( -0.5000000 0.5000000 0.1813094), wk = 0.0026178 k( 333) = ( -0.5000000 0.5000000 0.1631785), wk = 0.0026178 k( 334) = ( -0.5000000 0.5000000 0.1450475), wk = 0.0026178 k( 335) = ( -0.5000000 0.5000000 0.1269166), wk = 0.0026178 k( 336) = ( -0.5000000 0.5000000 0.1087857), wk = 0.0026178 k( 337) = ( -0.5000000 0.5000000 0.0906547), wk = 0.0026178 k( 338) = ( -0.5000000 0.5000000 0.0725238), wk = 0.0026178 k( 339) = ( -0.5000000 0.5000000 0.0543928), wk = 0.0026178 k( 340) = ( -0.5000000 0.5000000 0.0362619), wk = 0.0026178 k( 341) = ( -0.5000000 0.5000000 0.0181309), wk = 0.0026178 k( 342) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 343) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0026178 k( 344) = ( -0.0128205 0.0128205 0.7071068), wk = 0.0026178 k( 345) = ( -0.0256410 0.0256410 0.7071068), wk = 0.0026178 k( 346) = ( -0.0384615 0.0384615 0.7071068), wk = 0.0026178 k( 347) = ( -0.0512821 0.0512820 0.7071068), wk = 0.0026178 k( 348) = ( -0.0641026 0.0641026 0.7071068), wk = 0.0026178 k( 349) = ( -0.0769231 0.0769231 0.7071068), wk = 0.0026178 k( 350) = ( -0.0897436 0.0897436 0.7071068), wk = 0.0026178 k( 351) = ( -0.1025641 0.1025641 0.7071068), wk = 0.0026178 k( 352) = ( -0.1153846 0.1153846 0.7071068), wk = 0.0026178 k( 353) = ( -0.1282051 0.1282051 0.7071068), wk = 0.0026178 k( 354) = ( -0.1410256 0.1410256 0.7071068), wk = 0.0026178 k( 355) = ( -0.1538461 0.1538461 0.7071068), wk = 0.0026178 k( 356) = ( -0.1666667 0.1666667 0.7071068), wk = 0.0026178 k( 357) = ( -0.1794872 0.1794872 0.7071068), wk = 0.0026178 k( 358) = ( -0.1923077 0.1923077 0.7071068), wk = 0.0026178 k( 359) = ( -0.2051282 0.2051282 0.7071068), wk = 0.0026178 k( 360) = ( -0.2179487 0.2179487 0.7071068), wk = 0.0026178 k( 361) = ( -0.2307692 0.2307692 0.7071068), wk = 0.0026178 k( 362) = ( -0.2435897 0.2435897 0.7071068), wk = 0.0026178 k( 363) = ( -0.2564103 0.2564103 0.7071068), wk = 0.0026178 k( 364) = ( -0.2692308 0.2692308 0.7071068), wk = 0.0026178 k( 365) = ( -0.2820513 0.2820513 0.7071068), wk = 0.0026178 k( 366) = ( -0.2948718 0.2948718 0.7071068), wk = 0.0026178 k( 367) = ( -0.3076923 0.3076923 0.7071068), wk = 0.0026178 k( 368) = ( -0.3205128 0.3205128 0.7071068), wk = 0.0026178 k( 369) = ( -0.3333333 0.3333333 0.7071068), wk = 0.0026178 k( 370) = ( -0.3461538 0.3461538 0.7071068), wk = 0.0026178 k( 371) = ( -0.3589744 0.3589744 0.7071068), wk = 0.0026178 k( 372) = ( -0.3717949 0.3717949 0.7071068), wk = 0.0026178 k( 373) = ( -0.3846154 0.3846154 0.7071068), wk = 0.0026178 k( 374) = ( -0.3974359 0.3974359 0.7071068), wk = 0.0026178 k( 375) = ( -0.4102564 0.4102564 0.7071068), wk = 0.0026178 k( 376) = ( -0.4230769 0.4230769 0.7071068), wk = 0.0026178 k( 377) = ( -0.4358974 0.4358974 0.7071068), wk = 0.0026178 k( 378) = ( -0.4487179 0.4487179 0.7071068), wk = 0.0026178 k( 379) = ( -0.4615385 0.4615385 0.7071068), wk = 0.0026178 k( 380) = ( -0.4743590 0.4743590 0.7071068), wk = 0.0026178 k( 381) = ( -0.4871795 0.4871795 0.7071068), wk = 0.0026178 k( 382) = ( -0.5000000 0.5000000 0.7071068), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0026178 k( 3) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0026178 k( 4) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0026178 k( 6) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0026178 k( 7) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0026178 k( 9) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0026178 k( 10) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0026178 k( 11) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0026178 k( 12) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0026178 k( 13) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0026178 k( 14) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0026178 k( 16) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0026178 k( 17) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0026178 k( 18) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0026178 k( 19) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0026178 k( 20) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0026178 k( 21) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0026178 k( 22) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0026178 k( 23) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0026178 k( 24) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0026178 k( 25) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0026178 k( 26) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0026178 k( 27) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 28) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0026178 k( 29) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0026178 k( 30) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0026178 k( 31) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0026178 k( 32) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0026178 k( 33) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0026178 k( 34) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0026178 k( 35) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0026178 k( 36) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0026178 k( 37) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0026178 k( 38) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0026178 k( 39) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0026178 k( 40) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 41) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026178 k( 42) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0026178 k( 43) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0026178 k( 44) = ( 0.4464286 0.5000000 0.0000000), wk = 0.0026178 k( 45) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026178 k( 46) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0026178 k( 47) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026178 k( 48) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0026178 k( 49) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026178 k( 50) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0026178 k( 51) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026178 k( 52) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0026178 k( 53) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026178 k( 54) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0026178 k( 55) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026178 k( 56) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0026178 k( 57) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0026178 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026178 k( 60) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0026178 k( 61) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026178 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0026178 k( 63) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026178 k( 64) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0026178 k( 65) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026178 k( 66) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0026178 k( 67) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026178 k( 68) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0026178 k( 69) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 70) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 71) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0026178 k( 72) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0026178 k( 73) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026178 k( 74) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0026178 k( 75) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0026178 k( 76) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026178 k( 77) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0026178 k( 78) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0026178 k( 79) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026178 k( 80) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0026178 k( 81) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0026178 k( 82) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026178 k( 83) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026178 k( 84) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0026178 k( 85) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026178 k( 86) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0026178 k( 87) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0026178 k( 88) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026178 k( 89) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0026178 k( 90) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0026178 k( 91) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026178 k( 92) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0026178 k( 93) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0026178 k( 94) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026178 k( 95) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0026178 k( 96) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026178 k( 97) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026178 k( 98) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0026178 k( 99) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0026178 k( 100) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026178 k( 101) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0026178 k( 102) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0026178 k( 103) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026178 k( 104) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0026178 k( 105) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0026178 k( 106) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026178 k( 107) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0026178 k( 108) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0026178 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 110) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 111) = ( 0.0178571 0.5000000 0.5000000), wk = 0.0026178 k( 112) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026178 k( 113) = ( 0.0535714 0.5000000 0.5000000), wk = 0.0026178 k( 114) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026178 k( 115) = ( 0.0892857 0.5000000 0.5000000), wk = 0.0026178 k( 116) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026178 k( 117) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0026178 k( 118) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026178 k( 119) = ( 0.1607143 0.5000000 0.5000000), wk = 0.0026178 k( 120) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026178 k( 121) = ( 0.1964286 0.5000000 0.5000000), wk = 0.0026178 k( 122) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026178 k( 123) = ( 0.2321429 0.5000000 0.5000000), wk = 0.0026178 k( 124) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026178 k( 125) = ( 0.2678571 0.5000000 0.5000000), wk = 0.0026178 k( 126) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026178 k( 127) = ( 0.3035714 0.5000000 0.5000000), wk = 0.0026178 k( 128) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026178 k( 129) = ( 0.3392857 0.5000000 0.5000000), wk = 0.0026178 k( 130) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026178 k( 131) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0026178 k( 132) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026178 k( 133) = ( 0.4107143 0.5000000 0.5000000), wk = 0.0026178 k( 134) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026178 k( 135) = ( 0.4464286 0.5000000 0.5000000), wk = 0.0026178 k( 136) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026178 k( 137) = ( 0.4821429 0.5000000 0.5000000), wk = 0.0026178 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 139) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 140) = ( 0.4871795 0.4871795 0.5000000), wk = 0.0026178 k( 141) = ( 0.4743590 0.4743590 0.5000000), wk = 0.0026178 k( 142) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0026178 k( 143) = ( 0.4487179 0.4487179 0.5000000), wk = 0.0026178 k( 144) = ( 0.4358974 0.4358974 0.5000000), wk = 0.0026178 k( 145) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0026178 k( 146) = ( 0.4102564 0.4102564 0.5000000), wk = 0.0026178 k( 147) = ( 0.3974359 0.3974359 0.5000000), wk = 0.0026178 k( 148) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0026178 k( 149) = ( 0.3717949 0.3717949 0.5000000), wk = 0.0026178 k( 150) = ( 0.3589744 0.3589744 0.5000000), wk = 0.0026178 k( 151) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0026178 k( 152) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026178 k( 153) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0026178 k( 154) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0026178 k( 155) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0026178 k( 156) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0026178 k( 157) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0026178 k( 158) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0026178 k( 159) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0026178 k( 160) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0026178 k( 161) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0026178 k( 162) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0026178 k( 163) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0026178 k( 164) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0026178 k( 165) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026178 k( 166) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0026178 k( 167) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0026178 k( 168) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0026178 k( 169) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0026178 k( 170) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0026178 k( 171) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0026178 k( 172) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0026178 k( 173) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0026178 k( 174) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0026178 k( 175) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0026178 k( 176) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0026178 k( 177) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026178 k( 192) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026178 k( 193) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0026178 k( 194) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026178 k( 195) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0026178 k( 196) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0026178 k( 197) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026178 k( 198) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0026178 k( 199) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0026178 k( 200) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026178 k( 201) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0026178 k( 202) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0026178 k( 203) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026178 k( 204) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0026178 k( 205) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026178 k( 206) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026178 k( 207) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0026178 k( 208) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0026178 k( 209) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026178 k( 210) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0026178 k( 211) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0026178 k( 212) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026178 k( 213) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0026178 k( 214) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0026178 k( 215) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026178 k( 216) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0026178 k( 217) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0026178 k( 218) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 219) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 220) = ( -0.0128205 0.0128205 -0.0000000), wk = 0.0026178 k( 221) = ( -0.0256410 0.0256410 -0.0000000), wk = 0.0026178 k( 222) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0026178 k( 223) = ( -0.0512821 0.0512821 -0.0000000), wk = 0.0026178 k( 224) = ( -0.0641026 0.0641026 -0.0000000), wk = 0.0026178 k( 225) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0026178 k( 226) = ( -0.0897436 0.0897436 -0.0000000), wk = 0.0026178 k( 227) = ( -0.1025641 0.1025641 -0.0000000), wk = 0.0026178 k( 228) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0026178 k( 229) = ( -0.1282051 0.1282051 -0.0000000), wk = 0.0026178 k( 230) = ( -0.1410256 0.1410256 0.0000000), wk = 0.0026178 k( 231) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0026178 k( 232) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026178 k( 233) = ( -0.1794872 0.1794872 -0.0000000), wk = 0.0026178 k( 234) = ( -0.1923077 0.1923077 -0.0000000), wk = 0.0026178 k( 235) = ( -0.2051282 0.2051282 0.0000000), wk = 0.0026178 k( 236) = ( -0.2179487 0.2179487 0.0000000), wk = 0.0026178 k( 237) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0026178 k( 238) = ( -0.2435897 0.2435897 0.0000000), wk = 0.0026178 k( 239) = ( -0.2564103 0.2564103 -0.0000000), wk = 0.0026178 k( 240) = ( -0.2692308 0.2692308 -0.0000000), wk = 0.0026178 k( 241) = ( -0.2820513 0.2820513 0.0000000), wk = 0.0026178 k( 242) = ( -0.2948718 0.2948718 0.0000000), wk = 0.0026178 k( 243) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0026178 k( 244) = ( -0.3205128 0.3205128 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3461538 0.3461538 -0.0000000), wk = 0.0026178 k( 247) = ( -0.3589744 0.3589744 -0.0000000), wk = 0.0026178 k( 248) = ( -0.3717949 0.3717949 -0.0000000), wk = 0.0026178 k( 249) = ( -0.3846154 0.3846154 -0.0000000), wk = 0.0026178 k( 250) = ( -0.3974359 0.3974359 0.0000000), wk = 0.0026178 k( 251) = ( -0.4102564 0.4102564 0.0000000), wk = 0.0026178 k( 252) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0026178 k( 253) = ( -0.4358974 0.4358974 0.0000000), wk = 0.0026178 k( 254) = ( -0.4487179 0.4487179 0.0000000), wk = 0.0026178 k( 255) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0026178 k( 256) = ( -0.4743590 0.4743590 0.0000000), wk = 0.0026178 k( 257) = ( -0.4871795 0.4871795 -0.0000000), wk = 0.0026178 k( 258) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 259) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 260) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 261) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 262) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0026178 k( 263) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0026178 k( 264) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0026178 k( 265) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0026178 k( 266) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0026178 k( 267) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0026178 k( 268) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0026178 k( 269) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0026178 k( 270) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0026178 k( 271) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0026178 k( 272) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0026178 k( 273) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0026178 k( 274) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026178 k( 275) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0026178 k( 276) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0026178 k( 277) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0026178 k( 278) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0026178 k( 279) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0026178 k( 280) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0026178 k( 281) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0026178 k( 282) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0026178 k( 283) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0026178 k( 284) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0026178 k( 285) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0026178 k( 286) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0026178 k( 287) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026178 k( 288) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0026178 k( 289) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0026178 k( 290) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0026178 k( 291) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0026178 k( 292) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0026178 k( 293) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0026178 k( 294) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0026178 k( 295) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0026178 k( 296) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0026178 k( 297) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0026178 k( 298) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0026178 k( 299) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0026178 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 301) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 302) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 304) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0026178 k( 305) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0026178 k( 306) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0026178 k( 307) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0026178 k( 308) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0026178 k( 309) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0026178 k( 310) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0026178 k( 311) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0026178 k( 312) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0026178 k( 313) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0026178 k( 314) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0026178 k( 315) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0026178 k( 316) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026178 k( 317) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0026178 k( 318) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0026178 k( 319) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0026178 k( 320) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0026178 k( 321) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0026178 k( 322) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0026178 k( 323) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0026178 k( 324) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0026178 k( 325) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0026178 k( 326) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0026178 k( 327) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0026178 k( 328) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0026178 k( 329) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026178 k( 330) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0026178 k( 331) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0026178 k( 332) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0026178 k( 333) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0026178 k( 334) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0026178 k( 335) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0026178 k( 336) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0026178 k( 337) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0026178 k( 338) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0026178 k( 339) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0026178 k( 340) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0026178 k( 341) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0026178 k( 342) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 343) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 344) = ( -0.0128205 0.0128205 0.5000000), wk = 0.0026178 k( 345) = ( -0.0256410 0.0256410 0.5000000), wk = 0.0026178 k( 346) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0026178 k( 347) = ( -0.0512821 0.0512821 0.5000000), wk = 0.0026178 k( 348) = ( -0.0641026 0.0641026 0.5000000), wk = 0.0026178 k( 349) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0026178 k( 350) = ( -0.0897436 0.0897436 0.5000000), wk = 0.0026178 k( 351) = ( -0.1025641 0.1025641 0.5000000), wk = 0.0026178 k( 352) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0026178 k( 353) = ( -0.1282051 0.1282051 0.5000000), wk = 0.0026178 k( 354) = ( -0.1410256 0.1410256 0.5000000), wk = 0.0026178 k( 355) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0026178 k( 356) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026178 k( 357) = ( -0.1794872 0.1794872 0.5000000), wk = 0.0026178 k( 358) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0026178 k( 359) = ( -0.2051282 0.2051282 0.5000000), wk = 0.0026178 k( 360) = ( -0.2179487 0.2179487 0.5000000), wk = 0.0026178 k( 361) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0026178 k( 362) = ( -0.2435897 0.2435897 0.5000000), wk = 0.0026178 k( 363) = ( -0.2564103 0.2564103 0.5000000), wk = 0.0026178 k( 364) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0026178 k( 365) = ( -0.2820513 0.2820513 0.5000000), wk = 0.0026178 k( 366) = ( -0.2948718 0.2948718 0.5000000), wk = 0.0026178 k( 367) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0026178 k( 368) = ( -0.3205128 0.3205128 0.5000000), wk = 0.0026178 k( 369) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026178 k( 370) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0026178 k( 371) = ( -0.3589744 0.3589744 0.5000000), wk = 0.0026178 k( 372) = ( -0.3717949 0.3717949 0.5000000), wk = 0.0026178 k( 373) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0026178 k( 374) = ( -0.3974359 0.3974359 0.5000000), wk = 0.0026178 k( 375) = ( -0.4102564 0.4102564 0.5000000), wk = 0.0026178 k( 376) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0026178 k( 377) = ( -0.4358974 0.4358974 0.5000000), wk = 0.0026178 k( 378) = ( -0.4487179 0.4487179 0.5000000), wk = 0.0026178 k( 379) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0026178 k( 380) = ( -0.4743590 0.4743590 0.5000000), wk = 0.0026178 k( 381) = ( -0.4871795 0.4871795 0.5000000), wk = 0.0026178 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 129333 G-vectors FFT dimensions: ( 72, 72, 50) Smooth grid: 38045 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 276, 44) NL pseudopotentials 0.27 Mb ( 138, 130) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3594) G-vector shells 0.01 Mb ( 866) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 276, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.17 Mb ( 130, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./HgxNClx2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.5 secs Computing kpt #: 22 total cpu time spent up to now is 10.8 secs Computing kpt #: 23 total cpu time spent up to now is 11.2 secs Computing kpt #: 24 total cpu time spent up to now is 11.5 secs Computing kpt #: 25 total cpu time spent up to now is 11.8 secs Computing kpt #: 26 total cpu time spent up to now is 12.1 secs Computing kpt #: 27 total cpu time spent up to now is 12.5 secs Computing kpt #: 28 total cpu time spent up to now is 12.8 secs Computing kpt #: 29 total cpu time spent up to now is 13.1 secs Computing kpt #: 30 total cpu time spent up to now is 13.4 secs Computing kpt #: 31 total cpu time spent up to now is 13.7 secs Computing kpt #: 32 total cpu time spent up to now is 14.0 secs Computing kpt #: 33 total cpu time spent up to now is 14.4 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.3 secs Computing kpt #: 37 total cpu time spent up to now is 15.6 secs Computing kpt #: 38 total cpu time spent up to now is 16.0 secs Computing kpt #: 39 total cpu time spent up to now is 16.3 secs Computing kpt #: 40 total cpu time spent up to now is 16.6 secs Computing kpt #: 41 total cpu time spent up to now is 16.9 secs Computing kpt #: 42 total cpu time spent up to now is 17.2 secs Computing kpt #: 43 total cpu time spent up to now is 17.5 secs Computing kpt #: 44 total cpu time spent up to now is 17.9 secs Computing kpt #: 45 total cpu time spent up to now is 18.2 secs Computing kpt #: 46 total cpu time spent up to now is 18.5 secs Computing kpt #: 47 total cpu time spent up to now is 18.8 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.5 secs Computing kpt #: 50 total cpu time spent up to now is 19.8 secs Computing kpt #: 51 total cpu time spent up to now is 20.1 secs Computing kpt #: 52 total cpu time spent up to now is 20.5 secs Computing kpt #: 53 total cpu time spent up to now is 20.8 secs Computing kpt #: 54 total cpu time spent up to now is 21.1 secs Computing kpt #: 55 total cpu time spent up to now is 21.4 secs Computing kpt #: 56 total cpu time spent up to now is 21.7 secs Computing kpt #: 57 total cpu time spent up to now is 22.1 secs Computing kpt #: 58 total cpu time spent up to now is 22.4 secs Computing kpt #: 59 total cpu time spent up to now is 22.7 secs Computing kpt #: 60 total cpu time spent up to now is 23.0 secs Computing kpt #: 61 total cpu time spent up to now is 23.3 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.0 secs Computing kpt #: 64 total cpu time spent up to now is 24.3 secs Computing kpt #: 65 total cpu time spent up to now is 24.6 secs Computing kpt #: 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29.7 secs Computing kpt #: 82 total cpu time spent up to now is 30.1 secs Computing kpt #: 83 total cpu time spent up to now is 30.4 secs Computing kpt #: 84 total cpu time spent up to now is 30.7 secs Computing kpt #: 85 total cpu time spent up to now is 31.1 secs Computing kpt #: 86 total cpu time spent up to now is 31.4 secs Computing kpt #: 87 total cpu time spent up to now is 31.8 secs Computing kpt #: 88 total cpu time spent up to now is 32.1 secs Computing kpt #: 89 total cpu time spent up to now is 32.5 secs Computing kpt #: 90 total cpu time spent up to now is 32.8 secs Computing kpt #: 91 total cpu time spent up to now is 33.2 secs Computing kpt #: 92 total cpu time spent up to now is 33.5 secs Computing kpt #: 93 total cpu time spent up to now is 33.9 secs Computing kpt #: 94 total cpu time spent up to now is 34.2 secs Computing kpt #: 95 total cpu time spent up to now is 34.6 secs Computing kpt #: 96 total cpu time spent up to now is 34.9 secs Computing kpt #: 97 total cpu 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40.4 secs Computing kpt #: 113 total cpu time spent up to now is 40.8 secs Computing kpt #: 114 total cpu time spent up to now is 41.1 secs Computing kpt #: 115 total cpu time spent up to now is 41.5 secs Computing kpt #: 116 total cpu time spent up to now is 41.8 secs Computing kpt #: 117 total cpu time spent up to now is 42.1 secs Computing kpt #: 118 total cpu time spent up to now is 42.5 secs Computing kpt #: 119 total cpu time spent up to now is 42.8 secs Computing kpt #: 120 total cpu time spent up to now is 43.2 secs Computing kpt #: 121 total cpu time spent up to now is 43.5 secs Computing kpt #: 122 total cpu time spent up to now is 43.9 secs Computing kpt #: 123 total cpu time spent up to now is 44.2 secs Computing kpt #: 124 total cpu time spent up to now is 44.6 secs Computing kpt #: 125 total cpu time spent up to now is 44.9 secs Computing kpt #: 126 total cpu time spent up to now is 45.3 secs Computing kpt #: 127 total cpu time spent up to now is 45.6 secs Computing kpt 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spent up to now is 50.8 secs Computing kpt #: 144 total cpu time spent up to now is 51.1 secs Computing kpt #: 145 total cpu time spent up to now is 51.4 secs Computing kpt #: 146 total cpu time spent up to now is 51.8 secs Computing kpt #: 147 total cpu time spent up to now is 52.1 secs Computing kpt #: 148 total cpu time spent up to now is 52.5 secs Computing kpt #: 149 total cpu time spent up to now is 52.8 secs Computing kpt #: 150 total cpu time spent up to now is 53.2 secs Computing kpt #: 151 total cpu time spent up to now is 53.6 secs Computing kpt #: 152 total cpu time spent up to now is 53.9 secs Computing kpt #: 153 total cpu time spent up to now is 54.2 secs Computing kpt #: 154 total cpu time spent up to now is 54.6 secs Computing kpt #: 155 total cpu time spent up to now is 55.0 secs Computing kpt #: 156 total cpu time spent up to now is 55.3 secs Computing kpt #: 157 total cpu time spent up to now is 55.7 secs Computing kpt #: 158 total cpu time spent up to now is 56.0 secs Computing kpt #: 159 total cpu time spent up to now is 56.4 secs Computing kpt #: 160 total cpu time spent up to now is 56.7 secs Computing kpt #: 161 total cpu time spent up to now is 57.1 secs Computing kpt #: 162 total cpu time spent up to now is 57.5 secs Computing kpt #: 163 total cpu time spent up to now is 57.8 secs Computing kpt #: 164 total cpu time spent up to now is 58.2 secs Computing kpt #: 165 total cpu time spent up to now is 58.5 secs Computing kpt #: 166 total cpu time spent up to now is 58.9 secs Computing kpt #: 167 total cpu time spent up to now is 59.3 secs Computing kpt #: 168 total cpu time spent up to now is 59.6 secs Computing kpt #: 169 total cpu time spent up to now is 60.0 secs Computing kpt #: 170 total cpu time spent up to now is 60.4 secs Computing kpt #: 171 total cpu time spent up to now is 60.7 secs Computing kpt #: 172 total cpu time spent up to now is 61.1 secs Computing kpt #: 173 total cpu time spent up to now is 61.4 secs Computing kpt #: 174 total cpu time spent up to now is 61.8 secs Computing kpt #: 175 total cpu time spent up to now is 62.1 secs Computing kpt #: 176 total cpu time spent up to now is 62.5 secs Computing kpt #: 177 total cpu time spent up to now is 62.8 secs Computing kpt #: 178 total cpu time spent up to now is 63.1 secs Computing kpt #: 179 total cpu time spent up to now is 63.5 secs Computing kpt #: 180 total cpu time spent up to now is 63.8 secs Computing kpt #: 181 total cpu time spent up to now is 64.2 secs Computing kpt #: 182 total cpu time spent up to now is 64.5 secs Computing kpt #: 183 total cpu time spent up to now is 64.9 secs Computing kpt #: 184 total cpu time spent up to now is 65.2 secs Computing kpt #: 185 total cpu time spent up to now is 65.6 secs Computing kpt #: 186 total cpu time spent up to now is 65.9 secs Computing kpt #: 187 total cpu time spent up to now is 66.3 secs Computing kpt #: 188 total cpu time spent up to now is 66.7 secs Computing kpt #: 189 total cpu time spent up to now is 67.0 secs Computing kpt #: 190 total cpu time spent up to now is 67.4 secs Computing kpt #: 191 total cpu time spent up to now is 67.7 secs Computing kpt #: 192 total cpu time spent up to now is 68.1 secs Computing kpt #: 193 total cpu time spent up to now is 68.4 secs Computing kpt #: 194 total cpu time spent up to now is 68.8 secs Computing kpt #: 195 total cpu time spent up to now is 69.1 secs Computing kpt #: 196 total cpu time spent up to now is 69.5 secs Computing kpt #: 197 total cpu time spent up to now is 69.8 secs Computing kpt #: 198 total cpu time spent up to now is 70.1 secs Computing kpt #: 199 total cpu time spent up to now is 70.5 secs Computing kpt #: 200 total cpu time spent up to now is 71.0 secs Computing kpt #: 201 total cpu time spent up to now is 71.3 secs Computing kpt #: 202 total cpu time spent up to now is 71.6 secs Computing kpt #: 203 total cpu time spent up to now is 72.0 secs Computing kpt #: 204 total cpu time spent up to now is 72.3 secs Computing kpt #: 205 total cpu time spent up to now is 72.6 secs Computing kpt #: 206 total cpu time spent up to now is 73.0 secs Computing kpt #: 207 total cpu time spent up to now is 73.3 secs Computing kpt #: 208 total cpu time spent up to now is 73.6 secs Computing kpt #: 209 total cpu time spent up to now is 74.0 secs Computing kpt #: 210 total cpu time spent up to now is 74.3 secs Computing kpt #: 211 total cpu time spent up to now is 74.6 secs Computing kpt #: 212 total cpu time spent up to now is 74.9 secs Computing kpt #: 213 total cpu time spent up to now is 75.3 secs Computing kpt #: 214 total cpu time spent up to now is 75.6 secs Computing kpt #: 215 total cpu time spent up to now is 75.9 secs Computing kpt #: 216 total cpu time spent up to now is 76.2 secs Computing kpt #: 217 total cpu time spent up to now is 76.5 secs Computing kpt #: 218 total cpu time spent up to now is 76.8 secs Computing kpt #: 219 total cpu time spent up to now is 77.1 secs Computing kpt #: 220 total cpu time spent up to now is 77.4 secs Computing kpt #: 221 total cpu time spent up to now is 77.7 secs Computing kpt #: 222 total cpu time spent up to now is 78.0 secs Computing kpt #: 223 total cpu time spent up to now is 78.4 secs Computing kpt #: 224 total cpu time spent up to now is 78.7 secs Computing kpt #: 225 total cpu time spent up to now is 79.0 secs Computing kpt #: 226 total cpu time spent up to now is 79.3 secs Computing kpt #: 227 total cpu time spent up to now is 79.6 secs Computing kpt #: 228 total cpu time spent up to now is 79.9 secs Computing kpt #: 229 total cpu time spent up to now is 80.2 secs Computing kpt #: 230 total cpu time spent up to now is 80.5 secs Computing kpt #: 231 total cpu time spent up to now is 80.8 secs Computing kpt #: 232 total cpu time spent up to now is 81.2 secs Computing kpt #: 233 total cpu time spent up to now is 81.5 secs Computing kpt #: 234 total cpu time spent up to now is 81.8 secs Computing kpt #: 235 total cpu time spent up to now is 82.1 secs Computing kpt #: 236 total cpu time spent up to now is 82.4 secs Computing kpt #: 237 total cpu time spent up to now is 82.7 secs Computing kpt #: 238 total cpu time spent up to now is 83.1 secs Computing kpt #: 239 total cpu time spent up to now is 83.4 secs Computing kpt #: 240 total cpu time spent up to now is 83.7 secs Computing kpt #: 241 total cpu time spent up to now is 84.0 secs Computing kpt #: 242 total cpu time spent up to now is 84.3 secs Computing kpt #: 243 total cpu time spent up to now is 84.7 secs Computing kpt #: 244 total cpu time spent up to now is 85.0 secs Computing kpt #: 245 total cpu time spent up to now is 85.3 secs Computing kpt #: 246 total cpu time spent up to now is 85.6 secs Computing kpt #: 247 total cpu time spent up to now is 85.9 secs Computing kpt #: 248 total cpu time spent up to now is 86.2 secs Computing kpt #: 249 total cpu time spent up to now is 86.6 secs Computing kpt #: 250 total cpu time spent up to now is 86.9 secs Computing kpt #: 251 total cpu time spent up to now is 87.2 secs Computing kpt #: 252 total cpu time spent up to now is 87.5 secs Computing kpt #: 253 total cpu time spent up to now is 87.8 secs Computing kpt #: 254 total cpu time spent up to now is 88.2 secs Computing kpt #: 255 total cpu time spent up to now is 88.5 secs Computing kpt #: 256 total cpu time spent up to now is 88.8 secs Computing kpt #: 257 total cpu time spent up to now is 89.1 secs Computing kpt #: 258 total cpu time spent up to now is 89.4 secs Computing kpt #: 259 total cpu time spent up to now is 89.8 secs Computing kpt #: 260 total cpu time spent up to now is 90.1 secs Computing kpt #: 261 total cpu time spent up to now is 90.4 secs Computing kpt #: 262 total cpu time spent up to now is 90.7 secs Computing kpt #: 263 total cpu time spent up to now is 91.0 secs Computing kpt #: 264 total cpu time spent up to now is 91.4 secs Computing kpt #: 265 total cpu time spent up to now is 91.7 secs Computing kpt #: 266 total cpu time spent up to now is 92.0 secs Computing kpt #: 267 total cpu time spent up to now is 92.3 secs Computing kpt #: 268 total cpu time spent up to now is 92.7 secs Computing kpt #: 269 total cpu time spent up to now is 93.0 secs Computing kpt #: 270 total cpu time spent up to now is 93.3 secs Computing kpt #: 271 total cpu time spent up to now is 93.7 secs Computing kpt #: 272 total cpu time spent up to now is 94.0 secs Computing kpt #: 273 total cpu time spent up to now is 94.4 secs Computing kpt #: 274 total cpu time spent up to now is 94.7 secs Computing kpt #: 275 total cpu time spent up to now is 95.1 secs Computing kpt #: 276 total cpu time spent up to now is 95.4 secs Computing kpt #: 277 total cpu time spent up to now is 95.8 secs Computing kpt #: 278 total cpu time spent up to now is 96.1 secs Computing kpt #: 279 total cpu time spent up to now is 96.5 secs Computing kpt #: 280 total cpu time spent up to now is 96.8 secs Computing kpt #: 281 total cpu time spent up to now is 97.2 secs Computing kpt #: 282 total cpu time spent up to now is 97.5 secs Computing kpt #: 283 total cpu time spent up to now is 97.9 secs Computing kpt #: 284 total cpu time spent up to now is 98.2 secs Computing kpt #: 285 total cpu time spent up to now is 98.6 secs Computing kpt #: 286 total cpu time spent up to now is 99.0 secs Computing kpt #: 287 total cpu time spent up to now is 99.3 secs Computing kpt #: 288 total cpu time spent up to now is 99.7 secs Computing kpt #: 289 total cpu time spent up to now is 100.0 secs Computing kpt #: 290 total cpu time spent up to now is 100.4 secs Computing kpt #: 291 total cpu time spent up to now is 100.7 secs Computing kpt #: 292 total cpu time spent up to now is 101.1 secs Computing kpt #: 293 total cpu time spent up to now is 101.4 secs Computing kpt #: 294 total cpu time spent up to now is 101.8 secs Computing kpt #: 295 total cpu time spent up to now is 102.1 secs Computing kpt #: 296 total cpu time spent up to now is 102.5 secs Computing kpt #: 297 total cpu time spent up to now is 102.8 secs Computing kpt #: 298 total cpu time spent up to now is 103.1 secs Computing kpt #: 299 total cpu time spent up to now is 103.4 secs Computing kpt #: 300 total cpu time spent up to now is 103.8 secs Computing kpt #: 301 total cpu time spent up to now is 104.1 secs Computing kpt #: 302 total cpu time spent up to now is 104.4 secs Computing kpt #: 303 total cpu time spent up to now is 104.7 secs Computing kpt #: 304 total cpu time spent up to now is 105.0 secs Computing kpt #: 305 total cpu time spent up to now is 105.3 secs Computing kpt #: 306 total cpu time spent up to now is 105.7 secs Computing kpt #: 307 total cpu time spent up to now is 106.1 secs Computing kpt #: 308 total cpu time spent up to now is 106.4 secs Computing kpt #: 309 total cpu time spent up to now is 106.8 secs Computing kpt #: 310 total cpu time spent up to now is 107.1 secs Computing kpt #: 311 total cpu time spent up to now is 107.5 secs Computing kpt #: 312 total cpu time spent up to now is 107.8 secs Computing kpt #: 313 total cpu time spent up to now is 108.2 secs Computing kpt #: 314 total cpu time spent up to now is 108.5 secs Computing kpt #: 315 total cpu time spent up to now is 108.9 secs Computing kpt #: 316 total cpu time spent up to now is 109.2 secs Computing kpt #: 317 total cpu time spent up to now is 109.6 secs Computing kpt #: 318 total cpu time spent up to now is 109.9 secs Computing kpt #: 319 total cpu time spent up to now is 110.4 secs Computing kpt #: 320 total cpu time spent up to now is 110.8 secs Computing kpt #: 321 total cpu time spent up to now is 111.3 secs Computing kpt #: 322 total cpu time spent up to now is 111.8 secs Computing kpt #: 323 total cpu time spent up to now is 112.2 secs Computing kpt #: 324 total cpu time spent up to now is 112.5 secs Computing kpt #: 325 total cpu time spent up to now is 112.9 secs Computing kpt #: 326 total cpu time spent up to now is 113.2 secs Computing kpt #: 327 total cpu time spent up to now is 113.6 secs Computing kpt #: 328 total cpu time spent up to now is 113.9 secs Computing kpt #: 329 total cpu time spent up to now is 114.3 secs Computing kpt #: 330 total cpu time spent up to now is 114.6 secs Computing kpt #: 331 total cpu time spent up to now is 115.0 secs Computing kpt #: 332 total cpu time spent up to now is 115.3 secs Computing kpt #: 333 total cpu time spent up to now is 115.6 secs Computing kpt #: 334 total cpu time spent up to now is 116.0 secs Computing kpt #: 335 total cpu time spent up to now is 116.3 secs Computing kpt #: 336 total cpu time spent up to now is 116.6 secs Computing kpt #: 337 total cpu time spent up to now is 117.0 secs Computing kpt #: 338 total cpu time spent up to now is 117.3 secs Computing kpt #: 339 total cpu time spent up to now is 117.6 secs Computing kpt #: 340 total cpu time spent up to now is 118.0 secs Computing kpt #: 341 total cpu time spent up to now is 118.3 secs Computing kpt #: 342 total cpu time spent up to now is 118.6 secs Computing kpt #: 343 total cpu time spent up to now is 118.9 secs Computing kpt #: 344 total cpu time spent up to now is 119.3 secs Computing kpt #: 345 total cpu time spent up to now is 119.6 secs Computing kpt #: 346 total cpu time spent up to now is 119.9 secs Computing kpt #: 347 total cpu time spent up to now is 120.3 secs Computing kpt #: 348 total cpu time spent up to now is 120.6 secs Computing kpt #: 349 total cpu time spent up to now is 121.0 secs Computing kpt #: 350 total cpu time spent up to now is 121.3 secs Computing kpt #: 351 total cpu time spent up to now is 121.7 secs Computing kpt #: 352 total cpu time spent up to now is 122.0 secs Computing kpt #: 353 total cpu time spent up to now is 122.4 secs Computing kpt #: 354 total cpu time spent up to now is 122.7 secs Computing kpt #: 355 total cpu time spent up to now is 123.0 secs Computing kpt #: 356 total cpu time spent up to now is 123.4 secs Computing kpt #: 357 total cpu time spent up to now is 123.7 secs Computing kpt #: 358 total cpu time spent up to now is 124.1 secs Computing kpt #: 359 total cpu time spent up to now is 124.4 secs Computing kpt #: 360 total cpu time spent up to now is 124.8 secs Computing kpt #: 361 total cpu time spent up to now is 125.1 secs Computing kpt #: 362 total cpu time spent up to now is 125.5 secs Computing kpt #: 363 total cpu time spent up to now is 125.8 secs Computing kpt #: 364 total cpu time spent up to now is 126.1 secs Computing kpt #: 365 total cpu time spent up to now is 126.5 secs Computing kpt #: 366 total cpu time spent up to now is 126.8 secs Computing kpt #: 367 total cpu time spent up to now is 127.1 secs Computing kpt #: 368 total cpu time spent up to now is 127.5 secs Computing kpt #: 369 total cpu time spent up to now is 127.8 secs Computing kpt #: 370 total cpu time spent up to now is 128.1 secs Computing kpt #: 371 total cpu time spent up to now is 128.4 secs Computing kpt #: 372 total cpu time spent up to now is 128.8 secs Computing kpt #: 373 total cpu time spent up to now is 129.1 secs Computing kpt #: 374 total cpu time spent up to now is 129.4 secs Computing kpt #: 375 total cpu time spent up to now is 129.7 secs Computing kpt #: 376 total cpu time spent up to now is 130.1 secs Computing kpt #: 377 total cpu time spent up to now is 130.4 secs Computing kpt #: 378 total cpu time spent up to now is 130.7 secs Computing kpt #: 379 total cpu time spent up to now is 131.0 secs Computing kpt #: 380 total cpu time spent up to now is 131.3 secs Computing kpt #: 381 total cpu time spent up to now is 131.6 secs Computing kpt #: 382 total cpu time spent up to now is 132.0 secs ethr = 2.78E-08, avg # of iterations = 14.4 total cpu time spent up to now is 132.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -13.1241 -13.1241 -12.6709 -12.6709 -12.4719 -12.4719 -11.5742 -11.5742 -6.8763 -6.8763 -6.8302 -6.8302 -5.2603 -5.2603 -5.1902 -5.1902 -4.9424 -4.9424 -3.1724 -3.1724 -1.1541 -1.1541 -0.9895 -0.9895 -0.9712 -0.9712 -0.8414 -0.8414 -0.0663 -0.0663 0.4249 0.4249 0.6359 0.6359 0.6777 0.6777 0.8893 0.8893 1.0686 1.0686 1.0949 1.0949 5.3229 5.3229 k = 0.0128 0.0128-0.0000 ( 4765 PWs) bands (ev): -13.1238 -13.1238 -12.6711 -12.6711 -12.4721 -12.4721 -11.5743 -11.5743 -6.8763 -6.8763 -6.8302 -6.8302 -5.2602 -5.2602 -5.1903 -5.1903 -4.9423 -4.9423 -3.1715 -3.1715 -1.1541 -1.1541 -0.9897 -0.9897 -0.9711 -0.9711 -0.8407 -0.8407 -0.0668 -0.0668 0.4245 0.4245 0.6343 0.6343 0.6763 0.6763 0.8901 0.8901 1.0688 1.0688 1.0948 1.0948 5.3247 5.3247 k = 0.0256 0.0256-0.0000 ( 4765 PWs) bands (ev): -13.1228 -13.1228 -12.6716 -12.6716 -12.4725 -12.4725 -11.5745 -11.5745 -6.8764 -6.8764 -6.8301 -6.8301 -5.2601 -5.2601 -5.1908 -5.1908 -4.9422 -4.9422 -3.1686 -3.1686 -1.1541 -1.1541 -0.9902 -0.9902 -0.9711 -0.9711 -0.8386 -0.8386 -0.0682 -0.0682 0.4233 0.4233 0.6292 0.6292 0.6725 0.6725 0.8922 0.8922 1.0695 1.0695 1.0945 1.0945 5.3299 5.3299 k = 0.0385 0.0385-0.0000 ( 4769 PWs) bands (ev): -13.1211 -13.1211 -12.6726 -12.6726 -12.4731 -12.4731 -11.5749 -11.5749 -6.8766 -6.8766 -6.8300 -6.8300 -5.2599 -5.2599 -5.1916 -5.1916 -4.9419 -4.9419 -3.1639 -3.1639 -1.1541 -1.1541 -0.9910 -0.9910 -0.9710 -0.9710 -0.8351 -0.8351 -0.0706 -0.0706 0.4212 0.4212 0.6198 0.6198 0.6676 0.6676 0.8951 0.8951 1.0706 1.0706 1.0939 1.0939 5.3387 5.3387 k = 0.0513 0.0513-0.0000 ( 4765 PWs) bands (ev): -13.1188 -13.1188 -12.6739 -12.6739 -12.4740 -12.4740 -11.5755 -11.5755 -6.8769 -6.8769 -6.8298 -6.8298 -5.2596 -5.2596 -5.1927 -5.1927 -4.9416 -4.9416 -3.1573 -3.1573 -1.1544 -1.1544 -0.9919 -0.9919 -0.9707 -0.9707 -0.8303 -0.8303 -0.0738 -0.0738 0.4183 0.4183 0.6059 0.6059 0.6628 0.6628 0.8983 0.8983 1.0718 1.0718 1.0932 1.0932 5.3509 5.3509 k = 0.0641 0.0641-0.0000 ( 4777 PWs) bands (ev): -13.1159 -13.1159 -12.6756 -12.6756 -12.4752 -12.4752 -11.5762 -11.5762 -6.8773 -6.8773 -6.8296 -6.8296 -5.2592 -5.2592 -5.1942 -5.1942 -4.9411 -4.9411 -3.1489 -3.1489 -1.1550 -1.1550 -0.9925 -0.9925 -0.9704 -0.9704 -0.8243 -0.8243 -0.0779 -0.0779 0.4146 0.4146 0.5880 0.5880 0.6583 0.6583 0.9011 0.9011 1.0730 1.0730 1.0922 1.0922 5.3665 5.3665 k = 0.0769 0.0769-0.0000 ( 4769 PWs) bands (ev): -13.1123 -13.1123 -12.6777 -12.6777 -12.4767 -12.4767 -11.5771 -11.5771 -6.8778 -6.8778 -6.8294 -6.8294 -5.2588 -5.2588 -5.1959 -5.1959 -4.9406 -4.9406 -3.1388 -3.1388 -1.1561 -1.1561 -0.9927 -0.9927 -0.9698 -0.9698 -0.8170 -0.8170 -0.0827 -0.0827 0.4100 0.4100 0.5668 0.5668 0.6540 0.6540 0.9031 0.9031 1.0740 1.0740 1.0911 1.0911 5.3855 5.3855 k = 0.0897 0.0897-0.0000 ( 4769 PWs) bands (ev): -13.1081 -13.1081 -12.6801 -12.6801 -12.4785 -12.4785 -11.5780 -11.5780 -6.8783 -6.8783 -6.8291 -6.8291 -5.2583 -5.2583 -5.1979 -5.1979 -4.9399 -4.9399 -3.1270 -3.1270 -1.1580 -1.1580 -0.9921 -0.9921 -0.9690 -0.9690 -0.8086 -0.8086 -0.0883 -0.0883 0.4046 0.4046 0.5431 0.5431 0.6496 0.6496 0.9041 0.9041 1.0746 1.0746 1.0898 1.0898 5.4076 5.4076 k = 0.1026 0.1026-0.0000 ( 4769 PWs) bands (ev): -13.1033 -13.1033 -12.6828 -12.6828 -12.4805 -12.4805 -11.5792 -11.5792 -6.8790 -6.8790 -6.8288 -6.8288 -5.2577 -5.2577 -5.2002 -5.2002 -4.9392 -4.9392 -3.1137 -3.1137 -1.1606 -1.1606 -0.9904 -0.9904 -0.9680 -0.9680 -0.7992 -0.7992 -0.0945 -0.0945 0.3984 0.3984 0.5176 0.5176 0.6450 0.6450 0.9039 0.9039 1.0746 1.0746 1.0881 1.0881 5.4329 5.4329 k = 0.1154 0.1154-0.0000 ( 4781 PWs) bands (ev): -13.0979 -13.0979 -12.6858 -12.6858 -12.4828 -12.4828 -11.5804 -11.5804 -6.8797 -6.8797 -6.8284 -6.8284 -5.2571 -5.2571 -5.2028 -5.2028 -4.9385 -4.9385 -3.0989 -3.0989 -1.1640 -1.1640 -0.9875 -0.9875 -0.9666 -0.9666 -0.7886 -0.7886 -0.1013 -0.1013 0.3913 0.3913 0.4908 0.4908 0.6399 0.6399 0.9023 0.9023 1.0740 1.0740 1.0861 1.0861 5.4611 5.4611 k = 0.1282 0.1282-0.0000 ( 4789 PWs) bands (ev): -13.0919 -13.0919 -12.6890 -12.6890 -12.4854 -12.4854 -11.5818 -11.5818 -6.8805 -6.8805 -6.8280 -6.8280 -5.2565 -5.2565 -5.2056 -5.2056 -4.9376 -4.9376 -3.0828 -3.0828 -1.1682 -1.1682 -0.9831 -0.9831 -0.9650 -0.9650 -0.7772 -0.7772 -0.1086 -0.1086 0.3833 0.3833 0.4630 0.4630 0.6344 0.6344 0.8992 0.8992 1.0728 1.0728 1.0833 1.0833 5.4922 5.4922 k = 0.1410 0.1410-0.0000 ( 4789 PWs) bands (ev): -13.0854 -13.0854 -12.6925 -12.6925 -12.4883 -12.4883 -11.5833 -11.5833 -6.8814 -6.8814 -6.8275 -6.8275 -5.2558 -5.2558 -5.2087 -5.2087 -4.9367 -4.9367 -3.0656 -3.0656 -1.1729 -1.1729 -0.9774 -0.9774 -0.9631 -0.9631 -0.7647 -0.7647 -0.1162 -0.1162 0.3743 0.3743 0.4347 0.4347 0.6284 0.6284 0.8946 0.8946 1.0711 1.0711 1.0799 1.0799 5.5260 5.5260 k = 0.1538 0.1538-0.0000 ( 4789 PWs) bands (ev): -13.0784 -13.0784 -12.6962 -12.6962 -12.4915 -12.4915 -11.5849 -11.5849 -6.8824 -6.8824 -6.8270 -6.8270 -5.2552 -5.2552 -5.2119 -5.2119 -4.9357 -4.9357 -3.0473 -3.0473 -1.1780 -1.1780 -0.9703 -0.9703 -0.9608 -0.9608 -0.7514 -0.7514 -0.1241 -0.1241 0.3642 0.3642 0.4063 0.4063 0.6218 0.6218 0.8883 0.8883 1.0687 1.0687 1.0759 1.0759 5.5622 5.5622 k = 0.1667 0.1667-0.0000 ( 4781 PWs) bands (ev): -13.0708 -13.0708 -12.7001 -12.7001 -12.4949 -12.4949 -11.5866 -11.5866 -6.8834 -6.8834 -6.8265 -6.8265 -5.2547 -5.2547 -5.2153 -5.2153 -4.9347 -4.9347 -3.0281 -3.0281 -1.1830 -1.1830 -0.9621 -0.9621 -0.9580 -0.9580 -0.7373 -0.7373 -0.1321 -0.1321 0.3522 0.3522 0.3788 0.3788 0.6146 0.6146 0.8803 0.8803 1.0652 1.0652 1.0717 1.0717 5.6006 5.6006 k = 0.1795 0.1795-0.0000 ( 4781 PWs) bands (ev): -13.0628 -13.0628 -12.7041 -12.7041 -12.4987 -12.4987 -11.5883 -11.5883 -6.8846 -6.8846 -6.8260 -6.8260 -5.2542 -5.2542 -5.2187 -5.2187 -4.9336 -4.9336 -3.0083 -3.0083 -1.1876 -1.1876 -0.9561 -0.9561 -0.9516 -0.9516 -0.7223 -0.7223 -0.1402 -0.1402 0.3356 0.3356 0.3550 0.3550 0.6068 0.6068 0.8702 0.8702 1.0601 1.0601 1.0681 1.0681 5.6410 5.6410 k = 0.1923 0.1923-0.0000 ( 4765 PWs) bands (ev): -13.0543 -13.0543 -12.7083 -12.7083 -12.5028 -12.5028 -11.5901 -11.5901 -6.8858 -6.8858 -6.8254 -6.8254 -5.2540 -5.2540 -5.2221 -5.2221 -4.9325 -4.9325 -2.9880 -2.9880 -1.1915 -1.1915 -0.9528 -0.9528 -0.9413 -0.9413 -0.7066 -0.7066 -0.1481 -0.1481 0.3114 0.3114 0.3380 0.3380 0.5983 0.5983 0.8580 0.8580 1.0535 1.0535 1.0652 1.0652 5.6831 5.6831 k = 0.2051 0.2051-0.0000 ( 4765 PWs) bands (ev): -13.0454 -13.0454 -12.7125 -12.7125 -12.5072 -12.5072 -11.5920 -11.5920 -6.8871 -6.8871 -6.8248 -6.8248 -5.2541 -5.2541 -5.2253 -5.2253 -4.9313 -4.9313 -2.9674 -2.9674 -1.1943 -1.1943 -0.9494 -0.9494 -0.9301 -0.9301 -0.6901 -0.6901 -0.1558 -0.1558 0.2839 0.2839 0.3238 0.3238 0.5892 0.5892 0.8434 0.8434 1.0461 1.0461 1.0625 1.0625 5.7266 5.7266 k = 0.2179 0.2179-0.0000 ( 4765 PWs) bands (ev): -13.0361 -13.0361 -12.7168 -12.7168 -12.5119 -12.5119 -11.5939 -11.5939 -6.8884 -6.8884 -6.8242 -6.8242 -5.2546 -5.2546 -5.2283 -5.2283 -4.9301 -4.9301 -2.9467 -2.9467 -1.1956 -1.1956 -0.9459 -0.9459 -0.9181 -0.9181 -0.6730 -0.6730 -0.1630 -0.1630 0.2558 0.2558 0.3098 0.3098 0.5795 0.5795 0.8262 0.8262 1.0383 1.0383 1.0600 1.0600 5.7713 5.7713 k = 0.2308 0.2308-0.0000 ( 4757 PWs) bands (ev): -13.0265 -13.0265 -12.7211 -12.7211 -12.5169 -12.5169 -11.5959 -11.5959 -6.8898 -6.8898 -6.8235 -6.8235 -5.2558 -5.2558 -5.2307 -5.2307 -4.9289 -4.9289 -2.9263 -2.9263 -1.1952 -1.1952 -0.9422 -0.9422 -0.9057 -0.9057 -0.6552 -0.6552 -0.1698 -0.1698 0.2278 0.2278 0.2954 0.2954 0.5692 0.5692 0.8063 0.8063 1.0304 1.0304 1.0576 1.0576 5.8167 5.8167 k = 0.2436 0.2436-0.0000 ( 4767 PWs) bands (ev): -13.0165 -13.0165 -12.7253 -12.7253 -12.5223 -12.5223 -11.5978 -11.5978 -6.8913 -6.8913 -6.8229 -6.8229 -5.2577 -5.2577 -5.2325 -5.2325 -4.9277 -4.9277 -2.9061 -2.9061 -1.1927 -1.1927 -0.9384 -0.9384 -0.8930 -0.8930 -0.6368 -0.6368 -0.1760 -0.1760 0.2002 0.2002 0.2804 0.2804 0.5581 0.5581 0.7836 0.7836 1.0227 1.0227 1.0552 1.0552 5.8626 5.8626 k = 0.2564 0.2564-0.0000 ( 4755 PWs) bands (ev): -13.0064 -13.0064 -12.7295 -12.7295 -12.5279 -12.5279 -11.5998 -11.5998 -6.8928 -6.8928 -6.8222 -6.8222 -5.2603 -5.2603 -5.2336 -5.2336 -4.9265 -4.9265 -2.8866 -2.8866 -1.1880 -1.1880 -0.9345 -0.9345 -0.8801 -0.8801 -0.6178 -0.6178 -0.1813 -0.1813 0.1732 0.1732 0.2649 0.2649 0.5466 0.5466 0.7580 0.7580 1.0153 1.0153 1.0529 1.0529 5.9087 5.9087 k = 0.2692 0.2692-0.0000 ( 4763 PWs) bands (ev): -12.9960 -12.9960 -12.7335 -12.7335 -12.5339 -12.5339 -11.6017 -11.6017 -6.8943 -6.8943 -6.8216 -6.8216 -5.2636 -5.2636 -5.2341 -5.2341 -4.9253 -4.9253 -2.8678 -2.8678 -1.1808 -1.1808 -0.9304 -0.9304 -0.8672 -0.8672 -0.5982 -0.5982 -0.1858 -0.1858 0.1469 0.1469 0.2486 0.2486 0.5344 0.5344 0.7295 0.7295 1.0083 1.0083 1.0506 1.0506 5.9545 5.9545 k = 0.2821 0.2821-0.0000 ( 4766 PWs) bands (ev): -12.9855 -12.9855 -12.7373 -12.7373 -12.5402 -12.5402 -11.6037 -11.6037 -6.8958 -6.8958 -6.8210 -6.8210 -5.2674 -5.2674 -5.2342 -5.2342 -4.9242 -4.9242 -2.8499 -2.8499 -1.1711 -1.1711 -0.9264 -0.9264 -0.8545 -0.8545 -0.5782 -0.5782 -0.1892 -0.1892 0.1215 0.1215 0.2318 0.2318 0.5217 0.5217 0.6984 0.6984 1.0019 1.0019 1.0485 1.0485 5.9997 5.9997 k = 0.2949 0.2949-0.0000 ( 4770 PWs) bands (ev): -12.9749 -12.9749 -12.7409 -12.7409 -12.5468 -12.5468 -11.6056 -11.6056 -6.8974 -6.8974 -6.8203 -6.8203 -5.2714 -5.2714 -5.2339 -5.2339 -4.9230 -4.9230 -2.8330 -2.8330 -1.1587 -1.1587 -0.9222 -0.9222 -0.8420 -0.8420 -0.5576 -0.5576 -0.1916 -0.1916 0.0970 0.0970 0.2144 0.2144 0.5085 0.5085 0.6648 0.6648 0.9959 0.9959 1.0465 1.0465 6.0441 6.0441 k = 0.3077 0.3077-0.0000 ( 4766 PWs) bands (ev): -12.9643 -12.9643 -12.7442 -12.7442 -12.5536 -12.5536 -11.6074 -11.6074 -6.8989 -6.8989 -6.8197 -6.8197 -5.2756 -5.2756 -5.2335 -5.2335 -4.9219 -4.9219 -2.8174 -2.8174 -1.1437 -1.1437 -0.9181 -0.9181 -0.8299 -0.8299 -0.5366 -0.5366 -0.1928 -0.1928 0.0735 0.0735 0.1964 0.1964 0.4949 0.4949 0.6290 0.6290 0.9905 0.9905 1.0446 1.0446 6.0872 6.0872 k = 0.3205 0.3205-0.0000 ( 4756 PWs) bands (ev): -12.9538 -12.9538 -12.7472 -12.7472 -12.5607 -12.5607 -11.6092 -11.6092 -6.9004 -6.9004 -6.8191 -6.8191 -5.2799 -5.2799 -5.2329 -5.2329 -4.9208 -4.9208 -2.8029 -2.8029 -1.1262 -1.1262 -0.9139 -0.9139 -0.8183 -0.8183 -0.5153 -0.5153 -0.1928 -0.1928 0.0512 0.0512 0.1778 0.1778 0.4809 0.4809 0.5912 0.5912 0.9856 0.9856 1.0428 1.0428 6.1288 6.1288 k = 0.3333 0.3333-0.0000 ( 4744 PWs) bands (ev): -12.9434 -12.9434 -12.7497 -12.7497 -12.5681 -12.5681 -11.6110 -11.6110 -6.9019 -6.9019 -6.8185 -6.8185 -5.2841 -5.2841 -5.2323 -5.2323 -4.9197 -4.9197 -2.7898 -2.7898 -1.1065 -1.1065 -0.9096 -0.9096 -0.8071 -0.8071 -0.4936 -0.4936 -0.1916 -0.1916 0.0300 0.0300 0.1588 0.1588 0.4665 0.4665 0.5519 0.5519 0.9812 0.9812 1.0411 1.0411 6.1685 6.1685 k = 0.3462 0.3462-0.0000 ( 4764 PWs) bands (ev): -12.9334 -12.9334 -12.7518 -12.7518 -12.5757 -12.5757 -11.6126 -11.6126 -6.9033 -6.9033 -6.8180 -6.8180 -5.2883 -5.2883 -5.2316 -5.2316 -4.9187 -4.9187 -2.7780 -2.7780 -1.0848 -1.0848 -0.9053 -0.9053 -0.7964 -0.7964 -0.4716 -0.4716 -0.1892 -0.1892 0.0102 0.0102 0.1394 0.1394 0.4517 0.4517 0.5114 0.5114 0.9771 0.9771 1.0396 1.0396 6.2061 6.2061 k = 0.3590 0.3590-0.0000 ( 4758 PWs) bands (ev): -12.9236 -12.9236 -12.7533 -12.7533 -12.5835 -12.5835 -11.6142 -11.6142 -6.9047 -6.9047 -6.8175 -6.8175 -5.2923 -5.2923 -5.2310 -5.2310 -4.9177 -4.9177 -2.7675 -2.7675 -1.0617 -1.0617 -0.9009 -0.9009 -0.7862 -0.7862 -0.4495 -0.4495 -0.1858 -0.1858 -0.0083 -0.0083 0.1196 0.1196 0.4362 0.4362 0.4707 0.4707 0.9736 0.9736 1.0381 1.0381 6.2412 6.2412 k = 0.3718 0.3718-0.0000 ( 4760 PWs) bands (ev): -12.9144 -12.9144 -12.7542 -12.7542 -12.5915 -12.5915 -11.6156 -11.6156 -6.9060 -6.9060 -6.8170 -6.8170 -5.2961 -5.2961 -5.2303 -5.2303 -4.9168 -4.9168 -2.7583 -2.7583 -1.0378 -1.0378 -0.8962 -0.8962 -0.7763 -0.7763 -0.4272 -0.4272 -0.1814 -0.1814 -0.0253 -0.0253 0.0996 0.0996 0.4159 0.4159 0.4344 0.4344 0.9703 0.9703 1.0368 1.0368 6.2738 6.2738 k = 0.3846 0.3846-0.0000 ( 4760 PWs) bands (ev): -12.9057 -12.9057 -12.7544 -12.7544 -12.5996 -12.5996 -11.6170 -11.6170 -6.9073 -6.9073 -6.8165 -6.8165 -5.2996 -5.2996 -5.2297 -5.2297 -4.9160 -4.9160 -2.7503 -2.7503 -1.0138 -1.0138 -0.8910 -0.8910 -0.7666 -0.7666 -0.4049 -0.4049 -0.1762 -0.1762 -0.0408 -0.0408 0.0794 0.0794 0.3804 0.3804 0.4135 0.4135 0.9675 0.9675 1.0357 1.0357 6.3036 6.3036 k = 0.3974 0.3974-0.0000 ( 4758 PWs) bands (ev): -12.8978 -12.8978 -12.7538 -12.7538 -12.6077 -12.6077 -11.6182 -11.6182 -6.9084 -6.9084 -6.8161 -6.8161 -5.3029 -5.3029 -5.2291 -5.2291 -4.9153 -4.9153 -2.7434 -2.7434 -0.9909 -0.9909 -0.8852 -0.8852 -0.7568 -0.7568 -0.3827 -0.3827 -0.1706 -0.1706 -0.0547 -0.0547 0.0592 0.0592 0.3399 0.3399 0.3987 0.3987 0.9651 0.9651 1.0346 1.0346 6.3305 6.3305 k = 0.4103 0.4103-0.0000 ( 4774 PWs) bands (ev): -12.8908 -12.8908 -12.7525 -12.7525 -12.6158 -12.6158 -11.6193 -11.6193 -6.9095 -6.9095 -6.8157 -6.8157 -5.3059 -5.3059 -5.2286 -5.2286 -4.9146 -4.9146 -2.7376 -2.7376 -0.9703 -0.9703 -0.8784 -0.8784 -0.7468 -0.7468 -0.3607 -0.3607 -0.1647 -0.1647 -0.0669 -0.0669 0.0391 0.0391 0.2999 0.2999 0.3854 0.3854 0.9629 0.9629 1.0337 1.0337 6.3543 6.3543 k = 0.4231 0.4231-0.0000 ( 4782 PWs) bands (ev): -12.8847 -12.8847 -12.7504 -12.7504 -12.6237 -12.6237 -11.6203 -11.6203 -6.9104 -6.9104 -6.8154 -6.8154 -5.3085 -5.3085 -5.2281 -5.2281 -4.9140 -4.9140 -2.7327 -2.7327 -0.9530 -0.9530 -0.8705 -0.8705 -0.7364 -0.7364 -0.3393 -0.3393 -0.1591 -0.1591 -0.0772 -0.0772 0.0193 0.0193 0.2616 0.2616 0.3732 0.3732 0.9610 0.9610 1.0329 1.0329 6.3750 6.3750 k = 0.4359 0.4359-0.0000 ( 4778 PWs) bands (ev): -12.8795 -12.8795 -12.7477 -12.7477 -12.6312 -12.6312 -11.6211 -11.6211 -6.9112 -6.9112 -6.8151 -6.8151 -5.3108 -5.3108 -5.2277 -5.2277 -4.9135 -4.9135 -2.7288 -2.7288 -0.9397 -0.9397 -0.8618 -0.8618 -0.7255 -0.7255 -0.3186 -0.3186 -0.1539 -0.1539 -0.0855 -0.0855 0.0003 0.0003 0.2263 0.2263 0.3624 0.3624 0.9595 0.9595 1.0323 1.0323 6.3926 6.3926 k = 0.4487 0.4487-0.0000 ( 4778 PWs) bands (ev): -12.8754 -12.8754 -12.7446 -12.7446 -12.6382 -12.6382 -11.6218 -11.6218 -6.9119 -6.9119 -6.8149 -6.8149 -5.3127 -5.3127 -5.2273 -5.2273 -4.9130 -4.9130 -2.7257 -2.7257 -0.9302 -0.9302 -0.8530 -0.8530 -0.7145 -0.7145 -0.2993 -0.2993 -0.1498 -0.1498 -0.0918 -0.0918 -0.0176 -0.0176 0.1950 0.1950 0.3531 0.3531 0.9583 0.9583 1.0317 1.0317 6.4070 6.4070 k = 0.4615 0.4615-0.0000 ( 4768 PWs) bands (ev): -12.8723 -12.8723 -12.7415 -12.7415 -12.6443 -12.6443 -11.6223 -11.6223 -6.9124 -6.9124 -6.8147 -6.8147 -5.3142 -5.3142 -5.2271 -5.2271 -4.9127 -4.9127 -2.7234 -2.7234 -0.9239 -0.9239 -0.8453 -0.8453 -0.7042 -0.7042 -0.2821 -0.2821 -0.1469 -0.1469 -0.0959 -0.0959 -0.0336 -0.0336 0.1688 0.1688 0.3454 0.3454 0.9573 0.9573 1.0313 1.0313 6.4182 6.4182 k = 0.4744 0.4744-0.0000 ( 4780 PWs) bands (ev): -12.8701 -12.8701 -12.7387 -12.7387 -12.6492 -12.6492 -11.6227 -11.6227 -6.9128 -6.9128 -6.8146 -6.8146 -5.3153 -5.3153 -5.2269 -5.2269 -4.9125 -4.9125 -2.7218 -2.7218 -0.9199 -0.9199 -0.8395 -0.8395 -0.6955 -0.6955 -0.2680 -0.2680 -0.1454 -0.1454 -0.0982 -0.0982 -0.0466 -0.0466 0.1491 0.1491 0.3398 0.3398 0.9566 0.9566 1.0310 1.0310 6.4261 6.4261 k = 0.4872 0.4872-0.0000 ( 4784 PWs) bands (ev): -12.8688 -12.8688 -12.7367 -12.7367 -12.6524 -12.6524 -11.6229 -11.6229 -6.9130 -6.9130 -6.8145 -6.8145 -5.3159 -5.3159 -5.2268 -5.2268 -4.9123 -4.9123 -2.7208 -2.7208 -0.9177 -0.9177 -0.8359 -0.8359 -0.6898 -0.6898 -0.2586 -0.2586 -0.1448 -0.1448 -0.0992 -0.0992 -0.0555 -0.0555 0.1367 0.1367 0.3363 0.3363 0.9562 0.9562 1.0308 1.0308 6.4309 6.4309 k = 0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k = 0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k = 0.4821 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8688 -12.8688 -12.7363 -12.7363 -12.6529 -12.6529 -11.6229 -11.6229 -6.9130 -6.9130 -6.8145 -6.8145 -5.3159 -5.3159 -5.2268 -5.2268 -4.9123 -4.9123 -2.7210 -2.7210 -0.9170 -0.9170 -0.8355 -0.8355 -0.6890 -0.6890 -0.2587 -0.2587 -0.1462 -0.1462 -0.1056 -0.1056 -0.0494 -0.0494 0.1371 0.1371 0.3360 0.3360 0.9562 0.9562 1.0308 1.0308 6.4315 6.4315 k = 0.4643 0.5000-0.0000 ( 4780 PWs) bands (ev): -12.8701 -12.8701 -12.7371 -12.7371 -12.6509 -12.6509 -11.6226 -11.6226 -6.9127 -6.9127 -6.8146 -6.8146 -5.3152 -5.3152 -5.2268 -5.2268 -4.9124 -4.9124 -2.7224 -2.7224 -0.9172 -0.9172 -0.8377 -0.8377 -0.6928 -0.6928 -0.2683 -0.2683 -0.1511 -0.1511 -0.1159 -0.1159 -0.0305 -0.0305 0.1504 0.1504 0.3383 0.3383 0.9565 0.9565 1.0309 1.0309 6.4286 6.4286 k = 0.4464 0.5000-0.0000 ( 4768 PWs) bands (ev): -12.8722 -12.8722 -12.7384 -12.7384 -12.6478 -12.6478 -11.6221 -11.6221 -6.9123 -6.9123 -6.8147 -6.8147 -5.3141 -5.3141 -5.2270 -5.2270 -4.9126 -4.9126 -2.7247 -2.7247 -0.9179 -0.9179 -0.8412 -0.8412 -0.6990 -0.6990 -0.2820 -0.2820 -0.1595 -0.1595 -0.1239 -0.1239 -0.0088 -0.0088 0.1714 0.1714 0.3421 0.3421 0.9571 0.9571 1.0312 1.0312 6.4239 6.4239 k = 0.4286 0.5000-0.0000 ( 4774 PWs) bands (ev): -12.8751 -12.8751 -12.7399 -12.7399 -12.6437 -12.6437 -11.6215 -11.6215 -6.9118 -6.9118 -6.8148 -6.8148 -5.3126 -5.3126 -5.2272 -5.2272 -4.9128 -4.9128 -2.7278 -2.7278 -0.9199 -0.9199 -0.8456 -0.8456 -0.7071 -0.7071 -0.2977 -0.2977 -0.1706 -0.1706 -0.1294 -0.1294 0.0136 0.0136 0.1987 0.1987 0.3473 0.3473 0.9579 0.9579 1.0315 1.0315 6.4172 6.4172 k = 0.4107 0.5000-0.0000 ( 4774 PWs) bands (ev): -12.8787 -12.8787 -12.7416 -12.7416 -12.6389 -12.6389 -11.6206 -11.6206 -6.9111 -6.9111 -6.8150 -6.8150 -5.3106 -5.3106 -5.2275 -5.2275 -4.9132 -4.9132 -2.7318 -2.7318 -0.9242 -0.9242 -0.8500 -0.8500 -0.7166 -0.7166 -0.3136 -0.3136 -0.1828 -0.1828 -0.1338 -0.1338 0.0361 0.0361 0.2306 0.2306 0.3537 0.3537 0.9590 0.9590 1.0321 1.0321 6.4089 6.4089 k = 0.3929 0.5000-0.0000 ( 4774 PWs) bands (ev): -12.8829 -12.8829 -12.7432 -12.7432 -12.6336 -12.6336 -11.6196 -11.6196 -6.9103 -6.9103 -6.8153 -6.8153 -5.3083 -5.3083 -5.2278 -5.2278 -4.9135 -4.9135 -2.7365 -2.7365 -0.9324 -0.9324 -0.8534 -0.8534 -0.7270 -0.7270 -0.3284 -0.3284 -0.1954 -0.1954 -0.1377 -0.1377 0.0586 0.0586 0.2656 0.2656 0.3614 0.3614 0.9603 0.9603 1.0328 1.0328 6.3991 6.3991 k = 0.3750 0.5000-0.0000 ( 4772 PWs) bands (ev): -12.8877 -12.8877 -12.7447 -12.7447 -12.6280 -12.6280 -11.6184 -11.6184 -6.9093 -6.9093 -6.8156 -6.8156 -5.3056 -5.3056 -5.2281 -5.2281 -4.9140 -4.9140 -2.7419 -2.7419 -0.9454 -0.9454 -0.8548 -0.8548 -0.7376 -0.7376 -0.3418 -0.3418 -0.2077 -0.2077 -0.1415 -0.1415 0.0813 0.0813 0.3020 0.3020 0.3703 0.3703 0.9619 0.9619 1.0338 1.0338 6.3879 6.3879 k = 0.3571 0.5000-0.0000 ( 4756 PWs) bands (ev): -12.8930 -12.8930 -12.7460 -12.7460 -12.6221 -12.6221 -11.6170 -11.6170 -6.9083 -6.9083 -6.8159 -6.8159 -5.3025 -5.3025 -5.2285 -5.2285 -4.9145 -4.9145 -2.7479 -2.7479 -0.9635 -0.9635 -0.8543 -0.8543 -0.7477 -0.7477 -0.3535 -0.3535 -0.2195 -0.2195 -0.1453 -0.1453 0.1042 0.1042 0.3378 0.3378 0.3813 0.3813 0.9640 0.9640 1.0352 1.0352 6.3756 6.3756 k = 0.3393 0.5000-0.0000 ( 4770 PWs) bands (ev): -12.8986 -12.8986 -12.7472 -12.7472 -12.6161 -12.6161 -11.6155 -11.6155 -6.9071 -6.9071 -6.8162 -6.8162 -5.2992 -5.2992 -5.2289 -5.2289 -4.9150 -4.9150 -2.7543 -2.7543 -0.9860 -0.9860 -0.8521 -0.8521 -0.7571 -0.7571 -0.3638 -0.3638 -0.2306 -0.2306 -0.1489 -0.1489 0.1272 0.1272 0.3683 0.3683 0.3979 0.3979 0.9664 0.9664 1.0370 1.0370 6.3622 6.3622 k = 0.3214 0.5000-0.0000 ( 4774 PWs) bands (ev): -12.9045 -12.9045 -12.7481 -12.7481 -12.6102 -12.6102 -11.6140 -11.6140 -6.9059 -6.9059 -6.8166 -6.8166 -5.2957 -5.2957 -5.2292 -5.2292 -4.9156 -4.9156 -2.7612 -2.7612 -1.0120 -1.0120 -0.8490 -0.8490 -0.7652 -0.7652 -0.3728 -0.3728 -0.2409 -0.2409 -0.1524 -0.1524 0.1506 0.1506 0.3869 0.3869 0.4256 0.4256 0.9692 0.9692 1.0392 1.0392 6.3481 6.3481 k = 0.3036 0.5000-0.0000 ( 4774 PWs) bands (ev): -12.9106 -12.9106 -12.7488 -12.7488 -12.6043 -12.6043 -11.6123 -11.6123 -6.9046 -6.9046 -6.8170 -6.8170 -5.2920 -5.2920 -5.2296 -5.2296 -4.9162 -4.9162 -2.7683 -2.7683 -1.0404 -1.0404 -0.8458 -0.8458 -0.7717 -0.7717 -0.3810 -0.3810 -0.2500 -0.2500 -0.1557 -0.1557 0.1742 0.1742 0.3991 0.3991 0.4582 0.4582 0.9726 0.9726 1.0421 1.0421 6.3334 6.3334 k = 0.2857 0.5000-0.0000 ( 4752 PWs) bands (ev): -12.9167 -12.9167 -12.7493 -12.7493 -12.5986 -12.5986 -11.6105 -11.6105 -6.9032 -6.9032 -6.8174 -6.8174 -5.2882 -5.2882 -5.2298 -5.2298 -4.9168 -4.9168 -2.7756 -2.7756 -1.0705 -1.0705 -0.8433 -0.8433 -0.7763 -0.7763 -0.3888 -0.3888 -0.2579 -0.2579 -0.1587 -0.1587 0.1981 0.1981 0.4095 0.4095 0.4903 0.4903 0.9767 0.9767 1.0457 1.0457 6.3185 6.3185 k = 0.2679 0.5000-0.0000 ( 4752 PWs) bands (ev): -12.9229 -12.9229 -12.7497 -12.7497 -12.5931 -12.5931 -11.6087 -11.6087 -6.9019 -6.9019 -6.8178 -6.8178 -5.2844 -5.2844 -5.2300 -5.2300 -4.9174 -4.9174 -2.7830 -2.7830 -1.1013 -1.1013 -0.8421 -0.8421 -0.7783 -0.7783 -0.3965 -0.3965 -0.2644 -0.2644 -0.1615 -0.1615 0.2222 0.2222 0.4191 0.4191 0.5201 0.5201 0.9814 0.9814 1.0501 1.0501 6.3033 6.3033 k = 0.2500 0.5000-0.0000 ( 4746 PWs) bands (ev): -12.9289 -12.9289 -12.7500 -12.7500 -12.5878 -12.5878 -11.6068 -11.6068 -6.9005 -6.9005 -6.8182 -6.8182 -5.2806 -5.2806 -5.2301 -5.2301 -4.9180 -4.9180 -2.7904 -2.7904 -1.1324 -1.1324 -0.8428 -0.8428 -0.7777 -0.7777 -0.4044 -0.4044 -0.2697 -0.2697 -0.1640 -0.1640 0.2464 0.2464 0.4282 0.4282 0.5468 0.5468 0.9867 0.9867 1.0554 1.0554 6.2883 6.2883 k = 0.2321 0.5000-0.0000 ( 4762 PWs) bands (ev): -12.9348 -12.9348 -12.7501 -12.7501 -12.5829 -12.5829 -11.6049 -11.6049 -6.8991 -6.8991 -6.8186 -6.8186 -5.2769 -5.2769 -5.2301 -5.2301 -4.9187 -4.9187 -2.7978 -2.7978 -1.1631 -1.1631 -0.8452 -0.8452 -0.7745 -0.7745 -0.4124 -0.4124 -0.2736 -0.2736 -0.1663 -0.1663 0.2707 0.2707 0.4367 0.4367 0.5698 0.5698 0.9926 0.9926 1.0618 1.0618 6.2734 6.2734 k = 0.2143 0.5000-0.0000 ( 4768 PWs) bands (ev): -12.9405 -12.9405 -12.7501 -12.7501 -12.5782 -12.5782 -11.6031 -11.6031 -6.8977 -6.8977 -6.8190 -6.8190 -5.2734 -5.2734 -5.2298 -5.2298 -4.9193 -4.9193 -2.8049 -2.8049 -1.1930 -1.1930 -0.8490 -0.8490 -0.7694 -0.7694 -0.4208 -0.4208 -0.2764 -0.2764 -0.1682 -0.1682 0.2950 0.2950 0.4447 0.4447 0.5889 0.5889 0.9988 0.9988 1.0693 1.0693 6.2591 6.2591 k = 0.1964 0.5000-0.0000 ( 4764 PWs) bands (ev): -12.9459 -12.9459 -12.7500 -12.7500 -12.5739 -12.5739 -11.6012 -11.6012 -6.8964 -6.8964 -6.8194 -6.8194 -5.2702 -5.2702 -5.2294 -5.2294 -4.9199 -4.9199 -2.8117 -2.8117 -1.2217 -1.2217 -0.8535 -0.8535 -0.7630 -0.7630 -0.4293 -0.4293 -0.2782 -0.2782 -0.1699 -0.1699 0.3192 0.3192 0.4521 0.4521 0.6039 0.6039 1.0052 1.0052 1.0781 1.0781 6.2453 6.2453 k = 0.1786 0.5000-0.0000 ( 4764 PWs) bands (ev): -12.9510 -12.9510 -12.7499 -12.7499 -12.5699 -12.5699 -11.5995 -11.5995 -6.8952 -6.8952 -6.8198 -6.8198 -5.2673 -5.2673 -5.2287 -5.2287 -4.9205 -4.9205 -2.8183 -2.8183 -1.2488 -1.2488 -0.8584 -0.8584 -0.7559 -0.7559 -0.4380 -0.4380 -0.2792 -0.2792 -0.1713 -0.1713 0.3432 0.3432 0.4590 0.4590 0.6149 0.6149 1.0115 1.0116 1.0880 1.0880 6.2323 6.2323 k = 0.1607 0.5000-0.0000 ( 4766 PWs) bands (ev): -12.9558 -12.9558 -12.7497 -12.7497 -12.5663 -12.5663 -11.5978 -11.5978 -6.8940 -6.8940 -6.8202 -6.8202 -5.2648 -5.2648 -5.2278 -5.2278 -4.9211 -4.9211 -2.8244 -2.8244 -1.2741 -1.2741 -0.8634 -0.8634 -0.7484 -0.7484 -0.4467 -0.4467 -0.2795 -0.2795 -0.1724 -0.1724 0.3669 0.3669 0.4653 0.4653 0.6220 0.6220 1.0175 1.0175 1.0988 1.0988 6.2202 6.2202 k = 0.1429 0.5000-0.0000 ( 4764 PWs) bands (ev): -12.9601 -12.9601 -12.7495 -12.7495 -12.5630 -12.5630 -11.5962 -11.5962 -6.8929 -6.8929 -6.8205 -6.8205 -5.2628 -5.2628 -5.2267 -5.2267 -4.9216 -4.9216 -2.8300 -2.8300 -1.2974 -1.2974 -0.8682 -0.8682 -0.7408 -0.7408 -0.4552 -0.4552 -0.2794 -0.2794 -0.1734 -0.1734 0.3902 0.3902 0.4710 0.4710 0.6254 0.6254 1.0230 1.0230 1.1102 1.1102 6.2092 6.2092 k = 0.1250 0.5000-0.0000 ( 4756 PWs) bands (ev): -12.9640 -12.9640 -12.7493 -12.7493 -12.5602 -12.5602 -11.5947 -11.5947 -6.8918 -6.8918 -6.8209 -6.8209 -5.2611 -5.2611 -5.2254 -5.2254 -4.9220 -4.9220 -2.8351 -2.8351 -1.3184 -1.3184 -0.8726 -0.8726 -0.7333 -0.7333 -0.4635 -0.4635 -0.2790 -0.2790 -0.1741 -0.1741 0.4128 0.4128 0.4764 0.4764 0.6255 0.6255 1.0279 1.0279 1.1217 1.1217 6.1992 6.1992 k = 0.1071 0.5000-0.0000 ( 4752 PWs) bands (ev): -12.9674 -12.9674 -12.7491 -12.7491 -12.5577 -12.5577 -11.5934 -11.5934 -6.8909 -6.8909 -6.8211 -6.8211 -5.2598 -5.2598 -5.2240 -5.2240 -4.9225 -4.9225 -2.8396 -2.8396 -1.3369 -1.3369 -0.8767 -0.8767 -0.7262 -0.7262 -0.4712 -0.4712 -0.2784 -0.2784 -0.1747 -0.1747 0.4343 0.4343 0.4815 0.4815 0.6226 0.6226 1.0322 1.0322 1.1328 1.1328 6.1905 6.1905 k = 0.0893 0.5000-0.0000 ( 4744 PWs) bands (ev): -12.9703 -12.9703 -12.7489 -12.7489 -12.5555 -12.5555 -11.5923 -11.5923 -6.8902 -6.8902 -6.8214 -6.8214 -5.2589 -5.2589 -5.2227 -5.2227 -4.9228 -4.9228 -2.8434 -2.8434 -1.3529 -1.3529 -0.8803 -0.8803 -0.7196 -0.7196 -0.4782 -0.4782 -0.2777 -0.2777 -0.1752 -0.1752 0.4539 0.4539 0.4872 0.4872 0.6170 0.6170 1.0359 1.0359 1.1430 1.1430 6.1830 6.1830 k = 0.0714 0.5000-0.0000 ( 4756 PWs) bands (ev): -12.9728 -12.9728 -12.7488 -12.7488 -12.5538 -12.5538 -11.5914 -11.5914 -6.8895 -6.8895 -6.8216 -6.8216 -5.2582 -5.2582 -5.2215 -5.2215 -4.9231 -4.9231 -2.8467 -2.8467 -1.3661 -1.3661 -0.8832 -0.8832 -0.7139 -0.7139 -0.4844 -0.4844 -0.2770 -0.2770 -0.1755 -0.1755 0.4695 0.4695 0.4955 0.4955 0.6091 0.6091 1.0389 1.0389 1.1520 1.1520 6.1767 6.1767 k = 0.0536 0.5000-0.0000 ( 4734 PWs) bands (ev): -12.9747 -12.9747 -12.7486 -12.7486 -12.5525 -12.5525 -11.5906 -11.5906 -6.8890 -6.8890 -6.8218 -6.8218 -5.2577 -5.2577 -5.2204 -5.2204 -4.9233 -4.9233 -2.8492 -2.8492 -1.3764 -1.3764 -0.8856 -0.8856 -0.7091 -0.7091 -0.4894 -0.4894 -0.2764 -0.2764 -0.1757 -0.1757 0.4784 0.4784 0.5089 0.5089 0.5990 0.5990 1.0412 1.0412 1.1593 1.1593 6.1720 6.1720 k = 0.0357 0.5000-0.0000 ( 4734 PWs) bands (ev): -12.9761 -12.9761 -12.7485 -12.7485 -12.5515 -12.5515 -11.5901 -11.5901 -6.8886 -6.8886 -6.8219 -6.8219 -5.2574 -5.2574 -5.2196 -5.2196 -4.9235 -4.9235 -2.8510 -2.8510 -1.3839 -1.3839 -0.8873 -0.8873 -0.7055 -0.7055 -0.4932 -0.4932 -0.2760 -0.2760 -0.1759 -0.1759 0.4826 0.4826 0.5253 0.5253 0.5870 0.5870 1.0429 1.0429 1.1647 1.1647 6.1685 6.1685 k = 0.0179 0.5000-0.0000 ( 4734 PWs) bands (ev): -12.9769 -12.9769 -12.7485 -12.7485 -12.5509 -12.5509 -11.5897 -11.5897 -6.8884 -6.8884 -6.8220 -6.8220 -5.2572 -5.2572 -5.2191 -5.2191 -4.9236 -4.9236 -2.8521 -2.8521 -1.3884 -1.3884 -0.8884 -0.8884 -0.7033 -0.7033 -0.4955 -0.4955 -0.2757 -0.2757 -0.1760 -0.1760 0.4846 0.4846 0.5422 0.5422 0.5734 0.5734 1.0439 1.0439 1.1680 1.1680 6.1664 6.1664 k = 0.0000 0.5000-0.0000 ( 4704 PWs) bands (ev): -12.9771 -12.9771 -12.7484 -12.7484 -12.5507 -12.5507 -11.5896 -11.5896 -6.8883 -6.8883 -6.8220 -6.8220 -5.2571 -5.2571 -5.2190 -5.2190 -4.9237 -4.9237 -2.8525 -2.8525 -1.3899 -1.3899 -0.8887 -0.8887 -0.7026 -0.7026 -0.4963 -0.4963 -0.2756 -0.2756 -0.1760 -0.1760 0.4852 0.4852 0.5582 0.5582 0.5586 0.5586 1.0443 1.0443 1.1692 1.1692 6.1658 6.1658 k = 0.0000 0.5000-0.0000 ( 4704 PWs) bands (ev): -12.9771 -12.9771 -12.7484 -12.7484 -12.5507 -12.5507 -11.5896 -11.5896 -6.8883 -6.8883 -6.8220 -6.8220 -5.2571 -5.2571 -5.2190 -5.2190 -4.9237 -4.9237 -2.8525 -2.8525 -1.3899 -1.3899 -0.8887 -0.8887 -0.7026 -0.7026 -0.4963 -0.4963 -0.2756 -0.2756 -0.1760 -0.1760 0.4852 0.4852 0.5582 0.5582 0.5586 0.5586 1.0443 1.0443 1.1692 1.1692 6.1658 6.1658 k = 0.0000 0.5000 0.0181 ( 4728 PWs) bands (ev): -12.9768 -12.9768 -12.7484 -12.7484 -12.5508 -12.5508 -11.5896 -11.5896 -6.8883 -6.8883 -6.8219 -6.8219 -5.2571 -5.2571 -5.2189 -5.2189 -4.9235 -4.9235 -2.8526 -2.8526 -1.3893 -1.3893 -0.8908 -0.8908 -0.7026 -0.7026 -0.4966 -0.4966 -0.2873 -0.2873 -0.1658 -0.1658 0.4848 0.4848 0.5568 0.5568 0.5615 0.5615 1.0438 1.0438 1.1684 1.1684 6.1664 6.1664 k = 0.0000 0.5000 0.0363 ( 4732 PWs) bands (ev): -12.9759 -12.9759 -12.7482 -12.7482 -12.5509 -12.5509 -11.5895 -11.5895 -6.8883 -6.8883 -6.8216 -6.8216 -5.2571 -5.2571 -5.2187 -5.2187 -4.9231 -4.9231 -2.8531 -2.8531 -1.3875 -1.3875 -0.8969 -0.8969 -0.7028 -0.7028 -0.4974 -0.4974 -0.3142 -0.3142 -0.1432 -0.1432 0.4840 0.4840 0.5554 0.5554 0.5674 0.5674 1.0423 1.0423 1.1663 1.1663 6.1685 6.1685 k = 0.0000 0.5000 0.0544 ( 4728 PWs) bands (ev): -12.9743 -12.9743 -12.7479 -12.7479 -12.5511 -12.5511 -11.5893 -11.5893 -6.8882 -6.8882 -6.8210 -6.8210 -5.2570 -5.2570 -5.2183 -5.2183 -4.9225 -4.9225 -2.8538 -2.8538 -1.3846 -1.3846 -0.9069 -0.9069 -0.7030 -0.7030 -0.4988 -0.4988 -0.3474 -0.3474 -0.1169 -0.1169 0.4827 0.4827 0.5537 0.5537 0.5764 0.5764 1.0400 1.0400 1.1627 1.1627 6.1719 6.1719 k = 0.0000 0.5000 0.0725 ( 4736 PWs) bands (ev): -12.9722 -12.9722 -12.7474 -12.7474 -12.5514 -12.5514 -11.5890 -11.5890 -6.8882 -6.8882 -6.8203 -6.8203 -5.2568 -5.2568 -5.2178 -5.2178 -4.9216 -4.9216 -2.8549 -2.8549 -1.3805 -1.3805 -0.9206 -0.9206 -0.7035 -0.7035 -0.5007 -0.5007 -0.3834 -0.3834 -0.0904 -0.0904 0.4811 0.4811 0.5514 0.5514 0.5882 0.5882 1.0367 1.0367 1.1577 1.1577 6.1767 6.1767 k = 0.0000 0.5000 0.0907 ( 4736 PWs) bands (ev): -12.9694 -12.9694 -12.7469 -12.7469 -12.5518 -12.5518 -11.5887 -11.5887 -6.8881 -6.8881 -6.8194 -6.8194 -5.2567 -5.2567 -5.2172 -5.2172 -4.9204 -4.9204 -2.8563 -2.8563 -1.3754 -1.3754 -0.9377 -0.9377 -0.7044 -0.7044 -0.5034 -0.5034 -0.4205 -0.4205 -0.0647 -0.0647 0.4794 0.4794 0.5486 0.5486 0.6025 0.6025 1.0327 1.0327 1.1513 1.1513 6.1827 6.1827 k = 0.0000 0.5000 0.1088 ( 4748 PWs) bands (ev): -12.9660 -12.9660 -12.7462 -12.7462 -12.5523 -12.5523 -11.5883 -11.5883 -6.8881 -6.8881 -6.8182 -6.8182 -5.2565 -5.2565 -5.2165 -5.2165 -4.9189 -4.9189 -2.8579 -2.8579 -1.3695 -1.3695 -0.9577 -0.9577 -0.7060 -0.7060 -0.5071 -0.5071 -0.4575 -0.4575 -0.0403 -0.0403 0.4776 0.4776 0.5452 0.5452 0.6189 0.6189 1.0279 1.0279 1.1435 1.1435 6.1899 6.1899 k = 0.0000 0.5000 0.1269 ( 4752 PWs) bands (ev): -12.9621 -12.9621 -12.7455 -12.7455 -12.5529 -12.5529 -11.5878 -11.5878 -6.8881 -6.8881 -6.8168 -6.8168 -5.2563 -5.2563 -5.2157 -5.2157 -4.9171 -4.9171 -2.8598 -2.8598 -1.3629 -1.3629 -0.9803 -0.9803 -0.7089 -0.7089 -0.5146 -0.5146 -0.4904 -0.4904 -0.0175 -0.0175 0.4757 0.4757 0.5414 0.5414 0.6369 0.6369 1.0225 1.0225 1.1345 1.1345 6.1983 6.1983 k = 0.0000 0.5000 0.1450 ( 4756 PWs) bands (ev): -12.9575 -12.9575 -12.7446 -12.7446 -12.5535 -12.5535 -11.5873 -11.5873 -6.8881 -6.8881 -6.8152 -6.8152 -5.2561 -5.2561 -5.2149 -5.2149 -4.9149 -4.9149 -2.8620 -2.8620 -1.3559 -1.3559 -1.0050 -1.0050 -0.7142 -0.7142 -0.5371 -0.5371 -0.5066 -0.5066 0.0035 0.0035 0.4738 0.4738 0.5370 0.5370 0.6560 0.6560 1.0166 1.0166 1.1242 1.1242 6.2076 6.2076 k = 0.0000 0.5000 0.1632 ( 4754 PWs) bands (ev): -12.9524 -12.9524 -12.7436 -12.7436 -12.5543 -12.5543 -11.5867 -11.5867 -6.8882 -6.8882 -6.8133 -6.8133 -5.2559 -5.2559 -5.2141 -5.2141 -4.9124 -4.9124 -2.8645 -2.8645 -1.3487 -1.3487 -1.0311 -1.0311 -0.7235 -0.7235 -0.5659 -0.5659 -0.5127 -0.5127 0.0227 0.0227 0.4719 0.4719 0.5322 0.5322 0.6758 0.6758 1.0104 1.0104 1.1127 1.1127 6.2179 6.2179 k = 0.0000 0.5000 0.1813 ( 4754 PWs) bands (ev): -12.9468 -12.9468 -12.7425 -12.7425 -12.5553 -12.5553 -11.5861 -11.5861 -6.8884 -6.8884 -6.8112 -6.8112 -5.2556 -5.2556 -5.2132 -5.2132 -4.9095 -4.9095 -2.8672 -2.8672 -1.3419 -1.3419 -1.0583 -1.0583 -0.7385 -0.7385 -0.5900 -0.5900 -0.5176 -0.5176 0.0399 0.0399 0.4700 0.4700 0.5272 0.5272 0.6958 0.6958 1.0041 1.0041 1.1002 1.1002 6.2290 6.2290 k = 0.0000 0.5000 0.1994 ( 4762 PWs) bands (ev): -12.9407 -12.9407 -12.7413 -12.7413 -12.5563 -12.5563 -11.5854 -11.5854 -6.8887 -6.8887 -6.8089 -6.8089 -5.2553 -5.2553 -5.2124 -5.2124 -4.9062 -4.9062 -2.8701 -2.8701 -1.3361 -1.3361 -1.0859 -1.0859 -0.7600 -0.7600 -0.6068 -0.6068 -0.5223 -0.5223 0.0551 0.0551 0.4680 0.4680 0.5218 0.5218 0.7155 0.7155 0.9978 0.9978 1.0868 1.0868 6.2408 6.2408 k = 0.0000 0.5000 0.2176 ( 4758 PWs) bands (ev): -12.9341 -12.9341 -12.7401 -12.7401 -12.5575 -12.5575 -11.5846 -11.5846 -6.8891 -6.8891 -6.8063 -6.8063 -5.2551 -5.2551 -5.2117 -5.2117 -4.9026 -4.9026 -2.8732 -2.8732 -1.3321 -1.3321 -1.1133 -1.1133 -0.7866 -0.7866 -0.6166 -0.6166 -0.5271 -0.5271 0.0682 0.0682 0.4660 0.4660 0.5163 0.5163 0.7343 0.7343 0.9918 0.9918 1.0727 1.0727 6.2531 6.2531 k = 0.0000 0.5000 0.2357 ( 4756 PWs) bands (ev): -12.9270 -12.9270 -12.7388 -12.7388 -12.5588 -12.5588 -11.5838 -11.5838 -6.8897 -6.8897 -6.8036 -6.8036 -5.2547 -5.2547 -5.2110 -5.2110 -4.8985 -4.8985 -2.8766 -2.8766 -1.3309 -1.3309 -1.1401 -1.1401 -0.8156 -0.8156 -0.6215 -0.6215 -0.5319 -0.5319 0.0791 0.0791 0.4640 0.4640 0.5108 0.5108 0.7515 0.7515 0.9865 0.9865 1.0581 1.0581 6.2659 6.2659 k = 0.0000 0.5000 0.2538 ( 4760 PWs) bands (ev): -12.9194 -12.9194 -12.7374 -12.7374 -12.5603 -12.5603 -11.5830 -11.5830 -6.8903 -6.8903 -6.8006 -6.8006 -5.2544 -5.2544 -5.2105 -5.2105 -4.8940 -4.8940 -2.8801 -2.8801 -1.3337 -1.3337 -1.1656 -1.1656 -0.8440 -0.8440 -0.6231 -0.6231 -0.5367 -0.5367 0.0878 0.0878 0.4620 0.4620 0.5053 0.5053 0.7664 0.7664 0.9822 0.9822 1.0432 1.0432 6.2789 6.2789 k = 0.0000 0.5000 0.2720 ( 4760 PWs) bands (ev): -12.9115 -12.9115 -12.7360 -12.7360 -12.5619 -12.5619 -11.5821 -11.5821 -6.8910 -6.8910 -6.7975 -6.7975 -5.2540 -5.2540 -5.2102 -5.2102 -4.8890 -4.8890 -2.8837 -2.8837 -1.3416 -1.3416 -1.1900 -1.1900 -0.8693 -0.8693 -0.6226 -0.6226 -0.5415 -0.5415 0.0941 0.0941 0.4600 0.4600 0.5000 0.5000 0.7781 0.7781 0.9796 0.9796 1.0285 1.0285 6.2922 6.2922 k = 0.0000 0.5000 0.2901 ( 4756 PWs) bands (ev): -12.9031 -12.9031 -12.7345 -12.7345 -12.5638 -12.5638 -11.5812 -11.5812 -6.8919 -6.8919 -6.7943 -6.7943 -5.2536 -5.2536 -5.2101 -5.2101 -4.8837 -4.8837 -2.8874 -2.8874 -1.3549 -1.3549 -1.2137 -1.2137 -0.8894 -0.8894 -0.6208 -0.6208 -0.5462 -0.5462 0.0981 0.0981 0.4580 0.4580 0.4950 0.4950 0.7857 0.7857 0.9791 0.9791 1.0143 1.0143 6.3055 6.3055 k = 0.0000 0.5000 0.3082 ( 4766 PWs) bands (ev): -12.8944 -12.8944 -12.7330 -12.7330 -12.5658 -12.5658 -11.5803 -11.5803 -6.8929 -6.8929 -6.7909 -6.7909 -5.2531 -5.2531 -5.2101 -5.2101 -4.8780 -4.8780 -2.8912 -2.8912 -1.3732 -1.3732 -1.2378 -1.2378 -0.9028 -0.9028 -0.6182 -0.6182 -0.5508 -0.5508 0.0996 0.0996 0.4559 0.4559 0.4905 0.4905 0.7883 0.7883 0.9810 0.9810 1.0012 1.0012 6.3187 6.3187 k = 0.0000 0.5000 0.3264 ( 4774 PWs) bands (ev): -12.8854 -12.8854 -12.7315 -12.7315 -12.5680 -12.5680 -11.5793 -11.5793 -6.8939 -6.8939 -6.7874 -6.7874 -5.2527 -5.2527 -5.2104 -5.2104 -4.8719 -4.8719 -2.8951 -2.8951 -1.3956 -1.3956 -1.2635 -1.2635 -0.9090 -0.9090 -0.6151 -0.6151 -0.5550 -0.5550 0.0988 0.0988 0.4538 0.4538 0.4864 0.4864 0.7857 0.7857 0.9831 0.9831 0.9918 0.9918 6.3317 6.3317 k = 0.0000 0.5000 0.3445 ( 4770 PWs) bands (ev): -12.8761 -12.8761 -12.7299 -12.7299 -12.5704 -12.5704 -11.5784 -11.5784 -6.8951 -6.8951 -6.7839 -6.7839 -5.2521 -5.2521 -5.2109 -5.2109 -4.8655 -4.8655 -2.8989 -2.8989 -1.4209 -1.4209 -1.2911 -1.2911 -0.9080 -0.9080 -0.6116 -0.6116 -0.5589 -0.5589 0.0955 0.0955 0.4517 0.4517 0.4828 0.4828 0.7780 0.7780 0.9758 0.9758 0.9957 0.9957 6.3445 6.3445 k = 0.0000 0.5000 0.3626 ( 4766 PWs) bands (ev): -12.8665 -12.8665 -12.7284 -12.7284 -12.5731 -12.5731 -11.5774 -11.5774 -6.8963 -6.8963 -6.7803 -6.7803 -5.2516 -5.2516 -5.2116 -5.2116 -4.8588 -4.8588 -2.9027 -2.9027 -1.4485 -1.4485 -1.3203 -1.3203 -0.9009 -0.9009 -0.6079 -0.6079 -0.5624 -0.5624 0.0897 0.0897 0.4496 0.4496 0.4798 0.4798 0.7658 0.7658 0.9666 0.9666 1.0047 1.0047 6.3569 6.3569 k = 0.0000 0.5000 0.3807 ( 4778 PWs) bands (ev): -12.8567 -12.8567 -12.7268 -12.7268 -12.5759 -12.5759 -11.5765 -11.5765 -6.8975 -6.8975 -6.7767 -6.7767 -5.2510 -5.2510 -5.2124 -5.2124 -4.8518 -4.8518 -2.9064 -2.9064 -1.4776 -1.4776 -1.3503 -1.3503 -0.8886 -0.8886 -0.6041 -0.6041 -0.5655 -0.5655 0.0817 0.0817 0.4476 0.4476 0.4772 0.4772 0.7500 0.7500 0.9586 0.9586 1.0153 1.0153 6.3688 6.3688 k = 0.0000 0.5000 0.3989 ( 4764 PWs) bands (ev): -12.8466 -12.8466 -12.7253 -12.7253 -12.5791 -12.5791 -11.5755 -11.5755 -6.8989 -6.8989 -6.7731 -6.7731 -5.2504 -5.2504 -5.2134 -5.2134 -4.8447 -4.8447 -2.9100 -2.9100 -1.5078 -1.5078 -1.3802 -1.3802 -0.8723 -0.8723 -0.6003 -0.6003 -0.5679 -0.5679 0.0713 0.0713 0.4456 0.4456 0.4752 0.4752 0.7313 0.7313 0.9518 0.9518 1.0266 1.0266 6.3802 6.3802 k = 0.0000 0.5000 0.4170 ( 4756 PWs) bands (ev): -12.8365 -12.8365 -12.7238 -12.7238 -12.5824 -12.5824 -11.5746 -11.5746 -6.9002 -6.9002 -6.7696 -6.7696 -5.2499 -5.2499 -5.2145 -5.2145 -4.8375 -4.8375 -2.9135 -2.9135 -1.5388 -1.5388 -1.4093 -1.4093 -0.8528 -0.8528 -0.5965 -0.5965 -0.5696 -0.5696 0.0588 0.0588 0.4438 0.4438 0.4734 0.4734 0.7105 0.7105 0.9462 0.9462 1.0382 1.0382 6.3910 6.3910 k = 0.0000 0.5000 0.4351 ( 4758 PWs) bands (ev): -12.8262 -12.8262 -12.7223 -12.7223 -12.5861 -12.5861 -11.5737 -11.5737 -6.9016 -6.9016 -6.7661 -6.7661 -5.2493 -5.2493 -5.2157 -5.2157 -4.8302 -4.8302 -2.9168 -2.9168 -1.5704 -1.5704 -1.4370 -1.4370 -0.8309 -0.8309 -0.5929 -0.5929 -0.5705 -0.5705 0.0442 0.0442 0.4421 0.4421 0.4720 0.4720 0.6882 0.6882 0.9415 0.9415 1.0496 1.0496 6.4012 6.4012 k = 0.0000 0.5000 0.4533 ( 4764 PWs) bands (ev): -12.8158 -12.8158 -12.7209 -12.7209 -12.5900 -12.5900 -11.5728 -11.5728 -6.9030 -6.9030 -6.7628 -6.7628 -5.2488 -5.2488 -5.2170 -5.2170 -4.8229 -4.8229 -2.9199 -2.9199 -1.6021 -1.6021 -1.4630 -1.4630 -0.8072 -0.8072 -0.5895 -0.5895 -0.5706 -0.5706 0.0278 0.0278 0.4406 0.4406 0.4708 0.4708 0.6651 0.6651 0.9378 0.9378 1.0607 1.0607 6.4107 6.4107 k = 0.0000 0.5000 0.4714 ( 4766 PWs) bands (ev): -12.8054 -12.8054 -12.7195 -12.7195 -12.5942 -12.5942 -11.5719 -11.5719 -6.9044 -6.9044 -6.7596 -6.7596 -5.2484 -5.2484 -5.2182 -5.2182 -4.8157 -4.8157 -2.9228 -2.9228 -1.6335 -1.6335 -1.4870 -1.4870 -0.7822 -0.7822 -0.5863 -0.5863 -0.5696 -0.5696 0.0095 0.0095 0.4391 0.4391 0.4697 0.4697 0.6417 0.6417 0.9348 0.9349 1.0713 1.0713 6.4195 6.4195 k = 0.0000 0.5000 0.4895 ( 4754 PWs) bands (ev): -12.7949 -12.7949 -12.7182 -12.7182 -12.5987 -12.5987 -11.5711 -11.5711 -6.9057 -6.9057 -6.7565 -6.7565 -5.2481 -5.2481 -5.2194 -5.2194 -4.8087 -4.8087 -2.9254 -2.9254 -1.6643 -1.6643 -1.5091 -1.5091 -0.7565 -0.7565 -0.5835 -0.5835 -0.5673 -0.5673 -0.0103 -0.0103 0.4378 0.4378 0.4686 0.4686 0.6184 0.6184 0.9326 0.9326 1.0812 1.0812 6.4276 6.4276 k = 0.0000 0.5000 0.5077 ( 4756 PWs) bands (ev): -12.7844 -12.7844 -12.7170 -12.7170 -12.6035 -12.6035 -11.5703 -11.5703 -6.9071 -6.9071 -6.7536 -6.7536 -5.2479 -5.2479 -5.2205 -5.2205 -4.8020 -4.8020 -2.9278 -2.9278 -1.6940 -1.6940 -1.5292 -1.5292 -0.7306 -0.7306 -0.5809 -0.5809 -0.5635 -0.5635 -0.0317 -0.0317 0.4364 0.4364 0.4676 0.4676 0.5956 0.5956 0.9309 0.9309 1.0904 1.0904 6.4350 6.4350 k = 0.0000 0.5000 0.5258 ( 4770 PWs) bands (ev): -12.7740 -12.7740 -12.7158 -12.7158 -12.6087 -12.6087 -11.5696 -11.5696 -6.9083 -6.9083 -6.7508 -6.7508 -5.2479 -5.2479 -5.2214 -5.2214 -4.7955 -4.7955 -2.9300 -2.9300 -1.7222 -1.7222 -1.5475 -1.5475 -0.7052 -0.7052 -0.5785 -0.5785 -0.5580 -0.5580 -0.0544 -0.0544 0.4350 0.4350 0.4664 0.4664 0.5739 0.5739 0.9296 0.9296 1.0988 1.0988 6.4416 6.4416 k = 0.0000 0.5000 0.5439 ( 4762 PWs) bands (ev): -12.7636 -12.7636 -12.7147 -12.7147 -12.6141 -12.6141 -11.5689 -11.5689 -6.9095 -6.9095 -6.7483 -6.7483 -5.2479 -5.2479 -5.2222 -5.2222 -4.7894 -4.7894 -2.9319 -2.9319 -1.7487 -1.7487 -1.5638 -1.5638 -0.6812 -0.6812 -0.5763 -0.5763 -0.5501 -0.5501 -0.0784 -0.0784 0.4335 0.4335 0.4650 0.4650 0.5538 0.5538 0.9288 0.9288 1.1065 1.1065 6.4476 6.4476 k = 0.0000 0.5000 0.5621 ( 4766 PWs) bands (ev): -12.7534 -12.7534 -12.7138 -12.7138 -12.6199 -12.6199 -11.5683 -11.5683 -6.9106 -6.9106 -6.7460 -6.7460 -5.2482 -5.2482 -5.2227 -5.2227 -4.7838 -4.7838 -2.9335 -2.9335 -1.7731 -1.7731 -1.5784 -1.5784 -0.6596 -0.6596 -0.5742 -0.5742 -0.5391 -0.5391 -0.1035 -0.1035 0.4316 0.4316 0.4633 0.4633 0.5359 0.5359 0.9282 0.9282 1.1133 1.1133 6.4528 6.4528 k = 0.0000 0.5000 0.5802 ( 4758 PWs) bands (ev): -12.7433 -12.7433 -12.7129 -12.7129 -12.6260 -12.6260 -11.5677 -11.5677 -6.9116 -6.9116 -6.7439 -6.7439 -5.2485 -5.2485 -5.2231 -5.2231 -4.7787 -4.7787 -2.9349 -2.9349 -1.7951 -1.7951 -1.5912 -1.5912 -0.6414 -0.6414 -0.5723 -0.5723 -0.5243 -0.5243 -0.1295 -0.1295 0.4292 0.4292 0.4612 0.4612 0.5206 0.5206 0.9279 0.9279 1.1193 1.1193 6.4574 6.4574 k = 0.0000 0.5000 0.5983 ( 4758 PWs) bands (ev): -12.7333 -12.7333 -12.7121 -12.7121 -12.6324 -12.6324 -11.5673 -11.5673 -6.9125 -6.9125 -6.7421 -6.7421 -5.2489 -5.2489 -5.2234 -5.2234 -4.7741 -4.7741 -2.9361 -2.9361 -1.8147 -1.8147 -1.6023 -1.6023 -0.6272 -0.6272 -0.5706 -0.5706 -0.5053 -0.5053 -0.1563 -0.1563 0.4260 0.4260 0.4585 0.4585 0.5085 0.5085 0.9278 0.9278 1.1245 1.1245 6.4613 6.4613 k = 0.0000 0.5000 0.6165 ( 4756 PWs) bands (ev): -12.7235 -12.7235 -12.7114 -12.7114 -12.6391 -12.6391 -11.5668 -11.5668 -6.9133 -6.9133 -6.7406 -6.7406 -5.2494 -5.2494 -5.2235 -5.2235 -4.7702 -4.7702 -2.9371 -2.9371 -1.8315 -1.8315 -1.6117 -1.6117 -0.6167 -0.6167 -0.5691 -0.5691 -0.4826 -0.4826 -0.1838 -0.1838 0.4221 0.4221 0.4557 0.4557 0.4998 0.4998 0.9278 0.9278 1.1289 1.1289 6.4646 6.4646 k = 0.0000 0.5000 0.6346 ( 4764 PWs) bands (ev): -12.7140 -12.7140 -12.7108 -12.7108 -12.6462 -12.6462 -11.5665 -11.5665 -6.9140 -6.9140 -6.7393 -6.7393 -5.2499 -5.2499 -5.2236 -5.2236 -4.7669 -4.7669 -2.9378 -2.9378 -1.8454 -1.8454 -1.6193 -1.6193 -0.6093 -0.6093 -0.5678 -0.5678 -0.4574 -0.4574 -0.2118 -0.2118 0.4174 0.4174 0.4532 0.4532 0.4939 0.4939 0.9278 0.9278 1.1325 1.1325 6.4672 6.4672 k = 0.0000 0.5000 0.6527 ( 4764 PWs) bands (ev): -12.7105 -12.7105 -12.7045 -12.7045 -12.6535 -12.6535 -11.5662 -11.5662 -6.9145 -6.9145 -6.7383 -6.7383 -5.2502 -5.2502 -5.2236 -5.2236 -4.7643 -4.7643 -2.9384 -2.9384 -1.8564 -1.8564 -1.6252 -1.6252 -0.6041 -0.6041 -0.5668 -0.5668 -0.4307 -0.4307 -0.2398 -0.2398 0.4127 0.4127 0.4512 0.4512 0.4901 0.4901 0.9279 0.9279 1.1353 1.1353 6.4692 6.4692 k = 0.0000 0.5000 0.6708 ( 4764 PWs) bands (ev): -12.7102 -12.7102 -12.6955 -12.6955 -12.6611 -12.6611 -11.5660 -11.5660 -6.9148 -6.9148 -6.7376 -6.7376 -5.2506 -5.2506 -5.2236 -5.2236 -4.7624 -4.7624 -2.9388 -2.9388 -1.8643 -1.8643 -1.6295 -1.6295 -0.6007 -0.6007 -0.5661 -0.5661 -0.4040 -0.4040 -0.2671 -0.2671 0.4088 0.4088 0.4498 0.4498 0.4879 0.4879 0.9280 0.9280 1.1373 1.1373 6.4707 6.4707 k = 0.0000 0.5000 0.6890 ( 4772 PWs) bands (ev): -12.7100 -12.7100 -12.6868 -12.6868 -12.6689 -12.6689 -11.5659 -11.5659 -6.9151 -6.9151 -6.7371 -6.7371 -5.2507 -5.2507 -5.2236 -5.2236 -4.7613 -4.7613 -2.9390 -2.9390 -1.8691 -1.8691 -1.6320 -1.6320 -0.5988 -0.5988 -0.5657 -0.5657 -0.3800 -0.3800 -0.2913 -0.2913 0.4061 0.4061 0.4490 0.4490 0.4868 0.4868 0.9281 0.9281 1.1385 1.1385 6.4715 6.4715 k = 0.0000 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7099 -12.7099 -12.6806 -12.6806 -12.6748 -12.6748 -11.5659 -11.5659 -6.9152 -6.9152 -6.7370 -6.7370 -5.2508 -5.2508 -5.2236 -5.2236 -4.7609 -4.7609 -2.9391 -2.9391 -1.8707 -1.8707 -1.6329 -1.6329 -0.5982 -0.5982 -0.5655 -0.5655 -0.3681 -0.3681 -0.3032 -0.3032 0.4052 0.4052 0.4488 0.4488 0.4864 0.4864 0.9281 0.9281 1.1389 1.1389 6.4718 6.4718 k = 0.0000 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7099 -12.7099 -12.6806 -12.6806 -12.6748 -12.6748 -11.5659 -11.5659 -6.9152 -6.9152 -6.7370 -6.7370 -5.2508 -5.2508 -5.2236 -5.2236 -4.7609 -4.7609 -2.9391 -2.9391 -1.8707 -1.8707 -1.6329 -1.6329 -0.5982 -0.5982 -0.5655 -0.5655 -0.3681 -0.3681 -0.3032 -0.3032 0.4052 0.4052 0.4488 0.4488 0.4864 0.4864 0.9281 0.9281 1.1389 1.1389 6.4718 6.4718 k = 0.0179 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7099 -12.7099 -12.6806 -12.6806 -12.6748 -12.6748 -11.5659 -11.5659 -6.9151 -6.9151 -6.7370 -6.7370 -5.2507 -5.2507 -5.2236 -5.2236 -4.7609 -4.7609 -2.9402 -2.9402 -1.8709 -1.8709 -1.6346 -1.6346 -0.6082 -0.6082 -0.5556 -0.5556 -0.3660 -0.3660 -0.3036 -0.3036 0.4071 0.4071 0.4497 0.4497 0.4867 0.4867 0.9284 0.9284 1.1387 1.1387 6.4699 6.4699 k = 0.0357 0.5000 0.7071 ( 4768 PWs) bands (ev): -12.7100 -12.7100 -12.6805 -12.6805 -12.6747 -12.6747 -11.5659 -11.5659 -6.9150 -6.9150 -6.7369 -6.7369 -5.2503 -5.2503 -5.2235 -5.2235 -4.7609 -4.7609 -2.9433 -2.9433 -1.8716 -1.8716 -1.6399 -1.6399 -0.6263 -0.6263 -0.5376 -0.5376 -0.3599 -0.3599 -0.3049 -0.3049 0.4124 0.4124 0.4525 0.4525 0.4877 0.4877 0.9295 0.9295 1.1383 1.1383 6.4641 6.4641 k = 0.0536 0.5000 0.7071 ( 4768 PWs) bands (ev): -12.7100 -12.7100 -12.6804 -12.6804 -12.6746 -12.6746 -11.5660 -11.5660 -6.9148 -6.9148 -6.7368 -6.7368 -5.2497 -5.2497 -5.2234 -5.2234 -4.7610 -4.7610 -2.9484 -2.9484 -1.8728 -1.8728 -1.6484 -1.6484 -0.6462 -0.6462 -0.5176 -0.5176 -0.3502 -0.3502 -0.3067 -0.3067 0.4201 0.4201 0.4582 0.4582 0.4893 0.4893 0.9312 0.9312 1.1376 1.1376 6.4546 6.4546 k = 0.0714 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7101 -12.7101 -12.6803 -12.6803 -12.6743 -12.6743 -11.5662 -11.5662 -6.9146 -6.9146 -6.7367 -6.7367 -5.2489 -5.2489 -5.2233 -5.2233 -4.7610 -4.7610 -2.9555 -2.9555 -1.8747 -1.8747 -1.6600 -1.6600 -0.6667 -0.6667 -0.4966 -0.4966 -0.3375 -0.3375 -0.3087 -0.3087 0.4283 0.4283 0.4681 0.4681 0.4917 0.4917 0.9335 0.9335 1.1366 1.1366 6.4414 6.4414 k = 0.0893 0.5000 0.7071 ( 4764 PWs) bands (ev): -12.7101 -12.7101 -12.6801 -12.6801 -12.6741 -12.6741 -11.5664 -11.5664 -6.9143 -6.9143 -6.7366 -6.7366 -5.2479 -5.2479 -5.2231 -5.2231 -4.7611 -4.7611 -2.9642 -2.9642 -1.8773 -1.8773 -1.6742 -1.6742 -0.6874 -0.6874 -0.4747 -0.4747 -0.3225 -0.3225 -0.3104 -0.3104 0.4355 0.4355 0.4825 0.4825 0.4954 0.4954 0.9366 0.9366 1.1353 1.1353 6.4250 6.4250 k = 0.1071 0.5000 0.7071 ( 4748 PWs) bands (ev): -12.7102 -12.7102 -12.6799 -12.6799 -12.6737 -12.6737 -11.5666 -11.5666 -6.9139 -6.9139 -6.7365 -6.7365 -5.2467 -5.2467 -5.2229 -5.2229 -4.7612 -4.7612 -2.9745 -2.9745 -1.8809 -1.8809 -1.6907 -1.6907 -0.7081 -0.7081 -0.4520 -0.4520 -0.3123 -0.3123 -0.3051 -0.3051 0.4416 0.4416 0.4949 0.4949 0.5066 0.5066 0.9403 0.9403 1.1337 1.1337 6.4054 6.4054 k = 0.1250 0.5000 0.7071 ( 4748 PWs) bands (ev): -12.7103 -12.7103 -12.6796 -12.6796 -12.6734 -12.6734 -11.5668 -11.5668 -6.9135 -6.9135 -6.7363 -6.7363 -5.2453 -5.2453 -5.2226 -5.2226 -4.7613 -4.7613 -2.9862 -2.9862 -1.8855 -1.8855 -1.7090 -1.7090 -0.7286 -0.7286 -0.4286 -0.4286 -0.3124 -0.3124 -0.2874 -0.2874 0.4472 0.4472 0.5001 0.5001 0.5292 0.5292 0.9447 0.9447 1.1318 1.1318 6.3831 6.3831 k = 0.1429 0.5000 0.7071 ( 4752 PWs) bands (ev): -12.7104 -12.7104 -12.6793 -12.6793 -12.6729 -12.6729 -11.5671 -11.5671 -6.9130 -6.9130 -6.7361 -6.7361 -5.2440 -5.2440 -5.2221 -5.2221 -4.7615 -4.7615 -2.9989 -2.9989 -1.8913 -1.8913 -1.7287 -1.7287 -0.7487 -0.7487 -0.4048 -0.4048 -0.3113 -0.3113 -0.2688 -0.2688 0.4528 0.4528 0.5048 0.5048 0.5555 0.5555 0.9497 0.9497 1.1296 1.1296 6.3582 6.3582 k = 0.1607 0.5000 0.7071 ( 4740 PWs) bands (ev): -12.7105 -12.7105 -12.6790 -12.6790 -12.6725 -12.6725 -11.5674 -11.5674 -6.9125 -6.9125 -6.7359 -6.7359 -5.2426 -5.2426 -5.2214 -5.2214 -4.7616 -4.7616 -3.0125 -3.0125 -1.8983 -1.8983 -1.7493 -1.7493 -0.7684 -0.7684 -0.3811 -0.3811 -0.3085 -0.3085 -0.2498 -0.2498 0.4587 0.4587 0.5098 0.5098 0.5838 0.5838 0.9555 0.9555 1.1272 1.1272 6.3313 6.3313 k = 0.1786 0.5000 0.7071 ( 4740 PWs) bands (ev): -12.7106 -12.7106 -12.6787 -12.6787 -12.6720 -12.6720 -11.5678 -11.5678 -6.9119 -6.9119 -6.7356 -6.7356 -5.2412 -5.2412 -5.2206 -5.2206 -4.7617 -4.7617 -3.0267 -3.0267 -1.9067 -1.9067 -1.7705 -1.7705 -0.7876 -0.7876 -0.3580 -0.3580 -0.3033 -0.3033 -0.2309 -0.2309 0.4650 0.4650 0.5153 0.5153 0.6133 0.6133 0.9618 0.9618 1.1246 1.1246 6.3027 6.3027 k = 0.1964 0.5000 0.7071 ( 4752 PWs) bands (ev): -12.7107 -12.7107 -12.6784 -12.6784 -12.6715 -12.6715 -11.5681 -11.5681 -6.9113 -6.9113 -6.7354 -6.7354 -5.2400 -5.2400 -5.2195 -5.2195 -4.7619 -4.7619 -3.0414 -3.0414 -1.9164 -1.9164 -1.7919 -1.7919 -0.8060 -0.8060 -0.3368 -0.3368 -0.2949 -0.2949 -0.2123 -0.2123 0.4718 0.4718 0.5211 0.5211 0.6433 0.6433 0.9688 0.9688 1.1217 1.1217 6.2727 6.2727 k = 0.2143 0.5000 0.7071 ( 4760 PWs) bands (ev): -12.7108 -12.7108 -12.6780 -12.6780 -12.6709 -12.6709 -11.5685 -11.5685 -6.9107 -6.9107 -6.7351 -6.7351 -5.2389 -5.2389 -5.2182 -5.2182 -4.7620 -4.7620 -3.0563 -3.0563 -1.9274 -1.9274 -1.8130 -1.8130 -0.8238 -0.8238 -0.3190 -0.3190 -0.2818 -0.2818 -0.1942 -0.1942 0.4791 0.4791 0.5272 0.5272 0.6735 0.6735 0.9763 0.9763 1.1186 1.1186 6.2418 6.2418 k = 0.2321 0.5000 0.7071 ( 4756 PWs) bands (ev): -12.7110 -12.7110 -12.6776 -12.6776 -12.6704 -12.6704 -11.5689 -11.5689 -6.9101 -6.9101 -6.7348 -6.7348 -5.2380 -5.2380 -5.2166 -5.2166 -4.7621 -4.7621 -3.0711 -3.0711 -1.9395 -1.9395 -1.8337 -1.8337 -0.8407 -0.8407 -0.3051 -0.3051 -0.2642 -0.2642 -0.1768 -0.1768 0.4871 0.4871 0.5337 0.5337 0.7032 0.7032 0.9844 0.9844 1.1154 1.1154 6.2105 6.2105 k = 0.2500 0.5000 0.7071 ( 4744 PWs) bands (ev): -12.7111 -12.7111 -12.6773 -12.6773 -12.6698 -12.6698 -11.5692 -11.5692 -6.9095 -6.9095 -6.7345 -6.7345 -5.2373 -5.2373 -5.2148 -5.2148 -4.7622 -4.7622 -3.0858 -3.0858 -1.9526 -1.9526 -1.8537 -1.8537 -0.8567 -0.8567 -0.2933 -0.2933 -0.2440 -0.2440 -0.1602 -0.1602 0.4956 0.4956 0.5403 0.5403 0.7321 0.7321 0.9930 0.9930 1.1121 1.1121 6.1790 6.1790 k = 0.2679 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7112 -12.7112 -12.6769 -12.6769 -12.6693 -12.6693 -11.5696 -11.5696 -6.9089 -6.9089 -6.7342 -6.7342 -5.2368 -5.2368 -5.2128 -5.2128 -4.7623 -4.7623 -3.1001 -3.1001 -1.9665 -1.9665 -1.8727 -1.8727 -0.8719 -0.8719 -0.2822 -0.2822 -0.2232 -0.2232 -0.1446 -0.1446 0.5046 0.5046 0.5470 0.5470 0.7598 0.7598 1.0019 1.0019 1.1087 1.1087 6.1477 6.1477 k = 0.2857 0.5000 0.7071 ( 4780 PWs) bands (ev): -12.7113 -12.7113 -12.6766 -12.6766 -12.6687 -12.6687 -11.5700 -11.5700 -6.9084 -6.9084 -6.7339 -6.7339 -5.2364 -5.2364 -5.2107 -5.2107 -4.7624 -4.7624 -3.1140 -3.1140 -1.9809 -1.9809 -1.8908 -1.8908 -0.8861 -0.8861 -0.2713 -0.2713 -0.2028 -0.2028 -0.1300 -0.1300 0.5141 0.5141 0.5537 0.5537 0.7858 0.7858 1.0111 1.0111 1.1054 1.1054 6.1171 6.1171 k = 0.3036 0.5000 0.7071 ( 4776 PWs) bands (ev): -12.7114 -12.7114 -12.6763 -12.6763 -12.6682 -12.6682 -11.5704 -11.5704 -6.9078 -6.9078 -6.7336 -6.7336 -5.2362 -5.2362 -5.2084 -5.2084 -4.7624 -4.7624 -3.1271 -3.1271 -1.9955 -1.9955 -1.9077 -1.9077 -0.8992 -0.8992 -0.2604 -0.2604 -0.1833 -0.1833 -0.1166 -0.1166 0.5239 0.5239 0.5604 0.5604 0.8099 0.8099 1.0205 1.0205 1.1024 1.1024 6.0876 6.0876 k = 0.3214 0.5000 0.7071 ( 4776 PWs) bands (ev): -12.7115 -12.7115 -12.6759 -12.6759 -12.6676 -12.6676 -11.5707 -11.5707 -6.9073 -6.9073 -6.7333 -6.7333 -5.2360 -5.2360 -5.2062 -5.2062 -4.7625 -4.7625 -3.1395 -3.1395 -2.0098 -2.0098 -1.9234 -1.9234 -0.9113 -0.9113 -0.2497 -0.2497 -0.1649 -0.1649 -0.1043 -0.1043 0.5341 0.5341 0.5669 0.5669 0.8317 0.8317 1.0300 1.0300 1.0997 1.0997 6.0594 6.0594 k = 0.3393 0.5000 0.7071 ( 4776 PWs) bands (ev): -12.7116 -12.7116 -12.6756 -12.6756 -12.6671 -12.6671 -11.5711 -11.5711 -6.9068 -6.9068 -6.7331 -6.7331 -5.2359 -5.2359 -5.2041 -5.2041 -4.7625 -4.7625 -3.1510 -3.1510 -2.0237 -2.0237 -1.9379 -1.9379 -0.9224 -0.9224 -0.2392 -0.2392 -0.1479 -0.1479 -0.0931 -0.0931 0.5443 0.5443 0.5731 0.5731 0.8510 0.8510 1.0393 1.0393 1.0975 1.0975 6.0328 6.0328 k = 0.3571 0.5000 0.7071 ( 4780 PWs) bands (ev): -12.7117 -12.7117 -12.6753 -12.6753 -12.6667 -12.6667 -11.5714 -11.5714 -6.9063 -6.9063 -6.7328 -6.7328 -5.2359 -5.2359 -5.2020 -5.2020 -4.7625 -4.7625 -3.1615 -3.1615 -2.0369 -2.0369 -1.9512 -1.9512 -0.9323 -0.9323 -0.2293 -0.2293 -0.1325 -0.1325 -0.0832 -0.0832 0.5545 0.5545 0.5790 0.5790 0.8676 0.8676 1.0482 1.0482 1.0960 1.0960 6.0083 6.0083 k = 0.3750 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7117 -12.7117 -12.6751 -12.6751 -12.6663 -12.6663 -11.5716 -11.5716 -6.9059 -6.9059 -6.7326 -6.7326 -5.2359 -5.2359 -5.2000 -5.2000 -4.7625 -4.7625 -3.1710 -3.1710 -2.0490 -2.0490 -1.9631 -1.9631 -0.9411 -0.9411 -0.2200 -0.2200 -0.1187 -0.1187 -0.0744 -0.0744 0.5644 0.5644 0.5845 0.5845 0.8814 0.8814 1.0566 1.0566 1.0953 1.0953 5.9859 5.9859 k = 0.3929 0.5000 0.7071 ( 4764 PWs) bands (ev): -12.7118 -12.7118 -12.6749 -12.6749 -12.6659 -12.6659 -11.5719 -11.5719 -6.9055 -6.9055 -6.7324 -6.7324 -5.2360 -5.2360 -5.1983 -5.1983 -4.7625 -4.7625 -3.1793 -3.1793 -2.0598 -2.0598 -1.9736 -1.9736 -0.9488 -0.9488 -0.2117 -0.2117 -0.1066 -0.1066 -0.0668 -0.0668 0.5736 0.5736 0.5895 0.5895 0.8925 0.8925 1.0640 1.0640 1.0955 1.0955 5.9661 5.9661 k = 0.4107 0.5000 0.7071 ( 4780 PWs) bands (ev): -12.7118 -12.7118 -12.6747 -12.6747 -12.6656 -12.6656 -11.5721 -11.5721 -6.9052 -6.9052 -6.7322 -6.7322 -5.2360 -5.2360 -5.1967 -5.1967 -4.7625 -4.7625 -3.1865 -3.1865 -2.0693 -2.0693 -1.9826 -1.9826 -0.9554 -0.9554 -0.2044 -0.2044 -0.0963 -0.0963 -0.0605 -0.0605 0.5819 0.5819 0.5942 0.5942 0.9009 0.9009 1.0701 1.0701 1.0966 1.0966 5.9488 5.9488 k = 0.4286 0.5000 0.7071 ( 4772 PWs) bands (ev): -12.7119 -12.7119 -12.6745 -12.6745 -12.6653 -12.6653 -11.5723 -11.5723 -6.9049 -6.9049 -6.7320 -6.7320 -5.2361 -5.2361 -5.1954 -5.1954 -4.7625 -4.7625 -3.1924 -3.1924 -2.0772 -2.0772 -1.9902 -1.9902 -0.9607 -0.9607 -0.1982 -0.1982 -0.0878 -0.0878 -0.0553 -0.0553 0.5888 0.5888 0.5984 0.5984 0.9071 0.9071 1.0750 1.0750 1.0985 1.0985 5.9345 5.9345 k = 0.4464 0.5000 0.7071 ( 4776 PWs) bands (ev): -12.7119 -12.7119 -12.6744 -12.6744 -12.6651 -12.6651 -11.5725 -11.5725 -6.9047 -6.9047 -6.7319 -6.7319 -5.2361 -5.2361 -5.1944 -5.1944 -4.7625 -4.7625 -3.1970 -3.1970 -2.0835 -2.0835 -1.9961 -1.9961 -0.9649 -0.9649 -0.1933 -0.1933 -0.0812 -0.0812 -0.0513 -0.0513 0.5939 0.5939 0.6024 0.6024 0.9113 0.9113 1.0784 1.0784 1.1008 1.1008 5.9232 5.9232 k = 0.4643 0.5000 0.7071 ( 4776 PWs) bands (ev): -12.7119 -12.7119 -12.6743 -12.6743 -12.6649 -12.6649 -11.5726 -11.5726 -6.9045 -6.9045 -6.7318 -6.7318 -5.2362 -5.2362 -5.1936 -5.1936 -4.7625 -4.7625 -3.2003 -3.2003 -2.0881 -2.0881 -2.0003 -2.0003 -0.9679 -0.9679 -0.1897 -0.1897 -0.0764 -0.0764 -0.0484 -0.0484 0.5972 0.5972 0.6058 0.6058 0.9140 0.9140 1.0807 1.0807 1.1029 1.1029 5.9151 5.9151 k = 0.4821 0.5000 0.7071 ( 4788 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9045 -6.9045 -6.7317 -6.7317 -5.2362 -5.2362 -5.1932 -5.1932 -4.7625 -4.7625 -3.2023 -3.2023 -2.0908 -2.0908 -2.0029 -2.0029 -0.9697 -0.9697 -0.1876 -0.1876 -0.0736 -0.0736 -0.0467 -0.0467 0.5991 0.5991 0.6081 0.6081 0.9155 0.9155 1.0819 1.0819 1.1043 1.1043 5.9101 5.9101 k = 0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k = 0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k = 0.4872 0.4872 0.7071 ( 4780 PWs) bands (ev): -12.7120 -12.7120 -12.6741 -12.6741 -12.6648 -12.6648 -11.5726 -11.5726 -6.9045 -6.9045 -6.7317 -6.7317 -5.2362 -5.2362 -5.1933 -5.1933 -4.7625 -4.7625 -3.2024 -3.2024 -2.0905 -2.0905 -2.0027 -2.0027 -0.9699 -0.9699 -0.1870 -0.1870 -0.0745 -0.0745 -0.0462 -0.0462 0.5990 0.5990 0.6080 0.6080 0.9155 0.9155 1.0818 1.0818 1.1044 1.1044 5.9095 5.9095 k = 0.4744 0.4744 0.7071 ( 4780 PWs) bands (ev): -12.7123 -12.7123 -12.6739 -12.6739 -12.6650 -12.6650 -11.5724 -11.5724 -6.9046 -6.9046 -6.7318 -6.7318 -5.2363 -5.2363 -5.1939 -5.1939 -4.7626 -4.7626 -3.2006 -3.2006 -2.0868 -2.0868 -1.9994 -1.9994 -0.9689 -0.9689 -0.1874 -0.1874 -0.0800 -0.0800 -0.0462 -0.0462 0.5968 0.5968 0.6053 0.6053 0.9142 0.9142 1.0801 1.0801 1.1029 1.1029 5.9128 5.9128 k = 0.4615 0.4615 0.7071 ( 4772 PWs) bands (ev): -12.7127 -12.7127 -12.6736 -12.6736 -12.6653 -12.6653 -11.5721 -11.5721 -6.9049 -6.9049 -6.7320 -6.7320 -5.2364 -5.2364 -5.1950 -5.1950 -4.7628 -4.7628 -3.1975 -3.1975 -2.0808 -2.0808 -1.9940 -1.9940 -0.9672 -0.9672 -0.1881 -0.1881 -0.0891 -0.0891 -0.0464 -0.0464 0.5923 0.5923 0.6017 0.6017 0.9120 0.9120 1.0773 1.0773 1.1004 1.1004 5.9182 5.9182 k = 0.4487 0.4487 0.7071 ( 4772 PWs) bands (ev): -12.7132 -12.7132 -12.6732 -12.6732 -12.6657 -12.6657 -11.5716 -11.5716 -6.9052 -6.9052 -6.7322 -6.7322 -5.2366 -5.2366 -5.1965 -5.1965 -4.7630 -4.7630 -3.1933 -3.1933 -2.0725 -2.0725 -1.9863 -1.9863 -0.9648 -0.9648 -0.1892 -0.1892 -0.1015 -0.1015 -0.0465 -0.0465 0.5850 0.5850 0.5980 0.5980 0.9089 0.9089 1.0734 1.0734 1.0969 1.0969 5.9257 5.9257 k = 0.4359 0.4359 0.7071 ( 4776 PWs) bands (ev): -12.7139 -12.7139 -12.6726 -12.6726 -12.6662 -12.6662 -11.5710 -11.5710 -6.9057 -6.9057 -6.7324 -6.7324 -5.2368 -5.2368 -5.1985 -5.1985 -4.7633 -4.7633 -3.1879 -3.1879 -2.0620 -2.0620 -1.9764 -1.9764 -0.9617 -0.9617 -0.1907 -0.1907 -0.1170 -0.1170 -0.0468 -0.0468 0.5751 0.5751 0.5939 0.5939 0.9048 0.9048 1.0684 1.0684 1.0924 1.0924 5.9352 5.9352 k = 0.4231 0.4231 0.7071 ( 4784 PWs) bands (ev): -12.7146 -12.7146 -12.6720 -12.6720 -12.6668 -12.6668 -11.5703 -11.5703 -6.9062 -6.9062 -6.7327 -6.7327 -5.2370 -5.2370 -5.2008 -5.2008 -4.7636 -4.7636 -3.1813 -3.1813 -2.0496 -2.0496 -1.9643 -1.9643 -0.9579 -0.9579 -0.1929 -0.1929 -0.1351 -0.1351 -0.0471 -0.0471 0.5629 0.5629 0.5894 0.5894 0.8995 0.8995 1.0623 1.0623 1.0868 1.0868 5.9468 5.9468 k = 0.4103 0.4103 0.7071 ( 4776 PWs) bands (ev): -12.7155 -12.7155 -12.6713 -12.6713 -12.6675 -12.6675 -11.5695 -11.5695 -6.9069 -6.9069 -6.7330 -6.7330 -5.2373 -5.2373 -5.2035 -5.2035 -4.7639 -4.7639 -3.1736 -3.1736 -2.0355 -2.0355 -1.9498 -1.9498 -0.9535 -0.9535 -0.1967 -0.1967 -0.1547 -0.1547 -0.0474 -0.0474 0.5489 0.5489 0.5841 0.5841 0.8932 0.8932 1.0552 1.0552 1.0802 1.0802 5.9605 5.9605 k = 0.3974 0.3974 0.7071 ( 4784 PWs) bands (ev): -12.7164 -12.7164 -12.6705 -12.6705 -12.6683 -12.6683 -11.5686 -11.5686 -6.9076 -6.9076 -6.7333 -6.7333 -5.2377 -5.2377 -5.2064 -5.2064 -4.7642 -4.7642 -3.1648 -3.1648 -2.0199 -2.0199 -1.9331 -1.9331 -0.9484 -0.9484 -0.2049 -0.2049 -0.1725 -0.1725 -0.0478 -0.0478 0.5333 0.5333 0.5781 0.5781 0.8857 0.8857 1.0471 1.0471 1.0725 1.0725 5.9760 5.9760 k = 0.3846 0.3846 0.7071 ( 4768 PWs) bands (ev): -12.7174 -12.7174 -12.6697 -12.6697 -12.6691 -12.6691 -11.5676 -11.5676 -6.9084 -6.9084 -6.7337 -6.7337 -5.2381 -5.2381 -5.2097 -5.2097 -4.7645 -4.7645 -3.1548 -3.1548 -2.0031 -2.0031 -1.9140 -1.9140 -0.9427 -0.9427 -0.2223 -0.2223 -0.1836 -0.1836 -0.0482 -0.0482 0.5163 0.5163 0.5712 0.5712 0.8770 0.8770 1.0380 1.0380 1.0637 1.0637 5.9934 5.9934 k = 0.3718 0.3718 0.7071 ( 4776 PWs) bands (ev): -12.7185 -12.7185 -12.6701 -12.6701 -12.6688 -12.6688 -11.5665 -11.5665 -6.9093 -6.9093 -6.7341 -6.7341 -5.2387 -5.2387 -5.2131 -5.2131 -4.7648 -4.7648 -3.1438 -3.1438 -1.9852 -1.9852 -1.8928 -1.8928 -0.9364 -0.9364 -0.2473 -0.2473 -0.1891 -0.1891 -0.0487 -0.0487 0.4982 0.4982 0.5635 0.5635 0.8671 0.8671 1.0280 1.0280 1.0538 1.0538 6.0125 6.0125 k = 0.3590 0.3590 0.7071 ( 4768 PWs) bands (ev): -12.7196 -12.7196 -12.6711 -12.6711 -12.6680 -12.6680 -11.5653 -11.5653 -6.9103 -6.9103 -6.7345 -6.7345 -5.2394 -5.2394 -5.2167 -5.2167 -4.7650 -4.7650 -3.1317 -3.1317 -1.9664 -1.9664 -1.8695 -1.8695 -0.9295 -0.9295 -0.2758 -0.2758 -0.1925 -0.1925 -0.0493 -0.0493 0.4792 0.4792 0.5550 0.5550 0.8561 0.8561 1.0171 1.0171 1.0428 1.0428 6.0332 6.0332 k = 0.3462 0.3462 0.7071 ( 4764 PWs) bands (ev): -12.7207 -12.7207 -12.6723 -12.6723 -12.6671 -12.6671 -11.5640 -11.5640 -6.9114 -6.9114 -6.7348 -6.7348 -5.2403 -5.2403 -5.2203 -5.2203 -4.7651 -4.7651 -3.1187 -3.1187 -1.9470 -1.9470 -1.8443 -1.8443 -0.9220 -0.9220 -0.3061 -0.3061 -0.1953 -0.1953 -0.0498 -0.0498 0.4595 0.4595 0.5455 0.5455 0.8439 0.8439 1.0054 1.0054 1.0307 1.0307 6.0556 6.0556 k = 0.3333 0.3333 0.7071 ( 4764 PWs) bands (ev): -12.7218 -12.7218 -12.6734 -12.6734 -12.6663 -12.6663 -11.5626 -11.5626 -6.9125 -6.9125 -6.7352 -6.7352 -5.2417 -5.2417 -5.2236 -5.2236 -4.7652 -4.7652 -3.1048 -3.1048 -1.9270 -1.9270 -1.8176 -1.8176 -0.9140 -0.9140 -0.3373 -0.3373 -0.1979 -0.1979 -0.0505 -0.0505 0.4393 0.4393 0.5351 0.5351 0.8306 0.8306 0.9928 0.9928 1.0176 1.0176 6.0792 6.0792 k = 0.3205 0.3205 0.7071 ( 4748 PWs) bands (ev): -12.7229 -12.7229 -12.6746 -12.6746 -12.6654 -12.6654 -11.5611 -11.5611 -6.9137 -6.9137 -6.7356 -6.7356 -5.2435 -5.2435 -5.2266 -5.2266 -4.7652 -4.7652 -3.0899 -3.0899 -1.9065 -1.9065 -1.7897 -1.7897 -0.9054 -0.9054 -0.3687 -0.3687 -0.2004 -0.2004 -0.0512 -0.0512 0.4188 0.4188 0.5238 0.5238 0.8162 0.8162 0.9795 0.9795 1.0035 1.0035 6.1042 6.1042 k = 0.3077 0.3077 0.7071 ( 4740 PWs) bands (ev): -12.7241 -12.7241 -12.6759 -12.6759 -12.6646 -12.6646 -11.5596 -11.5596 -6.9149 -6.9149 -6.7359 -6.7359 -5.2462 -5.2462 -5.2290 -5.2290 -4.7651 -4.7651 -3.0743 -3.0743 -1.8856 -1.8856 -1.7609 -1.7609 -0.8963 -0.8963 -0.3997 -0.3997 -0.2029 -0.2029 -0.0519 -0.0519 0.3981 0.3981 0.5116 0.5116 0.8009 0.8009 0.9655 0.9655 0.9885 0.9885 6.1303 6.1303 k = 0.2949 0.2949 0.7071 ( 4740 PWs) bands (ev): -12.7252 -12.7252 -12.6772 -12.6772 -12.6638 -12.6638 -11.5581 -11.5581 -6.9162 -6.9162 -6.7362 -6.7362 -5.2495 -5.2495 -5.2307 -5.2307 -4.7649 -4.7649 -3.0579 -3.0579 -1.8645 -1.8645 -1.7318 -1.7318 -0.8868 -0.8868 -0.4298 -0.4298 -0.2054 -0.2054 -0.0527 -0.0527 0.3774 0.3774 0.4984 0.4984 0.7845 0.7845 0.9507 0.9507 0.9729 0.9729 6.1572 6.1572 k = 0.2821 0.2821 0.7071 ( 4744 PWs) bands (ev): -12.7263 -12.7263 -12.6786 -12.6786 -12.6630 -12.6630 -11.5565 -11.5565 -6.9175 -6.9175 -6.7364 -6.7364 -5.2535 -5.2535 -5.2318 -5.2318 -4.7645 -4.7645 -3.0408 -3.0408 -1.8433 -1.8433 -1.7028 -1.7028 -0.8768 -0.8768 -0.4582 -0.4582 -0.2079 -0.2079 -0.0536 -0.0536 0.3570 0.3570 0.4842 0.4842 0.7672 0.7672 0.9352 0.9352 0.9567 0.9567 6.1849 6.1849 k = 0.2692 0.2692 0.7071 ( 4740 PWs) bands (ev): -12.7273 -12.7273 -12.6800 -12.6800 -12.6622 -12.6622 -11.5549 -11.5549 -6.9189 -6.9189 -6.7367 -6.7367 -5.2578 -5.2578 -5.2326 -5.2326 -4.7641 -4.7641 -3.0231 -3.0231 -1.8220 -1.8220 -1.6744 -1.6744 -0.8665 -0.8665 -0.4845 -0.4845 -0.2104 -0.2104 -0.0545 -0.0545 0.3369 0.3369 0.4690 0.4690 0.7491 0.7491 0.9190 0.9190 0.9402 0.9402 6.2131 6.2131 k = 0.2564 0.2564 0.7071 ( 4742 PWs) bands (ev): -12.7284 -12.7284 -12.6813 -12.6813 -12.6615 -12.6615 -11.5533 -11.5533 -6.9202 -6.9202 -6.7368 -6.7368 -5.2624 -5.2624 -5.2330 -5.2330 -4.7636 -4.7636 -3.0049 -3.0049 -1.8009 -1.8009 -1.6473 -1.6473 -0.8559 -0.8559 -0.5078 -0.5078 -0.2130 -0.2130 -0.0555 -0.0555 0.3173 0.3173 0.4528 0.4528 0.7301 0.7301 0.9022 0.9022 0.9236 0.9236 6.2417 6.2417 k = 0.2436 0.2436 0.7071 ( 4746 PWs) bands (ev): -12.7294 -12.7294 -12.6827 -12.6827 -12.6608 -12.6608 -11.5516 -11.5516 -6.9216 -6.9216 -6.7370 -6.7370 -5.2672 -5.2672 -5.2333 -5.2333 -4.7629 -4.7629 -2.9863 -2.9863 -1.7799 -1.7799 -1.6219 -1.6219 -0.8449 -0.8449 -0.5277 -0.5277 -0.2155 -0.2155 -0.0565 -0.0565 0.2984 0.2984 0.4356 0.4356 0.7103 0.7103 0.8846 0.8846 0.9071 0.9071 6.2704 6.2704 k = 0.2308 0.2308 0.7071 ( 4754 PWs) bands (ev): -12.7304 -12.7304 -12.6841 -12.6841 -12.6602 -12.6602 -11.5500 -11.5500 -6.9230 -6.9230 -6.7371 -6.7371 -5.2720 -5.2720 -5.2334 -5.2334 -4.7621 -4.7621 -2.9675 -2.9675 -1.7593 -1.7593 -1.5988 -1.5988 -0.8338 -0.8338 -0.5434 -0.5434 -0.2180 -0.2180 -0.0575 -0.0575 0.2804 0.2804 0.4173 0.4173 0.6897 0.6897 0.8666 0.8666 0.8908 0.8908 6.2991 6.2991 k = 0.2179 0.2179 0.7071 ( 4754 PWs) bands (ev): -12.7313 -12.7313 -12.6855 -12.6855 -12.6596 -12.6596 -11.5484 -11.5484 -6.9244 -6.9244 -6.7371 -6.7371 -5.2768 -5.2768 -5.2334 -5.2334 -4.7613 -4.7613 -2.9484 -2.9484 -1.7392 -1.7392 -1.5785 -1.5785 -0.8225 -0.8225 -0.5544 -0.5544 -0.2204 -0.2204 -0.0586 -0.0586 0.2633 0.2633 0.3980 0.3980 0.6685 0.6685 0.8482 0.8482 0.8749 0.8749 6.3274 6.3274 k = 0.2051 0.2051 0.7071 ( 4762 PWs) bands (ev): -12.7322 -12.7322 -12.6868 -12.6868 -12.6590 -12.6590 -11.5468 -11.5468 -6.9258 -6.9258 -6.7371 -6.7371 -5.2815 -5.2815 -5.2333 -5.2333 -4.7603 -4.7603 -2.9292 -2.9292 -1.7198 -1.7198 -1.5615 -1.5615 -0.8111 -0.8111 -0.5603 -0.5603 -0.2229 -0.2229 -0.0598 -0.0598 0.2474 0.2474 0.3775 0.3775 0.6466 0.6466 0.8297 0.8297 0.8595 0.8595 6.3553 6.3553 k = 0.1923 0.1923 0.7071 ( 4746 PWs) bands (ev): -12.7330 -12.7330 -12.6881 -12.6881 -12.6585 -12.6585 -11.5452 -11.5452 -6.9272 -6.9272 -6.7371 -6.7371 -5.2861 -5.2861 -5.2331 -5.2331 -4.7593 -4.7593 -2.9101 -2.9101 -1.7012 -1.7012 -1.5479 -1.5479 -0.7996 -0.7996 -0.5607 -0.5607 -0.2252 -0.2252 -0.0610 -0.0610 0.2329 0.2329 0.3560 0.3560 0.6241 0.6241 0.8114 0.8114 0.8445 0.8445 6.3826 6.3826 k = 0.1795 0.1795 0.7071 ( 4748 PWs) bands (ev): -12.7338 -12.7338 -12.6894 -12.6894 -12.6580 -12.6580 -11.5437 -11.5437 -6.9285 -6.9285 -6.7370 -6.7370 -5.2906 -5.2906 -5.2329 -5.2329 -4.7582 -4.7582 -2.8913 -2.8913 -1.6836 -1.6836 -1.5378 -1.5378 -0.7883 -0.7883 -0.5554 -0.5554 -0.2275 -0.2275 -0.0622 -0.0622 0.2197 0.2197 0.3333 0.3333 0.6011 0.6011 0.7933 0.7933 0.8300 0.8300 6.4090 6.4090 k = 0.1667 0.1667 0.7071 ( 4736 PWs) bands (ev): -12.7345 -12.7345 -12.6906 -12.6906 -12.6576 -12.6576 -11.5423 -11.5423 -6.9298 -6.9298 -6.7369 -6.7369 -5.2948 -5.2948 -5.2326 -5.2326 -4.7571 -4.7571 -2.8727 -2.8727 -1.6672 -1.6672 -1.5311 -1.5311 -0.7771 -0.7771 -0.5447 -0.5447 -0.2296 -0.2296 -0.0634 -0.0634 0.2080 0.2080 0.3095 0.3095 0.5778 0.5778 0.7758 0.7758 0.8161 0.8161 6.4343 6.4343 k = 0.1538 0.1538 0.7071 ( 4756 PWs) bands (ev): -12.7352 -12.7352 -12.6918 -12.6918 -12.6572 -12.6572 -11.5409 -11.5409 -6.9310 -6.9310 -6.7367 -6.7367 -5.2989 -5.2989 -5.2323 -5.2323 -4.7560 -4.7560 -2.8547 -2.8547 -1.6521 -1.6521 -1.5273 -1.5273 -0.7662 -0.7662 -0.5288 -0.5288 -0.2317 -0.2317 -0.0647 -0.0647 0.1980 0.1980 0.2845 0.2845 0.5541 0.5541 0.7590 0.7590 0.8029 0.8029 6.4583 6.4583 k = 0.1410 0.1410 0.7071 ( 4750 PWs) bands (ev): -12.7359 -12.7359 -12.6929 -12.6929 -12.6568 -12.6568 -11.5396 -11.5396 -6.9322 -6.9322 -6.7366 -6.7366 -5.3027 -5.3027 -5.2319 -5.2319 -4.7548 -4.7548 -2.8372 -2.8372 -1.6386 -1.6386 -1.5260 -1.5260 -0.7556 -0.7556 -0.5081 -0.5081 -0.2336 -0.2336 -0.0660 -0.0660 0.1896 0.1896 0.2584 0.2584 0.5304 0.5304 0.7430 0.7430 0.7904 0.7904 6.4810 6.4810 k = 0.1282 0.1282 0.7071 ( 4756 PWs) bands (ev): -12.7365 -12.7365 -12.6940 -12.6940 -12.6565 -12.6565 -11.5383 -11.5383 -6.9333 -6.9333 -6.7364 -6.7364 -5.3063 -5.3063 -5.2316 -5.2316 -4.7537 -4.7537 -2.8206 -2.8206 -1.6270 -1.6270 -1.5264 -1.5264 -0.7455 -0.7455 -0.4832 -0.4832 -0.2354 -0.2354 -0.0672 -0.0672 0.1829 0.1829 0.2313 0.2313 0.5067 0.5067 0.7280 0.7280 0.7788 0.7788 6.5022 6.5022 k = 0.1154 0.1154 0.7071 ( 4748 PWs) bands (ev): -12.7370 -12.7370 -12.6949 -12.6949 -12.6562 -12.6562 -11.5372 -11.5372 -6.9343 -6.9343 -6.7362 -6.7362 -5.3096 -5.3096 -5.2312 -5.2312 -4.7526 -4.7526 -2.8050 -2.8050 -1.6174 -1.6174 -1.5276 -1.5276 -0.7359 -0.7359 -0.4548 -0.4548 -0.2369 -0.2369 -0.0685 -0.0685 0.1773 0.1773 0.2037 0.2037 0.4833 0.4833 0.7140 0.7140 0.7680 0.7680 6.5217 6.5217 k = 0.1026 0.1026 0.7071 ( 4746 PWs) bands (ev): -12.7375 -12.7375 -12.6958 -12.6958 -12.6559 -12.6559 -11.5362 -11.5362 -6.9352 -6.9352 -6.7361 -6.7361 -5.3126 -5.3126 -5.2309 -5.2309 -4.7515 -4.7515 -2.7904 -2.7904 -1.6103 -1.6103 -1.5290 -1.5290 -0.7270 -0.7270 -0.4236 -0.4236 -0.2382 -0.2382 -0.0697 -0.0697 0.1673 0.1673 0.1812 0.1812 0.4605 0.4605 0.7013 0.7013 0.7582 0.7582 6.5395 6.5395 k = 0.0897 0.0897 0.7071 ( 4750 PWs) bands (ev): -12.7379 -12.7379 -12.6966 -12.6966 -12.6557 -12.6557 -11.5352 -11.5352 -6.9361 -6.9361 -6.7359 -6.7359 -5.3153 -5.3153 -5.2306 -5.2306 -4.7506 -4.7506 -2.7772 -2.7772 -1.6057 -1.6057 -1.5298 -1.5298 -0.7189 -0.7189 -0.3903 -0.3903 -0.2390 -0.2390 -0.0709 -0.0709 0.1401 0.1401 0.1764 0.1764 0.4384 0.4384 0.6898 0.6898 0.7495 0.7495 6.5554 6.5554 k = 0.0769 0.0769 0.7071 ( 4758 PWs) bands (ev): -12.7383 -12.7383 -12.6973 -12.6973 -12.6555 -12.6555 -11.5344 -11.5344 -6.9368 -6.9368 -6.7357 -6.7357 -5.3176 -5.3176 -5.2303 -5.2303 -4.7497 -4.7497 -2.7653 -2.7653 -1.6035 -1.6035 -1.5296 -1.5296 -0.7116 -0.7116 -0.3557 -0.3557 -0.2393 -0.2393 -0.0720 -0.0720 0.1089 0.1089 0.1762 0.1762 0.4175 0.4175 0.6796 0.6796 0.7418 0.7418 6.5692 6.5692 k = 0.0641 0.0641 0.7071 ( 4758 PWs) bands (ev): -12.7386 -12.7386 -12.6978 -12.6978 -12.6553 -12.6553 -11.5337 -11.5337 -6.9375 -6.9375 -6.7356 -6.7356 -5.3196 -5.3196 -5.2300 -5.2300 -4.7489 -4.7489 -2.7550 -2.7550 -1.6034 -1.6034 -1.5286 -1.5286 -0.7052 -0.7052 -0.3211 -0.3211 -0.2383 -0.2383 -0.0730 -0.0730 0.0764 0.0764 0.1778 0.1778 0.3981 0.3981 0.6709 0.6709 0.7352 0.7352 6.5811 6.5811 k = 0.0513 0.0513 0.7071 ( 4758 PWs) bands (ev): -12.7388 -12.7388 -12.6983 -12.6983 -12.6552 -12.6552 -11.5331 -11.5331 -6.9380 -6.9380 -6.7354 -6.7354 -5.3213 -5.3213 -5.2298 -5.2298 -4.7482 -4.7482 -2.7464 -2.7464 -1.6044 -1.6044 -1.5270 -1.5270 -0.6999 -0.6999 -0.2893 -0.2893 -0.2338 -0.2338 -0.0740 -0.0740 0.0432 0.0432 0.1804 0.1804 0.3808 0.3808 0.6637 0.6637 0.7297 0.7297 6.5909 6.5909 k = 0.0385 0.0385 0.7071 ( 4756 PWs) bands (ev): -12.7390 -12.7390 -12.6987 -12.6987 -12.6551 -12.6551 -11.5326 -11.5326 -6.9384 -6.9384 -6.7353 -6.7353 -5.3226 -5.3226 -5.2296 -5.2296 -4.7477 -4.7477 -2.7396 -2.7396 -1.6060 -1.6060 -1.5253 -1.5253 -0.6957 -0.6957 -0.2671 -0.2671 -0.2197 -0.2197 -0.0749 -0.0749 0.0098 0.0098 0.1836 0.1836 0.3660 0.3660 0.6580 0.6580 0.7255 0.7255 6.5986 6.5986 k = 0.0256 0.0256 0.7071 ( 4744 PWs) bands (ev): -12.7392 -12.7392 -12.6990 -12.6990 -12.6550 -12.6550 -11.5323 -11.5323 -6.9387 -6.9387 -6.7352 -6.7352 -5.3235 -5.3235 -5.2295 -5.2295 -4.7473 -4.7473 -2.7347 -2.7347 -1.6076 -1.6076 -1.5239 -1.5239 -0.6926 -0.6926 -0.2583 -0.2583 -0.1935 -0.1935 -0.0762 -0.0762 -0.0224 -0.0224 0.1867 0.1867 0.3546 0.3546 0.6539 0.6539 0.7225 0.7225 6.6042 6.6042 k = 0.0128 0.0128 0.7071 ( 4732 PWs) bands (ev): -12.7393 -12.7393 -12.6991 -12.6991 -12.6550 -12.6550 -11.5321 -11.5321 -6.9389 -6.9389 -6.7352 -6.7352 -5.3241 -5.3241 -5.2294 -5.2294 -4.7471 -4.7471 -2.7317 -2.7317 -1.6086 -1.6086 -1.5229 -1.5229 -0.6908 -0.6908 -0.2556 -0.2556 -0.1656 -0.1656 -0.0790 -0.0790 -0.0493 -0.0493 0.1890 0.1890 0.3473 0.3473 0.6515 0.6515 0.7206 0.7206 6.6076 6.6076 k = 0.0000 0.0000 0.7071 ( 4712 PWs) bands (ev): -12.7393 -12.7393 -12.6992 -12.6992 -12.6549 -12.6549 -11.5320 -11.5320 -6.9389 -6.9389 -6.7352 -6.7352 -5.3243 -5.3243 -5.2293 -5.2293 -4.7470 -4.7470 -2.7307 -2.7307 -1.6090 -1.6090 -1.5226 -1.5226 -0.6901 -0.6901 -0.2550 -0.2550 -0.1514 -0.1514 -0.0831 -0.0831 -0.0597 -0.0597 0.1899 0.1899 0.3448 0.3448 0.6507 0.6507 0.7201 0.7201 6.6087 6.6087 k = 0.0000 0.0000 0.7071 ( 4712 PWs) bands (ev): -12.7393 -12.7393 -12.6992 -12.6992 -12.6549 -12.6549 -11.5320 -11.5320 -6.9389 -6.9389 -6.7352 -6.7352 -5.3243 -5.3243 -5.2293 -5.2293 -4.7470 -4.7470 -2.7307 -2.7307 -1.6090 -1.6090 -1.5226 -1.5226 -0.6901 -0.6901 -0.2550 -0.2550 -0.1514 -0.1514 -0.0831 -0.0831 -0.0597 -0.0597 0.1899 0.1899 0.3448 0.3448 0.6507 0.6507 0.7201 0.7201 6.6087 6.6087 k = 0.0000 0.0000 0.6890 ( 4732 PWs) bands (ev): -12.7434 -12.7434 -12.6953 -12.6953 -12.6550 -12.6550 -11.5321 -11.5321 -6.9388 -6.9388 -6.7353 -6.7353 -5.3240 -5.3240 -5.2294 -5.2294 -4.7474 -4.7474 -2.7319 -2.7319 -1.6081 -1.6081 -1.5211 -1.5211 -0.6907 -0.6907 -0.2584 -0.2584 -0.1521 -0.1521 -0.0833 -0.0833 -0.0562 -0.0562 0.1918 0.1918 0.3461 0.3461 0.6514 0.6514 0.7207 0.7207 6.6057 6.6057 k = 0.0000 0.0000 0.6708 ( 4748 PWs) bands (ev): -12.7530 -12.7530 -12.6866 -12.6866 -12.6551 -12.6551 -11.5323 -11.5323 -6.9384 -6.9384 -6.7358 -6.7358 -5.3231 -5.3231 -5.2297 -5.2297 -4.7486 -4.7486 -2.7356 -2.7356 -1.6054 -1.6054 -1.5167 -1.5167 -0.6925 -0.6925 -0.2680 -0.2680 -0.1548 -0.1548 -0.0830 -0.0830 -0.0468 -0.0468 0.1975 0.1975 0.3497 0.3497 0.6536 0.6536 0.7225 0.7225 6.5966 6.5966 k = 0.0000 0.0000 0.6527 ( 4756 PWs) bands (ev): -12.7649 -12.7649 -12.6760 -12.6760 -12.6552 -12.6552 -11.5327 -11.5327 -6.9378 -6.9378 -6.7365 -6.7365 -5.3218 -5.3218 -5.2301 -5.2301 -4.7505 -4.7505 -2.7417 -2.7417 -1.6009 -1.6009 -1.5093 -1.5093 -0.6955 -0.6955 -0.2823 -0.2823 -0.1600 -0.1600 -0.0811 -0.0811 -0.0334 -0.0334 0.2070 0.2070 0.3555 0.3555 0.6573 0.6573 0.7256 0.7256 6.5819 6.5819 k = 0.0000 0.0000 0.6346 ( 4764 PWs) bands (ev): -12.7778 -12.7778 -12.6649 -12.6649 -12.6554 -12.6554 -11.5331 -11.5331 -6.9369 -6.9369 -6.7376 -6.7376 -5.3198 -5.3198 -5.2306 -5.2306 -4.7532 -4.7532 -2.7500 -2.7500 -1.5948 -1.5948 -1.4991 -1.4991 -0.6995 -0.6995 -0.2998 -0.2998 -0.1680 -0.1680 -0.0773 -0.0773 -0.0172 -0.0172 0.2200 0.2200 0.3633 0.3633 0.6625 0.6625 0.7299 0.7299 6.5620 6.5620 k = 0.0000 0.0000 0.6165 ( 4764 PWs) bands (ev): -12.7913 -12.7913 -12.6557 -12.6557 -12.6536 -12.6536 -11.5337 -11.5337 -6.9358 -6.9358 -6.7390 -6.7390 -5.3174 -5.3174 -5.2313 -5.2313 -4.7567 -4.7567 -2.7604 -2.7604 -1.5870 -1.5870 -1.4860 -1.4860 -0.7046 -0.7046 -0.3195 -0.3195 -0.1784 -0.1784 -0.0714 -0.0714 0.0008 0.0008 0.2364 0.2364 0.3728 0.3728 0.6690 0.6690 0.7354 0.7354 6.5373 6.5373 k = 0.0000 0.0000 0.5983 ( 4768 PWs) bands (ev): -12.8051 -12.8051 -12.6559 -12.6559 -12.6426 -12.6426 -11.5345 -11.5345 -6.9344 -6.9344 -6.7406 -6.7406 -5.3144 -5.3144 -5.2321 -5.2321 -4.7608 -4.7608 -2.7727 -2.7727 -1.5778 -1.5778 -1.4704 -1.4704 -0.7107 -0.7107 -0.3407 -0.3407 -0.1911 -0.1911 -0.0635 -0.0635 0.0200 0.0200 0.2559 0.2559 0.3837 0.3837 0.6768 0.6768 0.7421 0.7421 6.5082 6.5082 k = 0.0000 0.0000 0.5802 ( 4768 PWs) bands (ev): -12.8191 -12.8191 -12.6562 -12.6562 -12.6318 -12.6318 -11.5353 -11.5353 -6.9328 -6.9328 -6.7425 -6.7425 -5.3109 -5.3109 -5.2330 -5.2330 -4.7657 -4.7657 -2.7866 -2.7866 -1.5672 -1.5672 -1.4522 -1.4522 -0.7177 -0.7177 -0.3627 -0.3627 -0.2053 -0.2053 -0.0538 -0.0538 0.0398 0.0398 0.2783 0.2783 0.3958 0.3958 0.6859 0.6859 0.7500 0.7500 6.4753 6.4753 k = 0.0000 0.0000 0.5621 ( 4756 PWs) bands (ev): -12.8333 -12.8333 -12.6565 -12.6565 -12.6213 -12.6213 -11.5363 -11.5363 -6.9310 -6.9310 -6.7447 -6.7447 -5.3071 -5.3071 -5.2340 -5.2340 -4.7711 -4.7711 -2.8020 -2.8020 -1.5553 -1.5553 -1.4316 -1.4316 -0.7255 -0.7255 -0.3852 -0.3852 -0.2208 -0.2208 -0.0424 -0.0424 0.0599 0.0599 0.3030 0.3030 0.4087 0.4087 0.6961 0.6961 0.7590 0.7590 6.4391 6.4391 k = 0.0000 0.0000 0.5439 ( 4756 PWs) bands (ev): -12.8476 -12.8476 -12.6569 -12.6569 -12.6111 -12.6111 -11.5374 -11.5374 -6.9291 -6.9291 -6.7471 -6.7471 -5.3028 -5.3028 -5.2351 -5.2351 -4.7771 -4.7771 -2.8185 -2.8185 -1.5423 -1.5423 -1.4089 -1.4089 -0.7341 -0.7341 -0.4081 -0.4081 -0.2371 -0.2371 -0.0292 -0.0292 0.0801 0.0801 0.3299 0.3299 0.4224 0.4224 0.7075 0.7075 0.7690 0.7690 6.4001 6.4001 k = 0.0000 0.0000 0.5258 ( 4748 PWs) bands (ev): -12.8619 -12.8619 -12.6574 -12.6574 -12.6013 -12.6013 -11.5386 -11.5386 -6.9270 -6.9270 -6.7498 -6.7498 -5.2981 -5.2981 -5.2362 -5.2362 -4.7837 -4.7837 -2.8360 -2.8360 -1.5283 -1.5283 -1.3843 -1.3843 -0.7432 -0.7432 -0.4311 -0.4311 -0.2537 -0.2537 -0.0144 -0.0144 0.1003 0.1003 0.3583 0.3583 0.4367 0.4367 0.7198 0.7198 0.7800 0.7800 6.3585 6.3585 k = 0.0000 0.0000 0.5077 ( 4744 PWs) bands (ev): -12.8762 -12.8762 -12.6579 -12.6579 -12.5918 -12.5918 -11.5399 -11.5399 -6.9247 -6.9247 -6.7527 -6.7527 -5.2932 -5.2932 -5.2374 -5.2374 -4.7907 -4.7907 -2.8541 -2.8541 -1.5134 -1.5134 -1.3580 -1.3580 -0.7530 -0.7530 -0.4541 -0.4541 -0.2704 -0.2704 0.0019 0.0019 0.1203 0.1203 0.3877 0.3877 0.4516 0.4516 0.7332 0.7332 0.7919 0.7919 6.3148 6.3148 k = 0.0000 0.0000 0.4895 ( 4760 PWs) bands (ev): -12.8905 -12.8905 -12.6584 -12.6584 -12.5827 -12.5827 -11.5413 -11.5413 -6.9223 -6.9223 -6.7558 -6.7558 -5.2880 -5.2880 -5.2385 -5.2385 -4.7981 -4.7981 -2.8727 -2.8727 -1.4977 -1.4977 -1.3304 -1.3304 -0.7632 -0.7632 -0.4770 -0.4770 -0.2867 -0.2867 0.0198 0.0198 0.1400 0.1400 0.4173 0.4173 0.4674 0.4674 0.7473 0.7473 0.8047 0.8047 6.2694 6.2694 k = 0.0000 0.0000 0.4714 ( 4744 PWs) bands (ev): -12.9046 -12.9046 -12.6589 -12.6589 -12.5740 -12.5740 -11.5427 -11.5427 -6.9198 -6.9198 -6.7591 -6.7591 -5.2826 -5.2826 -5.2397 -5.2397 -4.8059 -4.8059 -2.8917 -2.8917 -1.4812 -1.4812 -1.3017 -1.3017 -0.7737 -0.7737 -0.4997 -0.4997 -0.3022 -0.3022 0.0391 0.0391 0.1593 0.1593 0.4456 0.4456 0.4854 0.4854 0.7623 0.7623 0.8182 0.8182 6.2225 6.2225 k = 0.0000 0.0000 0.4533 ( 4744 PWs) bands (ev): -12.9186 -12.9186 -12.6595 -12.6595 -12.5657 -12.5657 -11.5442 -11.5442 -6.9172 -6.9172 -6.7626 -6.7626 -5.2771 -5.2771 -5.2407 -5.2407 -4.8139 -4.8139 -2.9107 -2.9107 -1.4642 -1.4642 -1.2725 -1.2725 -0.7845 -0.7845 -0.5220 -0.5220 -0.3165 -0.3165 0.0599 0.0599 0.1782 0.1782 0.4700 0.4700 0.5072 0.5072 0.7781 0.7781 0.8324 0.8324 6.1744 6.1744 k = 0.0000 0.0000 0.4351 ( 4756 PWs) bands (ev): -12.9325 -12.9325 -12.6600 -12.6600 -12.5578 -12.5578 -11.5458 -11.5458 -6.9146 -6.9146 -6.7662 -6.7662 -5.2717 -5.2717 -5.2416 -5.2416 -4.8222 -4.8222 -2.9296 -2.9296 -1.4466 -1.4466 -1.2430 -1.2430 -0.7954 -0.7954 -0.5441 -0.5441 -0.3294 -0.3294 0.0819 0.0819 0.1967 0.1967 0.4894 0.4894 0.5339 0.5339 0.7945 0.7945 0.8472 0.8472 6.1254 6.1254 k = 0.0000 0.0000 0.4170 ( 4768 PWs) bands (ev): -12.9461 -12.9461 -12.6607 -12.6607 -12.5502 -12.5502 -11.5474 -11.5474 -6.9119 -6.9119 -6.7699 -6.7699 -5.2664 -5.2664 -5.2422 -5.2422 -4.8306 -4.8306 -2.9483 -2.9483 -1.4285 -1.4285 -1.2138 -1.2138 -0.8065 -0.8065 -0.5656 -0.5656 -0.3404 -0.3404 0.1051 0.1051 0.2145 0.2145 0.5053 0.5053 0.5633 0.5633 0.8115 0.8115 0.8623 0.8623 6.0758 6.0758 k = 0.0000 0.0000 0.3989 ( 4772 PWs) bands (ev): -12.9594 -12.9594 -12.6613 -12.6613 -12.5431 -12.5431 -11.5491 -11.5491 -6.9093 -6.9093 -6.7737 -6.7737 -5.2616 -5.2616 -5.2422 -5.2422 -4.8391 -4.8391 -2.9666 -2.9666 -1.4101 -1.4101 -1.1854 -1.1854 -0.8176 -0.8176 -0.5867 -0.5867 -0.3490 -0.3490 0.1295 0.1295 0.2318 0.2318 0.5192 0.5192 0.5936 0.5936 0.8290 0.8290 0.8779 0.8779 6.0259 6.0259 k = 0.0000 0.0000 0.3807 ( 4769 PWs) bands (ev): -12.9725 -12.9725 -12.6619 -12.6619 -12.5363 -12.5363 -11.5507 -11.5507 -6.9066 -6.9066 -6.7776 -6.7776 -5.2578 -5.2578 -5.2413 -5.2413 -4.8475 -4.8475 -2.9844 -2.9844 -1.3915 -1.3915 -1.1582 -1.1582 -0.8286 -0.8286 -0.6072 -0.6072 -0.3549 -0.3549 0.1549 0.1549 0.2485 0.2485 0.5321 0.5321 0.6236 0.6236 0.8470 0.8470 0.8937 0.8937 5.9759 5.9759 k = 0.0000 0.0000 0.3626 ( 4769 PWs) bands (ev): -12.9852 -12.9852 -12.6625 -12.6625 -12.5299 -12.5299 -11.5524 -11.5524 -6.9039 -6.9039 -6.7815 -6.7815 -5.2555 -5.2555 -5.2389 -5.2389 -4.8559 -4.8559 -3.0017 -3.0017 -1.3727 -1.3727 -1.1328 -1.1328 -0.8394 -0.8394 -0.6272 -0.6272 -0.3578 -0.3578 0.1813 0.1813 0.2646 0.2646 0.5440 0.5440 0.6527 0.6527 0.8651 0.8651 0.9096 0.9096 5.9262 5.9262 k = 0.0000 0.0000 0.3445 ( 4777 PWs) bands (ev): -12.9975 -12.9975 -12.6632 -12.6632 -12.5239 -12.5239 -11.5541 -11.5541 -6.9013 -6.9013 -6.7854 -6.7854 -5.2546 -5.2546 -5.2353 -5.2353 -4.8642 -4.8642 -3.0183 -3.0183 -1.3538 -1.3538 -1.1095 -1.1095 -0.8501 -0.8501 -0.6465 -0.6465 -0.3572 -0.3572 0.2085 0.2085 0.2799 0.2799 0.5552 0.5552 0.6807 0.6807 0.8834 0.8834 0.9256 0.9256 5.8768 5.8768 k = 0.0000 0.0000 0.3264 ( 4769 PWs) bands (ev): -13.0095 -13.0095 -12.6638 -12.6638 -12.5183 -12.5183 -11.5558 -11.5558 -6.8988 -6.8988 -6.7893 -6.7893 -5.2545 -5.2545 -5.2309 -5.2309 -4.8722 -4.8722 -3.0341 -3.0341 -1.3350 -1.3350 -1.0887 -1.0887 -0.8605 -0.8605 -0.6651 -0.6651 -0.3530 -0.3530 0.2364 0.2364 0.2947 0.2947 0.5658 0.5658 0.7071 0.7071 0.9015 0.9015 0.9416 0.9416 5.8282 5.8282 k = 0.0000 0.0000 0.3082 ( 4773 PWs) bands (ev): -13.0210 -13.0210 -12.6644 -12.6644 -12.5130 -12.5130 -11.5575 -11.5575 -6.8963 -6.8963 -6.7932 -6.7932 -5.2548 -5.2548 -5.2263 -5.2263 -4.8799 -4.8799 -3.0492 -3.0492 -1.3165 -1.3165 -1.0708 -1.0708 -0.8707 -0.8707 -0.6830 -0.6830 -0.3451 -0.3451 0.2648 0.2648 0.3087 0.3087 0.5757 0.5757 0.7320 0.7320 0.9193 0.9193 0.9573 0.9573 5.7805 5.7805 k = 0.0000 0.0000 0.2901 ( 4761 PWs) bands (ev): -13.0320 -13.0320 -12.6651 -12.6651 -12.5080 -12.5080 -11.5591 -11.5591 -6.8940 -6.8940 -6.7970 -6.7970 -5.2553 -5.2553 -5.2217 -5.2217 -4.8874 -4.8874 -3.0635 -3.0635 -1.2982 -1.2982 -1.0557 -1.0557 -0.8805 -0.8805 -0.7002 -0.7002 -0.3336 -0.3336 0.2937 0.2937 0.3222 0.3222 0.5851 0.5851 0.7551 0.7551 0.9366 0.9366 0.9728 0.9728 5.7340 5.7340 k = 0.0000 0.0000 0.2720 ( 4761 PWs) bands (ev): -13.0426 -13.0426 -12.6657 -12.6657 -12.5035 -12.5035 -11.5607 -11.5607 -6.8917 -6.8917 -6.8007 -6.8007 -5.2558 -5.2558 -5.2173 -5.2173 -4.8944 -4.8944 -3.0769 -3.0769 -1.2805 -1.2805 -1.0433 -1.0433 -0.8899 -0.8899 -0.7165 -0.7165 -0.3188 -0.3188 0.3220 0.3220 0.3358 0.3358 0.5938 0.5938 0.7765 0.7765 0.9531 0.9531 0.9877 0.9877 5.6890 5.6890 k = 0.0000 0.0000 0.2538 ( 4769 PWs) bands (ev): -13.0526 -13.0526 -12.6663 -12.6663 -12.4992 -12.4992 -11.5623 -11.5623 -6.8896 -6.8896 -6.8043 -6.8043 -5.2564 -5.2564 -5.2132 -5.2132 -4.9010 -4.9010 -3.0894 -3.0894 -1.2634 -1.2634 -1.0336 -1.0336 -0.8989 -0.8989 -0.7320 -0.7320 -0.3010 -0.3010 0.3432 0.3432 0.3560 0.3560 0.6019 0.6019 0.7960 0.7960 0.9688 0.9688 1.0020 1.0020 5.6457 5.6457 k = 0.0000 0.0000 0.2357 ( 4785 PWs) bands (ev): -13.0620 -13.0620 -12.6668 -12.6668 -12.4954 -12.4954 -11.5638 -11.5638 -6.8876 -6.8876 -6.8077 -6.8077 -5.2570 -5.2570 -5.2094 -5.2094 -4.9071 -4.9071 -3.1011 -3.1011 -1.2472 -1.2472 -1.0260 -1.0260 -0.9075 -0.9075 -0.7465 -0.7465 -0.2808 -0.2808 0.3555 0.3555 0.3844 0.3844 0.6095 0.6095 0.8138 0.8138 0.9834 0.9834 1.0155 1.0155 5.6043 5.6043 k = 0.0000 0.0000 0.2176 ( 4785 PWs) bands (ev): -13.0709 -13.0709 -12.6674 -12.6674 -12.4918 -12.4918 -11.5652 -11.5652 -6.8858 -6.8858 -6.8109 -6.8109 -5.2575 -5.2575 -5.2060 -5.2060 -4.9127 -4.9127 -3.1118 -3.1118 -1.2320 -1.2320 -1.0203 -1.0203 -0.9156 -0.9156 -0.7602 -0.7602 -0.2588 -0.2588 0.3660 0.3660 0.4137 0.4137 0.6165 0.6165 0.8297 0.8297 0.9971 0.9971 1.0279 1.0279 5.5651 5.5651 k = 0.0000 0.0000 0.1994 ( 4781 PWs) bands (ev): -13.0792 -13.0792 -12.6679 -12.6679 -12.4885 -12.4885 -11.5666 -11.5666 -6.8841 -6.8841 -6.8139 -6.8139 -5.2580 -5.2580 -5.2030 -5.2030 -4.9179 -4.9179 -3.1217 -3.1217 -1.2179 -1.2179 -1.0159 -1.0159 -0.9233 -0.9233 -0.7729 -0.7729 -0.2357 -0.2357 0.3755 0.3755 0.4429 0.4429 0.6230 0.6230 0.8438 0.8438 1.0096 1.0096 1.0392 1.0392 5.5283 5.5283 k = 0.0000 0.0000 0.1813 ( 4789 PWs) bands (ev): -13.0868 -13.0868 -12.6684 -12.6684 -12.4856 -12.4856 -11.5678 -11.5678 -6.8827 -6.8827 -6.8168 -6.8167 -5.2584 -5.2584 -5.2003 -5.2003 -4.9224 -4.9224 -3.1306 -3.1306 -1.2052 -1.2052 -1.0125 -1.0125 -0.9305 -0.9305 -0.7846 -0.7846 -0.2121 -0.2121 0.3841 0.3841 0.4716 0.4716 0.6290 0.6290 0.8560 0.8560 1.0209 1.0209 1.0494 1.0494 5.4940 5.4940 k = 0.0000 0.0000 0.1632 ( 4773 PWs) bands (ev): -13.0937 -13.0937 -12.6688 -12.6688 -12.4829 -12.4829 -11.5690 -11.5690 -6.8813 -6.8813 -6.8193 -6.8193 -5.2588 -5.2588 -5.1980 -5.1980 -4.9265 -4.9265 -3.1387 -3.1387 -1.1940 -1.1940 -1.0096 -1.0096 -0.9371 -0.9371 -0.7952 -0.7952 -0.1887 -0.1887 0.3918 0.3918 0.4995 0.4995 0.6345 0.6345 0.8663 0.8663 1.0310 1.0310 1.0583 1.0583 5.4625 5.4625 k = 0.0000 0.0000 0.1450 ( 4777 PWs) bands (ev): -13.1000 -13.1000 -12.6693 -12.6693 -12.4806 -12.4806 -11.5700 -11.5700 -6.8802 -6.8802 -6.8216 -6.8216 -5.2591 -5.2591 -5.1961 -5.1961 -4.9301 -4.9301 -3.1458 -3.1458 -1.1842 -1.1842 -1.0070 -1.0070 -0.9433 -0.9433 -0.8048 -0.8048 -0.1660 -0.1660 0.3988 0.3988 0.5263 0.5263 0.6397 0.6397 0.8746 0.8746 1.0398 1.0398 1.0661 1.0661 5.4339 5.4339 k = 0.0000 0.0000 0.1269 ( 4769 PWs) bands (ev): -13.1056 -13.1056 -12.6696 -12.6696 -12.4785 -12.4785 -11.5710 -11.5710 -6.8792 -6.8792 -6.8237 -6.8237 -5.2594 -5.2594 -5.1945 -5.1945 -4.9331 -4.9331 -3.1521 -3.1521 -1.1761 -1.1761 -1.0044 -1.0044 -0.9489 -0.9489 -0.8133 -0.8133 -0.1447 -0.1447 0.4049 0.4049 0.5514 0.5514 0.6446 0.6446 0.8811 0.8811 1.0474 1.0474 1.0728 1.0728 5.4084 5.4084 k = 0.0000 0.0000 0.1088 ( 4777 PWs) bands (ev): -13.1105 -13.1105 -12.6699 -12.6699 -12.4768 -12.4768 -11.5718 -11.5718 -6.8783 -6.8783 -6.8254 -6.8254 -5.2596 -5.2596 -5.1932 -5.1932 -4.9357 -4.9357 -3.1575 -3.1575 -1.1694 -1.1694 -1.0018 -1.0018 -0.9539 -0.9539 -0.8207 -0.8207 -0.1253 -0.1253 0.4102 0.4102 0.5744 0.5744 0.6493 0.6493 0.8856 0.8856 1.0536 1.0536 1.0785 1.0785 5.3860 5.3860 k = 0.0000 0.0000 0.0907 ( 4777 PWs) bands (ev): -13.1146 -13.1146 -12.6702 -12.6702 -12.4753 -12.4753 -11.5726 -11.5726 -6.8777 -6.8777 -6.8269 -6.8269 -5.2598 -5.2598 -5.1922 -5.1922 -4.9378 -4.9378 -3.1621 -3.1621 -1.1642 -1.1642 -0.9991 -0.9991 -0.9585 -0.9585 -0.8270 -0.8270 -0.1080 -0.1080 0.4147 0.4147 0.5946 0.5946 0.6542 0.6542 0.8885 0.8885 1.0586 1.0586 1.0834 1.0834 5.3669 5.3669 k = 0.0000 0.0000 0.0725 ( 4769 PWs) bands (ev): -13.1180 -13.1180 -12.6705 -12.6705 -12.4741 -12.4741 -11.5731 -11.5731 -6.8771 -6.8771 -6.8281 -6.8281 -5.2600 -5.2600 -5.1914 -5.1914 -4.9395 -4.9395 -3.1658 -3.1658 -1.1603 -1.1603 -0.9964 -0.9964 -0.9625 -0.9625 -0.8322 -0.8322 -0.0934 -0.0934 0.4184 0.4184 0.6111 0.6111 0.6596 0.6596 0.8899 0.8899 1.0624 1.0624 1.0875 1.0875 5.3511 5.3511 k = 0.0000 0.0000 0.0544 ( 4773 PWs) bands (ev): -13.1207 -13.1207 -12.6706 -12.6706 -12.4731 -12.4731 -11.5736 -11.5736 -6.8768 -6.8768 -6.8290 -6.8290 -5.2601 -5.2601 -5.1908 -5.1908 -4.9407 -4.9407 -3.1687 -3.1687 -1.1574 -1.1574 -0.9939 -0.9939 -0.9659 -0.9659 -0.8362 -0.8362 -0.0818 -0.0818 0.4212 0.4212 0.6231 0.6231 0.6656 0.6656 0.8902 0.8902 1.0652 1.0652 1.0907 1.0907 5.3388 5.3388 k = 0.0000 0.0000 0.0363 ( 4761 PWs) bands (ev): -13.1226 -13.1226 -12.6708 -12.6708 -12.4725 -12.4725 -11.5739 -11.5739 -6.8765 -6.8765 -6.8297 -6.8297 -5.2602 -5.2602 -5.1905 -5.1905 -4.9416 -4.9416 -3.1708 -3.1708 -1.1555 -1.1555 -0.9916 -0.9916 -0.9686 -0.9686 -0.8391 -0.8391 -0.0732 -0.0732 0.4233 0.4233 0.6307 0.6307 0.6716 0.6716 0.8900 0.8900 1.0671 1.0671 1.0930 1.0930 5.3300 5.3300 k = 0.0000 0.0000 0.0181 ( 4761 PWs) bands (ev): -13.1237 -13.1237 -12.6708 -12.6708 -12.4721 -12.4721 -11.5741 -11.5741 -6.8763 -6.8763 -6.8301 -6.8301 -5.2603 -5.2603 -5.1902 -5.1902 -4.9422 -4.9422 -3.1720 -3.1720 -1.1544 -1.1544 -0.9901 -0.9901 -0.9705 -0.9705 -0.8408 -0.8408 -0.0681 -0.0681 0.4245 0.4245 0.6347 0.6347 0.6761 0.6761 0.8895 0.8895 1.0682 1.0682 1.0944 1.0944 5.3247 5.3247 k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -13.1241 -13.1241 -12.6709 -12.6709 -12.4719 -12.4719 -11.5742 -11.5742 -6.8763 -6.8763 -6.8302 -6.8302 -5.2603 -5.2603 -5.1902 -5.1902 -4.9424 -4.9424 -3.1724 -3.1724 -1.1541 -1.1541 -0.9895 -0.9895 -0.9712 -0.9712 -0.8414 -0.8414 -0.0663 -0.0663 0.4249 0.4249 0.6359 0.6359 0.6777 0.6777 0.8893 0.8893 1.0686 1.0686 1.0949 1.0949 5.3229 5.3229 k = 0.0000 0.0000 0.0000 ( 4781 PWs) bands (ev): -13.1241 -13.1241 -12.6709 -12.6709 -12.4719 -12.4719 -11.5742 -11.5742 -6.8763 -6.8763 -6.8302 -6.8302 -5.2603 -5.2603 -5.1902 -5.1902 -4.9424 -4.9424 -3.1724 -3.1724 -1.1541 -1.1541 -0.9895 -0.9895 -0.9712 -0.9712 -0.8414 -0.8414 -0.0663 -0.0663 0.4249 0.4249 0.6359 0.6359 0.6777 0.6777 0.8893 0.8893 1.0686 1.0686 1.0949 1.0949 5.3229 5.3229 k =-0.0128 0.0128-0.0000 ( 4765 PWs) bands (ev): -13.1237 -13.1237 -12.6710 -12.6710 -12.4722 -12.4722 -11.5743 -11.5743 -6.8763 -6.8763 -6.8302 -6.8302 -5.2602 -5.2602 -5.1902 -5.1902 -4.9423 -4.9423 -3.1717 -3.1717 -1.1538 -1.1538 -0.9909 -0.9909 -0.9682 -0.9682 -0.8417 -0.8417 -0.0664 -0.0664 0.4225 0.4225 0.6353 0.6353 0.6771 0.6771 0.8890 0.8890 1.0686 1.0686 1.0945 1.0945 5.3259 5.3259 k =-0.0256 0.0256-0.0000 ( 4765 PWs) bands (ev): -13.1226 -13.1226 -12.6713 -12.6713 -12.4732 -12.4732 -11.5744 -11.5744 -6.8764 -6.8764 -6.8301 -6.8301 -5.2601 -5.2601 -5.1905 -5.1905 -4.9421 -4.9421 -3.1695 -3.1695 -1.1530 -1.1530 -0.9936 -0.9936 -0.9612 -0.9612 -0.8427 -0.8427 -0.0668 -0.0668 0.4151 0.4151 0.6336 0.6336 0.6753 0.6753 0.8879 0.8879 1.0685 1.0685 1.0933 1.0933 5.3347 5.3347 k =-0.0385 0.0385-0.0000 ( 4769 PWs) bands (ev): -13.1207 -13.1207 -12.6718 -12.6718 -12.4747 -12.4747 -11.5746 -11.5746 -6.8765 -6.8765 -6.8300 -6.8300 -5.2599 -5.2599 -5.1910 -5.1910 -4.9417 -4.9417 -3.1659 -3.1659 -1.1517 -1.1517 -0.9958 -0.9958 -0.9519 -0.9519 -0.8442 -0.8442 -0.0673 -0.0673 0.4030 0.4030 0.6308 0.6308 0.6724 0.6724 0.8862 0.8862 1.0684 1.0684 1.0914 1.0914 5.3493 5.3493 k =-0.0513 0.0513-0.0000 ( 4765 PWs) bands (ev): -13.1181 -13.1181 -12.6726 -12.6726 -12.4769 -12.4769 -11.5749 -11.5749 -6.8767 -6.8767 -6.8298 -6.8298 -5.2596 -5.2596 -5.1916 -5.1916 -4.9413 -4.9413 -3.1609 -3.1609 -1.1498 -1.1498 -0.9969 -0.9969 -0.9408 -0.9408 -0.8463 -0.8463 -0.0680 -0.0680 0.3863 0.3863 0.6268 0.6268 0.6684 0.6684 0.8836 0.8836 1.0681 1.0681 1.0889 1.0889 5.3696 5.3696 k =-0.0641 0.0641-0.0000 ( 4777 PWs) bands (ev): -13.1148 -13.1148 -12.6735 -12.6735 -12.4796 -12.4796 -11.5753 -11.5753 -6.8770 -6.8770 -6.8296 -6.8296 -5.2592 -5.2592 -5.1925 -5.1925 -4.9407 -4.9407 -3.1545 -3.1545 -1.1473 -1.1473 -0.9968 -0.9968 -0.9284 -0.9284 -0.8489 -0.8489 -0.0689 -0.0689 0.3654 0.3654 0.6216 0.6216 0.6634 0.6634 0.8802 0.8802 1.0675 1.0675 1.0859 1.0859 5.3950 5.3950 k =-0.0769 0.0769-0.0000 ( 4769 PWs) bands (ev): -13.1108 -13.1108 -12.6747 -12.6747 -12.4829 -12.4829 -11.5758 -11.5758 -6.8773 -6.8773 -6.8293 -6.8293 -5.2587 -5.2587 -5.1936 -5.1936 -4.9400 -4.9400 -3.1467 -3.1467 -1.1443 -1.1443 -0.9953 -0.9953 -0.9147 -0.9147 -0.8517 -0.8517 -0.0701 -0.0701 0.3404 0.3404 0.6153 0.6153 0.6575 0.6575 0.8759 0.8759 1.0663 1.0663 1.0827 1.0827 5.4255 5.4255 k =-0.0897 0.0897-0.0000 ( 4769 PWs) bands (ev): -13.1061 -13.1061 -12.6760 -12.6760 -12.4867 -12.4867 -11.5764 -11.5764 -6.8777 -6.8777 -6.8290 -6.8290 -5.2582 -5.2582 -5.1949 -5.1949 -4.9391 -4.9391 -3.1375 -3.1375 -1.1406 -1.1406 -0.9925 -0.9925 -0.9001 -0.9001 -0.8546 -0.8546 -0.0714 -0.0714 0.3119 0.3119 0.6078 0.6078 0.6507 0.6507 0.8705 0.8705 1.0640 1.0640 1.0798 1.0798 5.4606 5.4606 k =-0.1026 0.1026-0.0000 ( 4769 PWs) bands (ev): -13.1008 -13.1008 -12.6775 -12.6775 -12.4911 -12.4911 -11.5771 -11.5771 -6.8781 -6.8781 -6.8286 -6.8286 -5.2577 -5.2577 -5.1964 -5.1964 -4.9382 -4.9382 -3.1271 -3.1271 -1.1362 -1.1362 -0.9884 -0.9884 -0.8849 -0.8849 -0.8570 -0.8570 -0.0728 -0.0728 0.2800 0.2800 0.5991 0.5991 0.6430 0.6430 0.8641 0.8641 1.0604 1.0604 1.0775 1.0775 5.4997 5.4997 k =-0.1154 0.1154-0.0000 ( 4781 PWs) bands (ev): -13.0948 -13.0948 -12.6792 -12.6792 -12.4959 -12.4959 -11.5779 -11.5779 -6.8787 -6.8787 -6.8282 -6.8282 -5.2571 -5.2571 -5.1982 -5.1982 -4.9372 -4.9372 -3.1154 -3.1154 -1.1312 -1.1312 -0.9831 -0.9831 -0.8718 -0.8718 -0.8562 -0.8562 -0.0745 -0.0745 0.2453 0.2453 0.5895 0.5895 0.6344 0.6344 0.8565 0.8565 1.0554 1.0554 1.0760 1.0760 5.5425 5.5425 k =-0.1282 0.1282-0.0000 ( 4789 PWs) bands (ev): -13.0882 -13.0882 -12.6810 -12.6810 -12.5012 -12.5012 -11.5788 -11.5788 -6.8793 -6.8793 -6.8277 -6.8277 -5.2565 -5.2565 -5.2002 -5.2002 -4.9361 -4.9361 -3.1026 -3.1026 -1.1255 -1.1255 -0.9767 -0.9767 -0.8686 -0.8686 -0.8444 -0.8444 -0.0763 -0.0763 0.2082 0.2082 0.5789 0.5789 0.6250 0.6250 0.8477 0.8477 1.0494 1.0494 1.0749 1.0749 5.5884 5.5884 k =-0.1410 0.1410-0.0000 ( 4789 PWs) bands (ev): -13.0810 -13.0810 -12.6830 -12.6830 -12.5069 -12.5069 -11.5798 -11.5798 -6.8801 -6.8801 -6.8272 -6.8272 -5.2559 -5.2559 -5.2024 -5.2024 -4.9349 -4.9349 -3.0886 -3.0886 -1.1191 -1.1191 -0.9692 -0.9692 -0.8701 -0.8701 -0.8268 -0.8268 -0.0782 -0.0782 0.1689 0.1689 0.5674 0.5674 0.6146 0.6146 0.8377 0.8377 1.0426 1.0426 1.0740 1.0740 5.6369 5.6369 k =-0.1538 0.1538-0.0000 ( 4789 PWs) bands (ev): -13.0733 -13.0733 -12.6851 -12.6851 -12.5129 -12.5129 -11.5809 -11.5809 -6.8809 -6.8809 -6.8267 -6.8267 -5.2554 -5.2554 -5.2049 -5.2049 -4.9336 -4.9336 -3.0737 -3.0737 -1.1120 -1.1120 -0.9606 -0.9606 -0.8719 -0.8719 -0.8074 -0.8074 -0.0803 -0.0803 0.1280 0.1280 0.5552 0.5552 0.6032 0.6032 0.8265 0.8265 1.0355 1.0355 1.0730 1.0730 5.6873 5.6873 k =-0.1667 0.1667-0.0000 ( 4781 PWs) bands (ev): -13.0651 -13.0651 -12.6874 -12.6874 -12.5193 -12.5193 -11.5821 -11.5821 -6.8818 -6.8818 -6.8261 -6.8261 -5.2549 -5.2549 -5.2076 -5.2076 -4.9323 -4.9323 -3.0578 -3.0578 -1.1042 -1.1042 -0.9512 -0.9512 -0.8733 -0.8733 -0.7871 -0.7871 -0.0825 -0.0825 0.0858 0.0858 0.5424 0.5424 0.5909 0.5909 0.8139 0.8139 1.0282 1.0282 1.0721 1.0721 5.7392 5.7392 k =-0.1795 0.1795-0.0000 ( 4781 PWs) bands (ev): -13.0564 -13.0564 -12.6897 -12.6897 -12.5259 -12.5259 -11.5834 -11.5834 -6.8828 -6.8828 -6.8255 -6.8255 -5.2545 -5.2545 -5.2105 -5.2105 -4.9310 -4.9310 -3.0411 -3.0411 -1.0957 -1.0957 -0.9408 -0.9408 -0.8740 -0.8740 -0.7660 -0.7660 -0.0848 -0.0848 0.0428 0.0428 0.5290 0.5290 0.5775 0.5775 0.7999 0.7999 1.0209 1.0209 1.0709 1.0709 5.7918 5.7918 k =-0.1923 0.1923-0.0000 ( 4765 PWs) bands (ev): -13.0474 -13.0474 -12.6921 -12.6921 -12.5328 -12.5328 -11.5848 -11.5848 -6.8839 -6.8839 -6.8249 -6.8249 -5.2543 -5.2543 -5.2134 -5.2134 -4.9297 -4.9297 -3.0237 -3.0237 -1.0866 -1.0866 -0.9298 -0.9298 -0.8737 -0.8737 -0.7443 -0.7443 -0.0872 -0.0872 -0.0007 -0.0007 0.5151 0.5151 0.5632 0.5632 0.7845 0.7845 1.0137 1.0137 1.0696 1.0696 5.8448 5.8448 k =-0.2051 0.2051-0.0000 ( 4765 PWs) bands (ev): -13.0380 -13.0380 -12.6946 -12.6946 -12.5399 -12.5399 -11.5863 -11.5863 -6.8851 -6.8851 -6.8242 -6.8242 -5.2543 -5.2543 -5.2164 -5.2164 -4.9284 -4.9284 -3.0058 -3.0058 -1.0769 -1.0769 -0.9180 -0.9180 -0.8725 -0.8725 -0.7220 -0.7220 -0.0897 -0.0897 -0.0443 -0.0443 0.5006 0.5006 0.5479 0.5479 0.7676 0.7676 1.0067 1.0067 1.0680 1.0680 5.8975 5.8975 k =-0.2179 0.2179-0.0000 ( 4765 PWs) bands (ev): -13.0283 -13.0283 -12.6972 -12.6972 -12.5471 -12.5471 -11.5880 -11.5880 -6.8864 -6.8864 -6.8236 -6.8236 -5.2546 -5.2546 -5.2194 -5.2194 -4.9270 -4.9270 -2.9874 -2.9874 -1.0666 -1.0666 -0.9057 -0.9057 -0.8703 -0.8703 -0.6991 -0.6991 -0.0927 -0.0927 -0.0869 -0.0869 0.4856 0.4856 0.5319 0.5319 0.7492 0.7492 1.0002 1.0002 1.0663 1.0663 5.9492 5.9492 k =-0.2308 0.2308-0.0000 ( 4757 PWs) bands (ev): -13.0183 -13.0183 -12.6998 -12.6998 -12.5544 -12.5544 -11.5897 -11.5897 -6.8878 -6.8878 -6.8229 -6.8229 -5.2554 -5.2554 -5.2221 -5.2221 -4.9257 -4.9257 -2.9688 -2.9688 -1.0557 -1.0557 -0.8930 -0.8930 -0.8669 -0.8669 -0.6759 -0.6759 -0.1301 -0.1301 -0.0945 -0.0945 0.4699 0.4699 0.5153 0.5153 0.7293 0.7293 0.9942 0.9942 1.0643 1.0643 5.9996 5.9996 k =-0.2436 0.2436-0.0000 ( 4767 PWs) bands (ev): -13.0082 -13.0082 -12.7024 -12.7024 -12.5617 -12.5617 -11.5915 -11.5915 -6.8892 -6.8892 -6.8222 -6.8222 -5.2567 -5.2567 -5.2245 -5.2245 -4.9245 -4.9245 -2.9500 -2.9500 -1.0443 -1.0443 -0.8801 -0.8801 -0.8623 -0.8623 -0.6521 -0.6521 -0.1713 -0.1713 -0.0971 -0.0971 0.4533 0.4533 0.4985 0.4985 0.7079 0.7079 0.9886 0.9886 1.0622 1.0622 6.0481 6.0481 k =-0.2564 0.2564-0.0000 ( 4755 PWs) bands (ev): -12.9979 -12.9979 -12.7050 -12.7050 -12.5691 -12.5691 -11.5934 -11.5934 -6.8907 -6.8907 -6.8216 -6.8216 -5.2586 -5.2586 -5.2265 -5.2265 -4.9233 -4.9233 -2.9312 -2.9312 -1.0325 -1.0325 -0.8673 -0.8673 -0.8564 -0.8564 -0.6280 -0.6280 -0.2109 -0.2109 -0.0997 -0.0997 0.4357 0.4357 0.4818 0.4818 0.6848 0.6848 0.9837 0.9837 1.0598 1.0598 6.0945 6.0945 k =-0.2692 0.2692-0.0000 ( 4763 PWs) bands (ev): -12.9876 -12.9876 -12.7076 -12.7076 -12.5763 -12.5763 -11.5953 -11.5953 -6.8923 -6.8923 -6.8209 -6.8209 -5.2611 -5.2611 -5.2281 -5.2281 -4.9221 -4.9221 -2.9125 -2.9125 -1.0203 -1.0203 -0.8564 -0.8564 -0.8478 -0.8478 -0.6036 -0.6036 -0.2483 -0.2483 -0.1023 -0.1023 0.4166 0.4166 0.4657 0.4657 0.6603 0.6603 0.9795 0.9795 1.0573 1.0573 6.1380 6.1380 k =-0.2821 0.2821-0.0000 ( 4766 PWs) bands (ev): -12.9773 -12.9773 -12.7102 -12.7102 -12.5835 -12.5835 -11.5974 -11.5974 -6.8939 -6.8939 -6.8203 -6.8203 -5.2643 -5.2643 -5.2291 -5.2291 -4.9210 -4.9210 -2.8942 -2.8942 -1.0078 -1.0078 -0.8483 -0.8483 -0.8358 -0.8358 -0.5787 -0.5787 -0.2831 -0.2831 -0.1048 -0.1048 0.3959 0.3959 0.4504 0.4504 0.6342 0.6342 0.9758 0.9758 1.0547 1.0547 6.1786 6.1786 k =-0.2949 0.2949-0.0000 ( 4770 PWs) bands (ev): -12.9671 -12.9671 -12.7127 -12.7127 -12.5906 -12.5906 -11.5995 -11.5995 -6.8955 -6.8955 -6.8197 -6.8197 -5.2679 -5.2679 -5.2297 -5.2297 -4.9200 -4.9200 -2.8762 -2.8762 -0.9951 -0.9951 -0.8416 -0.8416 -0.8225 -0.8225 -0.5535 -0.5535 -0.3144 -0.3144 -0.1073 -0.1073 0.3736 0.3736 0.4361 0.4361 0.6067 0.6067 0.9727 0.9727 1.0520 1.0520 6.2161 6.2161 k =-0.3077 0.3077-0.0000 ( 4766 PWs) bands (ev): -12.9570 -12.9570 -12.7152 -12.7152 -12.5974 -12.5974 -11.6016 -11.6016 -6.8972 -6.8972 -6.8191 -6.8191 -5.2720 -5.2720 -5.2300 -5.2300 -4.9190 -4.9190 -2.8589 -2.8589 -0.9824 -0.9824 -0.8356 -0.8356 -0.8089 -0.8089 -0.5279 -0.5279 -0.3419 -0.3419 -0.1097 -0.1097 0.3499 0.3499 0.4227 0.4227 0.5778 0.5778 0.9701 0.9701 1.0493 1.0493 6.2502 6.2502 k =-0.3205 0.3205-0.0000 ( 4756 PWs) bands (ev): -12.9472 -12.9472 -12.7176 -12.7176 -12.6040 -12.6040 -11.6037 -11.6037 -6.8988 -6.8988 -6.8185 -6.8185 -5.2762 -5.2762 -5.2300 -5.2300 -4.9181 -4.9181 -2.8422 -2.8422 -0.9697 -0.9697 -0.8307 -0.8307 -0.7954 -0.7954 -0.5018 -0.5018 -0.3646 -0.3646 -0.1121 -0.1121 0.3249 0.3249 0.4103 0.4103 0.5477 0.5477 0.9680 0.9680 1.0467 1.0467 6.2808 6.2808 k =-0.3333 0.3333-0.0000 ( 4744 PWs) bands (ev): -12.9376 -12.9376 -12.7199 -12.7199 -12.6103 -12.6103 -11.6058 -11.6058 -6.9004 -6.9004 -6.8180 -6.8180 -5.2806 -5.2806 -5.2299 -5.2299 -4.9172 -4.9172 -2.8263 -2.8263 -0.9574 -0.9574 -0.8273 -0.8273 -0.7823 -0.7823 -0.4754 -0.4754 -0.3819 -0.3819 -0.1143 -0.1143 0.2988 0.2988 0.3986 0.3986 0.5165 0.5165 0.9663 0.9663 1.0441 1.0441 6.3081 6.3081 k =-0.3462 0.3462-0.0000 ( 4764 PWs) bands (ev): -12.9284 -12.9284 -12.7221 -12.7221 -12.6163 -12.6163 -11.6079 -11.6079 -6.9020 -6.9020 -6.8175 -6.8175 -5.2849 -5.2849 -5.2296 -5.2296 -4.9165 -4.9165 -2.8113 -2.8113 -0.9455 -0.9455 -0.8258 -0.8258 -0.7696 -0.7696 -0.4485 -0.4485 -0.3934 -0.3934 -0.1165 -0.1165 0.2717 0.2717 0.3875 0.3875 0.4843 0.4843 0.9648 0.9648 1.0416 1.0416 6.3318 6.3318 k =-0.3590 0.3590-0.0000 ( 4758 PWs) bands (ev): -12.9196 -12.9196 -12.7242 -12.7242 -12.6219 -12.6219 -11.6100 -11.6100 -6.9035 -6.9035 -6.8170 -6.8170 -5.2892 -5.2892 -5.2293 -5.2293 -4.9158 -4.9158 -2.7973 -2.7973 -0.9345 -0.9345 -0.8262 -0.8262 -0.7575 -0.7575 -0.4211 -0.4211 -0.3986 -0.3986 -0.1185 -0.1185 0.2439 0.2439 0.3767 0.3767 0.4518 0.4518 0.9636 0.9636 1.0394 1.0394 6.3523 6.3523 k =-0.3718 0.3718-0.0000 ( 4760 PWs) bands (ev): -12.9114 -12.9114 -12.7261 -12.7261 -12.6272 -12.6272 -11.6119 -11.6119 -6.9050 -6.9050 -6.8166 -6.8166 -5.2934 -5.2934 -5.2290 -5.2290 -4.9151 -4.9151 -2.7843 -2.7843 -0.9245 -0.9245 -0.8284 -0.8284 -0.7461 -0.7461 -0.3978 -0.3978 -0.3930 -0.3930 -0.1204 -0.1204 0.2154 0.2154 0.3654 0.3654 0.4198 0.4198 0.9625 0.9625 1.0374 1.0374 6.3699 6.3699 k =-0.3846 0.3846-0.0000 ( 4760 PWs) bands (ev): -12.9037 -12.9037 -12.7279 -12.7279 -12.6320 -12.6320 -11.6138 -11.6138 -6.9064 -6.9064 -6.8162 -6.8162 -5.2973 -5.2973 -5.2286 -5.2286 -4.9146 -4.9146 -2.7724 -2.7724 -0.9161 -0.9161 -0.8318 -0.8318 -0.7356 -0.7356 -0.3911 -0.3911 -0.3647 -0.3647 -0.1222 -0.1222 0.1864 0.1864 0.3508 0.3508 0.3912 0.3912 0.9615 0.9615 1.0357 1.0357 6.3845 6.3845 k =-0.3974 0.3974-0.0000 ( 4758 PWs) bands (ev): -12.8966 -12.8966 -12.7296 -12.7296 -12.6364 -12.6364 -11.6156 -11.6156 -6.9077 -6.9077 -6.8158 -6.8158 -5.3010 -5.3010 -5.2283 -5.2283 -4.9141 -4.9141 -2.7616 -2.7616 -0.9097 -0.9097 -0.8356 -0.8356 -0.7259 -0.7259 -0.3795 -0.3795 -0.3357 -0.3357 -0.1238 -0.1238 0.1571 0.1571 0.3281 0.3281 0.3714 0.3714 0.9606 0.9606 1.0343 1.0343 6.3967 6.3967 k =-0.4103 0.4103-0.0000 ( 4774 PWs) bands (ev): -12.8902 -12.8902 -12.7310 -12.7310 -12.6404 -12.6404 -11.6172 -11.6172 -6.9089 -6.9089 -6.8155 -6.8155 -5.3044 -5.3044 -5.2280 -5.2280 -4.9136 -4.9136 -2.7521 -2.7521 -0.9058 -0.9058 -0.8387 -0.8387 -0.7172 -0.7172 -0.3638 -0.3638 -0.3062 -0.3062 -0.1252 -0.1252 0.1275 0.1275 0.2979 0.2979 0.3599 0.3599 0.9597 0.9597 1.0332 1.0332 6.4065 6.4065 k =-0.4231 0.4231-0.0000 ( 4782 PWs) bands (ev): -12.8845 -12.8845 -12.7323 -12.7323 -12.6438 -12.6438 -11.6187 -11.6187 -6.9100 -6.9100 -6.8152 -6.8152 -5.3074 -5.3074 -5.2276 -5.2276 -4.9133 -4.9133 -2.7438 -2.7438 -0.9047 -0.9047 -0.8403 -0.8403 -0.7096 -0.7096 -0.3453 -0.3453 -0.2763 -0.2763 -0.1263 -0.1263 0.0978 0.0978 0.2652 0.2652 0.3523 0.3523 0.9589 0.9589 1.0323 1.0323 6.4143 6.4143 k =-0.4359 0.4359-0.0000 ( 4778 PWs) bands (ev): -12.8797 -12.8797 -12.7334 -12.7334 -12.6468 -12.6468 -11.6200 -11.6200 -6.9109 -6.9109 -6.8150 -6.8150 -5.3100 -5.3100 -5.2274 -5.2274 -4.9130 -4.9130 -2.7367 -2.7367 -0.9059 -0.9059 -0.8403 -0.8403 -0.7030 -0.7030 -0.3252 -0.3252 -0.2462 -0.2462 -0.1272 -0.1272 0.0682 0.0682 0.2326 0.2326 0.3467 0.3467 0.9582 0.9582 1.0317 1.0317 6.4204 6.4204 k =-0.4487 0.4487-0.0000 ( 4778 PWs) bands (ev): -12.8756 -12.8756 -12.7343 -12.7343 -12.6492 -12.6492 -11.6210 -11.6210 -6.9117 -6.9117 -6.8148 -6.8148 -5.3122 -5.3122 -5.2271 -5.2271 -4.9127 -4.9127 -2.7309 -2.7309 -0.9086 -0.9086 -0.8392 -0.8392 -0.6975 -0.6975 -0.3048 -0.3048 -0.2162 -0.2162 -0.1276 -0.1276 0.0388 0.0388 0.2018 0.2018 0.3424 0.3424 0.9575 0.9575 1.0313 1.0313 6.4251 6.4251 k =-0.4615 0.4615-0.0000 ( 4768 PWs) bands (ev): -12.8725 -12.8725 -12.7351 -12.7351 -12.6511 -12.6511 -11.6219 -11.6219 -6.9123 -6.9123 -6.8147 -6.8147 -5.3139 -5.3139 -5.2270 -5.2270 -4.9125 -4.9125 -2.7263 -2.7263 -0.9117 -0.9117 -0.8376 -0.8376 -0.6933 -0.6933 -0.2857 -0.2857 -0.1874 -0.1874 -0.1269 -0.1269 0.0098 0.0098 0.1744 0.1744 0.3392 0.3392 0.9569 0.9569 1.0310 1.0310 6.4285 6.4285 k =-0.4744 0.4744-0.0000 ( 4780 PWs) bands (ev): -12.8702 -12.8702 -12.7356 -12.7356 -12.6524 -12.6524 -11.6225 -11.6225 -6.9127 -6.9127 -6.8146 -6.8146 -5.3151 -5.3151 -5.2268 -5.2268 -4.9124 -4.9124 -2.7231 -2.7231 -0.9145 -0.9145 -0.8361 -0.8361 -0.6902 -0.6902 -0.2698 -0.2698 -0.1624 -0.1624 -0.1229 -0.1229 -0.0183 -0.0183 0.1523 0.1523 0.3369 0.3369 0.9564 0.9564 1.0309 1.0309 6.4308 6.4308 k =-0.4872 0.4872-0.0000 ( 4784 PWs) bands (ev): -12.8688 -12.8688 -12.7359 -12.7359 -12.6533 -12.6533 -11.6229 -11.6229 -6.9130 -6.9130 -6.8145 -6.8145 -5.3159 -5.3159 -5.2267 -5.2267 -4.9123 -4.9123 -2.7211 -2.7211 -0.9163 -0.9163 -0.8351 -0.8351 -0.6884 -0.6884 -0.2590 -0.2590 -0.1481 -0.1481 -0.1107 -0.1107 -0.0441 -0.0441 0.1377 0.1377 0.3356 0.3356 0.9562 0.9562 1.0308 1.0308 6.4321 6.4321 k =-0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k =-0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k =-0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k =-0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k =-0.5000 0.5000 0.0181 ( 4784 PWs) bands (ev): -12.8681 -12.8681 -12.7360 -12.7360 -12.6535 -12.6535 -11.6229 -11.6229 -6.9130 -6.9130 -6.8144 -6.8144 -5.3160 -5.3160 -5.2267 -5.2267 -4.9121 -4.9121 -2.7214 -2.7214 -0.9180 -0.9180 -0.8365 -0.8365 -0.6909 -0.6909 -0.2557 -0.2557 -0.1616 -0.1616 -0.0885 -0.0885 -0.0515 -0.0515 0.1352 0.1352 0.3368 0.3368 0.9562 0.9562 1.0308 1.0308 6.4320 6.4320 k =-0.5000 0.5000 0.0363 ( 4776 PWs) bands (ev): -12.8673 -12.8673 -12.7358 -12.7358 -12.6534 -12.6534 -11.6227 -11.6227 -6.9128 -6.9128 -6.8141 -6.8141 -5.3154 -5.3154 -5.2266 -5.2266 -4.9117 -4.9117 -2.7242 -2.7242 -0.9214 -0.9214 -0.8414 -0.8414 -0.7001 -0.7001 -0.2577 -0.2577 -0.1898 -0.1898 -0.0796 -0.0796 -0.0282 -0.0282 0.1430 0.1430 0.3417 0.3417 0.9566 0.9566 1.0310 1.0310 6.4304 6.4304 k =-0.5000 0.5000 0.0544 ( 4768 PWs) bands (ev): -12.8661 -12.8661 -12.7356 -12.7356 -12.6532 -12.6532 -11.6223 -11.6223 -6.9125 -6.9125 -6.8136 -6.8136 -5.3146 -5.3146 -5.2265 -5.2265 -4.9110 -4.9110 -2.7289 -2.7289 -0.9278 -0.9278 -0.8490 -0.8490 -0.7148 -0.7148 -0.2632 -0.2632 -0.2157 -0.2157 -0.0765 -0.0765 0.0036 0.0036 0.1548 0.1548 0.3502 0.3502 0.9573 0.9573 1.0313 1.0313 6.4277 6.4277 k =-0.5000 0.5000 0.0725 ( 4772 PWs) bands (ev): -12.8643 -12.8643 -12.7354 -12.7354 -12.6530 -12.6530 -11.6217 -11.6217 -6.9121 -6.9121 -6.8128 -6.8128 -5.3134 -5.3134 -5.2264 -5.2264 -4.9100 -4.9100 -2.7353 -2.7353 -0.9388 -0.9388 -0.8581 -0.8581 -0.7342 -0.7342 -0.2765 -0.2765 -0.2322 -0.2322 -0.0750 -0.0750 0.0376 0.0376 0.1693 0.1693 0.3626 0.3626 0.9583 0.9583 1.0317 1.0317 6.4239 6.4239 k =-0.5000 0.5000 0.0907 ( 4772 PWs) bands (ev): -12.8621 -12.8621 -12.7350 -12.7350 -12.6527 -12.6527 -11.6210 -11.6210 -6.9116 -6.9116 -6.8119 -6.8119 -5.3118 -5.3118 -5.2262 -5.2262 -4.9086 -4.9086 -2.7435 -2.7435 -0.9558 -0.9558 -0.8669 -0.8669 -0.7578 -0.7578 -0.2968 -0.2968 -0.2387 -0.2387 -0.0740 -0.0740 0.0717 0.0717 0.1851 0.1851 0.3793 0.3793 0.9596 0.9596 1.0322 1.0322 6.4189 6.4189 k =-0.5000 0.5000 0.1088 ( 4772 PWs) bands (ev): -12.8594 -12.8594 -12.7346 -12.7346 -12.6523 -12.6523 -11.6202 -11.6202 -6.9110 -6.9110 -6.8107 -6.8107 -5.3100 -5.3100 -5.2259 -5.2259 -4.9070 -4.9070 -2.7534 -2.7534 -0.9798 -0.9798 -0.8744 -0.8744 -0.7852 -0.7852 -0.3177 -0.3177 -0.2407 -0.2407 -0.0731 -0.0731 0.1052 0.1052 0.2009 0.2009 0.4004 0.4004 0.9612 0.9612 1.0329 1.0329 6.4128 6.4128 k =-0.5000 0.5000 0.1269 ( 4756 PWs) bands (ev): -12.8563 -12.8563 -12.7341 -12.7341 -12.6518 -12.6518 -11.6192 -11.6192 -6.9103 -6.9103 -6.8094 -6.8094 -5.3079 -5.3079 -5.2256 -5.2256 -4.9051 -4.9051 -2.7649 -2.7649 -1.0104 -1.0104 -0.8803 -0.8803 -0.8163 -0.8163 -0.3358 -0.3358 -0.2411 -0.2411 -0.0723 -0.0723 0.1378 0.1378 0.2161 0.2161 0.4257 0.4257 0.9631 0.9631 1.0336 1.0336 6.4056 6.4056 k =-0.5000 0.5000 0.1450 ( 4748 PWs) bands (ev): -12.8527 -12.8527 -12.7336 -12.7336 -12.6513 -12.6513 -11.6180 -11.6180 -6.9095 -6.9095 -6.8078 -6.8078 -5.3056 -5.3056 -5.2252 -5.2252 -4.9029 -4.9029 -2.7779 -2.7779 -1.0463 -1.0463 -0.8852 -0.8852 -0.8510 -0.8510 -0.3501 -0.3501 -0.2405 -0.2405 -0.0715 -0.0715 0.1691 0.1691 0.2303 0.2303 0.4546 0.4546 0.9653 0.9653 1.0345 1.0345 6.3970 6.3971 k =-0.5000 0.5000 0.1632 ( 4752 PWs) bands (ev): -12.8487 -12.8487 -12.7329 -12.7329 -12.6508 -12.6508 -11.6168 -11.6168 -6.9088 -6.9088 -6.8060 -6.8060 -5.3030 -5.3030 -5.2247 -5.2247 -4.9003 -4.9003 -2.7922 -2.7922 -1.0864 -1.0864 -0.8931 -0.8931 -0.8856 -0.8856 -0.3600 -0.3600 -0.2395 -0.2395 -0.0707 -0.0707 0.1988 0.1988 0.2440 0.2440 0.4861 0.4861 0.9678 0.9678 1.0355 1.0355 6.3872 6.3872 k =-0.5000 0.5000 0.1813 ( 4768 PWs) bands (ev): -12.8442 -12.8442 -12.7323 -12.7323 -12.6503 -12.6503 -11.6154 -11.6154 -6.9080 -6.9080 -6.8040 -6.8040 -5.3003 -5.3003 -5.2241 -5.2241 -4.8975 -4.8975 -2.8079 -2.8079 -1.1295 -1.1295 -0.9321 -0.9321 -0.8918 -0.8918 -0.3658 -0.3658 -0.2381 -0.2381 -0.0698 -0.0698 0.2261 0.2261 0.2581 0.2581 0.5194 0.5194 0.9707 0.9707 1.0366 1.0366 6.3761 6.3761 k =-0.5000 0.5000 0.1994 ( 4764 PWs) bands (ev): -12.8394 -12.8394 -12.7315 -12.7315 -12.6497 -12.6497 -11.6139 -11.6139 -6.9072 -6.9072 -6.8018 -6.8018 -5.2974 -5.2974 -5.2233 -5.2233 -4.8943 -4.8943 -2.8247 -2.8247 -1.1748 -1.1748 -0.9768 -0.9768 -0.8952 -0.8952 -0.3678 -0.3678 -0.2364 -0.2364 -0.0689 -0.0689 0.2493 0.2493 0.2745 0.2745 0.5536 0.5536 0.9741 0.9741 1.0379 1.0379 6.3637 6.3637 k =-0.5000 0.5000 0.2176 ( 4760 PWs) bands (ev): -12.8343 -12.8343 -12.7308 -12.7308 -12.6491 -12.6491 -11.6123 -11.6123 -6.9064 -6.9064 -6.7994 -6.7994 -5.2943 -5.2943 -5.2225 -5.2225 -4.8908 -4.8908 -2.8425 -2.8425 -1.2216 -1.2216 -1.0240 -1.0240 -0.8984 -0.8984 -0.3664 -0.3664 -0.2345 -0.2345 -0.0679 -0.0679 0.2669 0.2669 0.2951 0.2951 0.5881 0.5881 0.9778 0.9778 1.0393 1.0393 6.3501 6.3501 k =-0.5000 0.5000 0.2357 ( 4736 PWs) bands (ev): -12.8288 -12.8288 -12.7299 -12.7299 -12.6484 -12.6484 -11.6106 -11.6106 -6.9057 -6.9057 -6.7968 -6.7968 -5.2912 -5.2912 -5.2215 -5.2215 -4.8869 -4.8869 -2.8612 -2.8612 -1.2692 -1.2692 -1.0733 -1.0733 -0.9016 -0.9016 -0.3622 -0.3622 -0.2324 -0.2324 -0.0669 -0.0669 0.2809 0.2809 0.3180 0.3180 0.6222 0.6222 0.9819 0.9819 1.0408 1.0408 6.3351 6.3351 k =-0.5000 0.5000 0.2538 ( 4760 PWs) bands (ev): -12.8230 -12.8230 -12.7291 -12.7291 -12.6478 -12.6478 -11.6088 -11.6088 -6.9050 -6.9050 -6.7940 -6.7940 -5.2881 -5.2881 -5.2204 -5.2204 -4.8827 -4.8827 -2.8805 -2.8805 -1.3174 -1.3174 -1.1240 -1.1240 -0.9048 -0.9048 -0.3554 -0.3554 -0.2301 -0.2301 -0.0659 -0.0659 0.2935 0.2935 0.3411 0.3411 0.6552 0.6552 0.9865 0.9865 1.0424 1.0424 6.3188 6.3188 k =-0.5000 0.5000 0.2720 ( 4756 PWs) bands (ev): -12.8169 -12.8169 -12.7282 -12.7282 -12.6472 -12.6472 -11.6069 -11.6069 -6.9044 -6.9044 -6.7911 -6.7911 -5.2849 -5.2849 -5.2191 -5.2191 -4.8782 -4.8782 -2.9004 -2.9004 -1.3657 -1.3657 -1.1758 -1.1758 -0.9080 -0.9080 -0.3466 -0.3466 -0.2277 -0.2277 -0.0649 -0.0649 0.3058 0.3058 0.3636 0.3636 0.6869 0.6869 0.9916 0.9916 1.0442 1.0442 6.3014 6.3014 k =-0.5000 0.5000 0.2901 ( 4764 PWs) bands (ev): -12.8106 -12.8106 -12.7273 -12.7273 -12.6466 -12.6466 -11.6050 -11.6050 -6.9038 -6.9038 -6.7880 -6.7880 -5.2817 -5.2817 -5.2178 -5.2178 -4.8734 -4.8734 -2.9206 -2.9206 -1.4138 -1.4138 -1.2282 -1.2282 -0.9113 -0.9113 -0.3361 -0.3361 -0.2251 -0.2251 -0.0638 -0.0638 0.3183 0.3183 0.3851 0.3851 0.7169 0.7169 0.9972 0.9972 1.0460 1.0460 6.2828 6.2828 k =-0.5000 0.5000 0.3082 ( 4748 PWs) bands (ev): -12.8041 -12.8041 -12.7263 -12.7263 -12.6460 -12.6460 -11.6031 -11.6031 -6.9034 -6.9034 -6.7847 -6.7847 -5.2786 -5.2786 -5.2163 -5.2163 -4.8683 -4.8683 -2.9411 -2.9411 -1.4614 -1.4614 -1.2808 -1.2808 -0.9147 -0.9147 -0.3242 -0.3242 -0.2224 -0.2224 -0.0627 -0.0627 0.3310 0.3310 0.4055 0.4055 0.7448 0.7448 1.0034 1.0034 1.0480 1.0480 6.2632 6.2632 k =-0.5000 0.5000 0.3264 ( 4748 PWs) bands (ev): -12.7974 -12.7974 -12.7253 -12.7253 -12.6455 -12.6455 -11.6011 -11.6011 -6.9030 -6.9030 -6.7814 -6.7814 -5.2755 -5.2755 -5.2147 -5.2147 -4.8628 -4.8628 -2.9615 -2.9615 -1.5085 -1.5085 -1.3333 -1.3333 -0.9182 -0.9182 -0.3112 -0.3112 -0.2196 -0.2196 -0.0616 -0.0616 0.3441 0.3441 0.4248 0.4248 0.7705 0.7705 1.0100 1.0100 1.0502 1.0502 6.2427 6.2427 k =-0.5000 0.5000 0.3445 ( 4732 PWs) bands (ev): -12.7906 -12.7906 -12.7244 -12.7244 -12.6450 -12.6450 -11.5991 -11.5991 -6.9026 -6.9026 -6.7780 -6.7780 -5.2725 -5.2725 -5.2131 -5.2131 -4.8571 -4.8571 -2.9819 -2.9819 -1.5548 -1.5548 -1.3853 -1.3853 -0.9216 -0.9216 -0.2974 -0.2974 -0.2166 -0.2166 -0.0605 -0.0605 0.3576 0.3576 0.4430 0.4430 0.7938 0.7938 1.0172 1.0172 1.0524 1.0524 6.2214 6.2214 k =-0.5000 0.5000 0.3626 ( 4732 PWs) bands (ev): -12.7836 -12.7836 -12.7234 -12.7234 -12.6446 -12.6446 -11.5970 -11.5970 -6.9024 -6.9024 -6.7746 -6.7746 -5.2695 -5.2695 -5.2114 -5.2114 -4.8512 -4.8512 -3.0019 -3.0019 -1.6001 -1.6001 -1.4367 -1.4367 -0.9252 -0.9252 -0.2830 -0.2830 -0.2135 -0.2135 -0.0594 -0.0594 0.3716 0.3716 0.4601 0.4601 0.8146 0.8146 1.0247 1.0247 1.0548 1.0548 6.1994 6.1994 k =-0.5000 0.5000 0.3807 ( 4728 PWs) bands (ev): -12.7766 -12.7766 -12.7224 -12.7224 -12.6443 -12.6443 -11.5950 -11.5950 -6.9022 -6.9022 -6.7711 -6.7711 -5.2666 -5.2666 -5.2097 -5.2097 -4.8451 -4.8451 -3.0215 -3.0215 -1.6442 -1.6442 -1.4871 -1.4871 -0.9287 -0.9287 -0.2684 -0.2684 -0.2101 -0.2101 -0.0583 -0.0583 0.3859 0.3859 0.4761 0.4761 0.8330 0.8330 1.0324 1.0324 1.0573 1.0573 6.1770 6.1770 k =-0.5000 0.5000 0.3989 ( 4736 PWs) bands (ev): -12.7695 -12.7695 -12.7215 -12.7215 -12.6440 -12.6440 -11.5930 -11.5930 -6.9021 -6.9021 -6.7676 -6.7676 -5.2639 -5.2639 -5.2080 -5.2080 -4.8388 -4.8388 -3.0404 -3.0404 -1.6871 -1.6871 -1.5363 -1.5363 -0.9323 -0.9323 -0.2538 -0.2538 -0.2064 -0.2064 -0.0572 -0.0572 0.4007 0.4007 0.4910 0.4910 0.8489 0.8489 1.0402 1.0402 1.0601 1.0601 6.1543 6.1543 k =-0.5000 0.5000 0.4170 ( 4744 PWs) bands (ev): -12.7624 -12.7624 -12.7205 -12.7205 -12.6439 -12.6439 -11.5910 -11.5910 -6.9021 -6.9021 -6.7642 -6.7642 -5.2612 -5.2612 -5.2063 -5.2063 -4.8323 -4.8323 -3.0587 -3.0587 -1.7286 -1.7286 -1.5840 -1.5840 -0.9358 -0.9358 -0.2399 -0.2399 -0.2020 -0.2020 -0.0561 -0.0561 0.4158 0.4158 0.5049 0.5049 0.8626 0.8626 1.0476 1.0476 1.0631 1.0631 6.1316 6.1316 k =-0.5000 0.5000 0.4351 ( 4744 PWs) bands (ev): -12.7554 -12.7554 -12.7196 -12.7196 -12.6439 -12.6439 -11.5891 -11.5891 -6.9021 -6.9021 -6.7608 -6.7608 -5.2585 -5.2585 -5.2047 -5.2047 -4.8259 -4.8259 -3.0761 -3.0761 -1.7685 -1.7685 -1.6301 -1.6301 -0.9393 -0.9393 -0.2274 -0.2274 -0.1963 -0.1963 -0.0551 -0.0551 0.4312 0.4312 0.5178 0.5178 0.8742 0.8742 1.0543 1.0543 1.0667 1.0667 6.1090 6.1090 k =-0.5000 0.5000 0.4533 ( 4760 PWs) bands (ev): -12.7484 -12.7484 -12.7187 -12.7187 -12.6441 -12.6441 -11.5872 -11.5872 -6.9022 -6.9022 -6.7575 -6.7575 -5.2560 -5.2560 -5.2031 -5.2031 -4.8194 -4.8194 -3.0926 -3.0926 -1.8068 -1.8068 -1.6743 -1.6743 -0.9428 -0.9428 -0.2174 -0.2174 -0.1883 -0.1883 -0.0540 -0.0540 0.4468 0.4468 0.5297 0.5297 0.8840 0.8840 1.0597 1.0597 1.0711 1.0711 6.0867 6.0867 k =-0.5000 0.5000 0.4714 ( 4760 PWs) bands (ev): -12.7414 -12.7414 -12.7179 -12.7179 -12.6444 -12.6444 -11.5854 -11.5854 -6.9023 -6.9023 -6.7543 -6.7543 -5.2536 -5.2536 -5.2017 -5.2017 -4.8129 -4.8129 -3.1081 -3.1081 -1.8432 -1.8432 -1.7164 -1.7164 -0.9461 -0.9461 -0.2104 -0.2104 -0.1777 -0.1777 -0.0530 -0.0530 0.4626 0.4626 0.5407 0.5407 0.8921 0.8921 1.0639 1.0639 1.0761 1.0761 6.0650 6.0650 k =-0.5000 0.5000 0.4895 ( 4768 PWs) bands (ev): -12.7347 -12.7347 -12.7170 -12.7170 -12.6449 -12.6449 -11.5837 -11.5837 -6.9025 -6.9025 -6.7512 -6.7512 -5.2513 -5.2513 -5.2004 -5.2004 -4.8066 -4.8066 -3.1224 -3.1224 -1.8776 -1.8776 -1.7563 -1.7563 -0.9493 -0.9493 -0.2056 -0.2056 -0.1657 -0.1657 -0.0521 -0.0521 0.4783 0.4783 0.5507 0.5507 0.8987 0.8987 1.0671 1.0671 1.0813 1.0813 6.0441 6.0441 k =-0.5000 0.5000 0.5077 ( 4776 PWs) bands (ev): -12.7280 -12.7280 -12.7162 -12.7162 -12.6456 -12.6456 -11.5820 -11.5820 -6.9027 -6.9027 -6.7483 -6.7483 -5.2491 -5.2491 -5.1991 -5.1991 -4.8004 -4.8004 -3.1357 -3.1357 -1.9100 -1.9100 -1.7937 -1.7937 -0.9523 -0.9523 -0.2020 -0.2020 -0.1531 -0.1531 -0.0512 -0.0512 0.4939 0.4939 0.5598 0.5598 0.9041 0.9041 1.0698 1.0698 1.0862 1.0862 6.0242 6.0242 k =-0.5000 0.5000 0.5258 ( 4776 PWs) bands (ev): -12.7217 -12.7217 -12.7154 -12.7154 -12.6464 -12.6464 -11.5805 -11.5805 -6.9029 -6.9029 -6.7456 -6.7456 -5.2470 -5.2470 -5.1980 -5.1980 -4.7946 -4.7946 -3.1477 -3.1477 -1.9401 -1.9401 -1.8286 -1.8286 -0.9552 -0.9552 -0.1990 -0.1990 -0.1407 -0.1407 -0.0504 -0.0504 0.5092 0.5092 0.5680 0.5680 0.9083 0.9083 1.0722 1.0722 1.0904 1.0904 6.0054 6.0054 k =-0.5000 0.5000 0.5439 ( 4776 PWs) bands (ev): -12.7162 -12.7162 -12.7139 -12.7139 -12.6475 -12.6475 -11.5791 -11.5791 -6.9031 -6.9031 -6.7431 -6.7431 -5.2451 -5.2451 -5.1970 -5.1970 -4.7890 -4.7890 -3.1585 -3.1585 -1.9678 -1.9678 -1.8606 -1.8606 -0.9579 -0.9579 -0.1966 -0.1966 -0.1288 -0.1288 -0.0496 -0.0496 0.5241 0.5241 0.5754 0.5754 0.9114 0.9114 1.0743 1.0743 1.0940 1.0940 5.9879 5.9879 k =-0.5000 0.5000 0.5621 ( 4776 PWs) bands (ev): -12.7146 -12.7146 -12.7089 -12.7089 -12.6488 -12.6488 -11.5778 -11.5778 -6.9033 -6.9033 -6.7408 -6.7408 -5.2433 -5.2433 -5.1962 -5.1962 -4.7838 -4.7838 -3.1681 -3.1681 -1.9930 -1.9930 -1.8898 -1.8898 -0.9604 -0.9604 -0.1945 -0.1945 -0.1177 -0.1177 -0.0489 -0.0489 0.5383 0.5383 0.5820 0.5820 0.9137 0.9137 1.0761 1.0761 1.0969 1.0969 5.9719 5.9719 k =-0.5000 0.5000 0.5802 ( 4776 PWs) bands (ev): -12.7139 -12.7139 -12.7031 -12.7031 -12.6503 -12.6503 -11.5766 -11.5766 -6.9036 -6.9036 -6.7387 -6.7387 -5.2417 -5.2417 -5.1954 -5.1954 -4.7791 -4.7791 -3.1764 -3.1764 -2.0156 -2.0156 -1.9159 -1.9159 -0.9626 -0.9626 -0.1927 -0.1927 -0.1077 -0.1077 -0.0483 -0.0483 0.5517 0.5517 0.5877 0.5877 0.9153 0.9153 1.0777 1.0777 1.0993 1.0993 5.9575 5.9575 k =-0.5000 0.5000 0.5983 ( 4776 PWs) bands (ev): -12.7134 -12.7134 -12.6976 -12.6976 -12.6521 -12.6521 -11.5756 -11.5756 -6.9038 -6.9038 -6.7369 -6.7369 -5.2403 -5.2403 -5.1948 -5.1948 -4.7748 -4.7748 -3.1836 -3.1836 -2.0355 -2.0355 -1.9388 -1.9388 -0.9646 -0.9646 -0.1911 -0.1911 -0.0987 -0.0987 -0.0477 -0.0477 0.5639 0.5639 0.5928 0.5928 0.9162 0.9162 1.0790 1.0790 1.1011 1.1011 5.9448 5.9448 k =-0.5000 0.5000 0.6165 ( 4776 PWs) bands (ev): -12.7129 -12.7129 -12.6924 -12.6924 -12.6541 -12.6541 -11.5747 -11.5747 -6.9040 -6.9040 -6.7353 -6.7353 -5.2391 -5.2391 -5.1942 -5.1942 -4.7712 -4.7712 -3.1896 -3.1896 -2.0524 -2.0524 -1.9584 -1.9584 -0.9663 -0.9663 -0.1898 -0.1898 -0.0909 -0.0909 -0.0472 -0.0472 0.5748 0.5748 0.5971 0.5971 0.9166 0.9166 1.0801 1.0801 1.1024 1.1024 5.9338 5.9338 k =-0.5000 0.5000 0.6346 ( 4768 PWs) bands (ev): -12.7126 -12.7126 -12.6875 -12.6875 -12.6563 -12.6563 -11.5740 -11.5740 -6.9041 -6.9041 -6.7340 -6.7340 -5.2380 -5.2380 -5.1938 -5.1938 -4.7681 -4.7681 -3.1945 -3.1945 -2.0665 -2.0665 -1.9746 -1.9746 -0.9677 -0.9677 -0.1887 -0.1887 -0.0844 -0.0844 -0.0468 -0.0468 0.5839 0.5839 0.6008 0.6008 0.9166 0.9166 1.0810 1.0810 1.1034 1.1034 5.9248 5.9248 k =-0.5000 0.5000 0.6527 ( 4768 PWs) bands (ev): -12.7123 -12.7123 -12.6830 -12.6830 -12.6588 -12.6588 -11.5734 -11.5734 -6.9042 -6.9042 -6.7330 -6.7330 -5.2372 -5.2372 -5.1935 -5.1935 -4.7657 -4.7657 -3.1982 -3.1982 -2.0775 -2.0775 -1.9873 -1.9873 -0.9688 -0.9688 -0.1879 -0.1879 -0.0793 -0.0793 -0.0465 -0.0465 0.5911 0.5911 0.6039 0.6039 0.9165 0.9165 1.0816 1.0816 1.1041 1.1041 5.9177 5.9177 k =-0.5000 0.5000 0.6708 ( 4784 PWs) bands (ev): -12.7121 -12.7121 -12.6789 -12.6789 -12.6613 -12.6613 -11.5730 -11.5730 -6.9043 -6.9043 -6.7323 -6.7323 -5.2367 -5.2367 -5.1932 -5.1932 -4.7639 -4.7639 -3.2009 -3.2009 -2.0854 -2.0854 -1.9964 -1.9964 -0.9696 -0.9696 -0.1873 -0.1873 -0.0756 -0.0756 -0.0463 -0.0463 0.5960 0.5960 0.6064 0.6064 0.9162 0.9162 1.0820 1.0820 1.1045 1.1045 5.9126 5.9126 k =-0.5000 0.5000 0.6890 ( 4784 PWs) bands (ev): -12.7120 -12.7120 -12.6757 -12.6757 -12.6637 -12.6637 -11.5727 -11.5727 -6.9044 -6.9044 -6.7319 -6.7319 -5.2363 -5.2363 -5.1931 -5.1931 -4.7629 -4.7629 -3.2025 -3.2025 -2.0901 -2.0901 -2.0019 -2.0019 -0.9701 -0.9701 -0.1870 -0.1870 -0.0734 -0.0734 -0.0462 -0.0462 0.5988 0.5988 0.6083 0.6083 0.9160 0.9160 1.0823 1.0823 1.1048 1.1048 5.9095 5.9095 k =-0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k =-0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k =-0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k =-0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 k =-0.5000 0.5000 0.6890 ( 4784 PWs) bands (ev): -12.7120 -12.7120 -12.6757 -12.6757 -12.6637 -12.6637 -11.5727 -11.5727 -6.9044 -6.9044 -6.7319 -6.7319 -5.2363 -5.2363 -5.1931 -5.1931 -4.7629 -4.7629 -3.2025 -3.2025 -2.0901 -2.0901 -2.0019 -2.0019 -0.9701 -0.9701 -0.1870 -0.1870 -0.0734 -0.0734 -0.0462 -0.0462 0.5988 0.5988 0.6083 0.6083 0.9160 0.9160 1.0823 1.0823 1.1048 1.1048 5.9095 5.9095 k =-0.5000 0.5000 0.6708 ( 4784 PWs) bands (ev): -12.7121 -12.7121 -12.6789 -12.6789 -12.6613 -12.6613 -11.5730 -11.5730 -6.9043 -6.9043 -6.7323 -6.7323 -5.2367 -5.2367 -5.1932 -5.1932 -4.7639 -4.7639 -3.2009 -3.2009 -2.0854 -2.0854 -1.9964 -1.9964 -0.9696 -0.9696 -0.1873 -0.1873 -0.0756 -0.0756 -0.0463 -0.0463 0.5960 0.5960 0.6064 0.6064 0.9162 0.9162 1.0820 1.0820 1.1045 1.1045 5.9126 5.9126 k =-0.5000 0.5000 0.6527 ( 4768 PWs) bands (ev): -12.7123 -12.7123 -12.6830 -12.6830 -12.6588 -12.6588 -11.5734 -11.5734 -6.9042 -6.9042 -6.7330 -6.7330 -5.2372 -5.2372 -5.1935 -5.1935 -4.7657 -4.7657 -3.1982 -3.1982 -2.0775 -2.0775 -1.9873 -1.9873 -0.9688 -0.9688 -0.1879 -0.1879 -0.0793 -0.0793 -0.0465 -0.0465 0.5911 0.5911 0.6039 0.6039 0.9165 0.9165 1.0816 1.0816 1.1041 1.1041 5.9177 5.9177 k =-0.5000 0.5000 0.6346 ( 4768 PWs) bands (ev): -12.7126 -12.7126 -12.6875 -12.6875 -12.6563 -12.6563 -11.5740 -11.5740 -6.9041 -6.9041 -6.7340 -6.7340 -5.2380 -5.2380 -5.1938 -5.1938 -4.7681 -4.7681 -3.1945 -3.1945 -2.0665 -2.0665 -1.9746 -1.9746 -0.9677 -0.9677 -0.1887 -0.1887 -0.0844 -0.0844 -0.0468 -0.0468 0.5839 0.5839 0.6008 0.6008 0.9166 0.9166 1.0810 1.0810 1.1034 1.1034 5.9248 5.9248 k =-0.5000 0.5000 0.6165 ( 4776 PWs) bands (ev): -12.7129 -12.7129 -12.6924 -12.6924 -12.6541 -12.6541 -11.5747 -11.5747 -6.9040 -6.9040 -6.7353 -6.7353 -5.2391 -5.2391 -5.1942 -5.1942 -4.7712 -4.7712 -3.1896 -3.1896 -2.0524 -2.0524 -1.9584 -1.9584 -0.9663 -0.9663 -0.1898 -0.1898 -0.0909 -0.0909 -0.0472 -0.0472 0.5748 0.5748 0.5971 0.5971 0.9166 0.9166 1.0801 1.0801 1.1024 1.1024 5.9338 5.9338 k =-0.5000 0.5000 0.5983 ( 4776 PWs) bands (ev): -12.7134 -12.7134 -12.6976 -12.6976 -12.6521 -12.6521 -11.5756 -11.5756 -6.9038 -6.9038 -6.7369 -6.7369 -5.2403 -5.2403 -5.1948 -5.1948 -4.7748 -4.7748 -3.1836 -3.1836 -2.0355 -2.0355 -1.9388 -1.9388 -0.9646 -0.9646 -0.1911 -0.1911 -0.0987 -0.0987 -0.0477 -0.0477 0.5639 0.5639 0.5928 0.5928 0.9162 0.9162 1.0790 1.0790 1.1011 1.1011 5.9448 5.9448 k =-0.5000 0.5000 0.5802 ( 4776 PWs) bands (ev): -12.7139 -12.7139 -12.7031 -12.7031 -12.6503 -12.6503 -11.5766 -11.5766 -6.9036 -6.9036 -6.7387 -6.7387 -5.2417 -5.2417 -5.1954 -5.1954 -4.7791 -4.7791 -3.1764 -3.1764 -2.0156 -2.0156 -1.9159 -1.9159 -0.9626 -0.9626 -0.1927 -0.1927 -0.1077 -0.1077 -0.0483 -0.0483 0.5517 0.5517 0.5877 0.5877 0.9153 0.9153 1.0777 1.0777 1.0993 1.0993 5.9575 5.9575 k =-0.5000 0.5000 0.5621 ( 4776 PWs) bands (ev): -12.7146 -12.7146 -12.7089 -12.7089 -12.6488 -12.6488 -11.5778 -11.5778 -6.9033 -6.9033 -6.7408 -6.7408 -5.2433 -5.2433 -5.1962 -5.1962 -4.7838 -4.7838 -3.1681 -3.1681 -1.9930 -1.9930 -1.8898 -1.8898 -0.9604 -0.9604 -0.1945 -0.1945 -0.1177 -0.1177 -0.0489 -0.0489 0.5383 0.5383 0.5820 0.5820 0.9137 0.9137 1.0761 1.0761 1.0969 1.0969 5.9719 5.9719 k =-0.5000 0.5000 0.5439 ( 4776 PWs) bands (ev): -12.7162 -12.7162 -12.7139 -12.7139 -12.6475 -12.6475 -11.5791 -11.5791 -6.9031 -6.9031 -6.7431 -6.7431 -5.2451 -5.2451 -5.1970 -5.1970 -4.7890 -4.7890 -3.1585 -3.1585 -1.9678 -1.9678 -1.8606 -1.8606 -0.9579 -0.9579 -0.1966 -0.1966 -0.1288 -0.1288 -0.0496 -0.0496 0.5241 0.5241 0.5754 0.5754 0.9114 0.9114 1.0743 1.0743 1.0940 1.0940 5.9879 5.9879 k =-0.5000 0.5000 0.5258 ( 4776 PWs) bands (ev): -12.7217 -12.7217 -12.7154 -12.7154 -12.6464 -12.6464 -11.5805 -11.5805 -6.9029 -6.9029 -6.7456 -6.7456 -5.2470 -5.2470 -5.1980 -5.1980 -4.7946 -4.7946 -3.1477 -3.1477 -1.9401 -1.9401 -1.8286 -1.8286 -0.9552 -0.9552 -0.1990 -0.1990 -0.1407 -0.1407 -0.0504 -0.0504 0.5092 0.5092 0.5680 0.5680 0.9083 0.9083 1.0722 1.0722 1.0904 1.0904 6.0054 6.0054 k =-0.5000 0.5000 0.5077 ( 4776 PWs) bands (ev): -12.7280 -12.7280 -12.7162 -12.7162 -12.6456 -12.6456 -11.5820 -11.5820 -6.9027 -6.9027 -6.7483 -6.7483 -5.2491 -5.2491 -5.1991 -5.1991 -4.8004 -4.8004 -3.1357 -3.1357 -1.9100 -1.9100 -1.7937 -1.7937 -0.9523 -0.9523 -0.2020 -0.2020 -0.1531 -0.1531 -0.0512 -0.0512 0.4939 0.4939 0.5598 0.5598 0.9041 0.9041 1.0698 1.0698 1.0862 1.0862 6.0242 6.0242 k =-0.5000 0.5000 0.4895 ( 4768 PWs) bands (ev): -12.7347 -12.7347 -12.7170 -12.7170 -12.6449 -12.6449 -11.5837 -11.5837 -6.9025 -6.9025 -6.7512 -6.7512 -5.2513 -5.2513 -5.2004 -5.2004 -4.8066 -4.8066 -3.1224 -3.1224 -1.8776 -1.8776 -1.7563 -1.7563 -0.9493 -0.9493 -0.2056 -0.2056 -0.1657 -0.1657 -0.0521 -0.0521 0.4783 0.4783 0.5507 0.5507 0.8987 0.8987 1.0671 1.0671 1.0813 1.0813 6.0441 6.0441 k =-0.5000 0.5000 0.4714 ( 4760 PWs) bands (ev): -12.7414 -12.7414 -12.7179 -12.7179 -12.6444 -12.6444 -11.5854 -11.5854 -6.9023 -6.9023 -6.7543 -6.7543 -5.2536 -5.2536 -5.2017 -5.2017 -4.8129 -4.8129 -3.1081 -3.1081 -1.8432 -1.8432 -1.7164 -1.7164 -0.9461 -0.9461 -0.2104 -0.2104 -0.1777 -0.1777 -0.0530 -0.0530 0.4626 0.4626 0.5407 0.5407 0.8921 0.8921 1.0639 1.0639 1.0761 1.0761 6.0650 6.0650 k =-0.5000 0.5000 0.4533 ( 4760 PWs) bands (ev): -12.7484 -12.7484 -12.7187 -12.7187 -12.6441 -12.6441 -11.5872 -11.5872 -6.9022 -6.9022 -6.7575 -6.7575 -5.2560 -5.2560 -5.2031 -5.2031 -4.8194 -4.8194 -3.0926 -3.0926 -1.8068 -1.8068 -1.6743 -1.6743 -0.9428 -0.9428 -0.2174 -0.2174 -0.1883 -0.1883 -0.0540 -0.0540 0.4468 0.4468 0.5297 0.5297 0.8840 0.8840 1.0597 1.0597 1.0711 1.0711 6.0867 6.0867 k =-0.5000 0.5000 0.4351 ( 4744 PWs) bands (ev): -12.7554 -12.7554 -12.7196 -12.7196 -12.6439 -12.6439 -11.5891 -11.5891 -6.9021 -6.9021 -6.7608 -6.7608 -5.2585 -5.2585 -5.2047 -5.2047 -4.8259 -4.8259 -3.0761 -3.0761 -1.7685 -1.7685 -1.6301 -1.6301 -0.9393 -0.9393 -0.2274 -0.2274 -0.1963 -0.1963 -0.0551 -0.0551 0.4312 0.4312 0.5178 0.5178 0.8742 0.8742 1.0543 1.0543 1.0667 1.0667 6.1090 6.1090 k =-0.5000 0.5000 0.4170 ( 4744 PWs) bands (ev): -12.7624 -12.7624 -12.7205 -12.7205 -12.6439 -12.6439 -11.5910 -11.5910 -6.9021 -6.9021 -6.7642 -6.7642 -5.2612 -5.2612 -5.2063 -5.2063 -4.8323 -4.8323 -3.0587 -3.0587 -1.7286 -1.7286 -1.5840 -1.5840 -0.9358 -0.9358 -0.2399 -0.2399 -0.2020 -0.2020 -0.0561 -0.0561 0.4158 0.4158 0.5049 0.5049 0.8626 0.8626 1.0476 1.0476 1.0631 1.0631 6.1316 6.1316 k =-0.5000 0.5000 0.3989 ( 4736 PWs) bands (ev): -12.7695 -12.7695 -12.7215 -12.7215 -12.6440 -12.6440 -11.5930 -11.5930 -6.9021 -6.9021 -6.7676 -6.7676 -5.2639 -5.2639 -5.2080 -5.2080 -4.8388 -4.8388 -3.0404 -3.0404 -1.6871 -1.6871 -1.5363 -1.5363 -0.9323 -0.9323 -0.2538 -0.2538 -0.2064 -0.2064 -0.0572 -0.0572 0.4007 0.4007 0.4910 0.4910 0.8489 0.8489 1.0402 1.0402 1.0601 1.0601 6.1543 6.1543 k =-0.5000 0.5000 0.3807 ( 4728 PWs) bands (ev): -12.7766 -12.7766 -12.7224 -12.7224 -12.6443 -12.6443 -11.5950 -11.5950 -6.9022 -6.9022 -6.7711 -6.7711 -5.2666 -5.2666 -5.2097 -5.2097 -4.8451 -4.8451 -3.0215 -3.0215 -1.6442 -1.6442 -1.4871 -1.4871 -0.9287 -0.9287 -0.2684 -0.2684 -0.2101 -0.2101 -0.0583 -0.0583 0.3859 0.3859 0.4761 0.4761 0.8330 0.8330 1.0324 1.0324 1.0573 1.0573 6.1770 6.1770 k =-0.5000 0.5000 0.3626 ( 4732 PWs) bands (ev): -12.7836 -12.7836 -12.7234 -12.7234 -12.6446 -12.6446 -11.5970 -11.5970 -6.9024 -6.9024 -6.7746 -6.7746 -5.2695 -5.2695 -5.2114 -5.2114 -4.8512 -4.8512 -3.0019 -3.0019 -1.6001 -1.6001 -1.4367 -1.4367 -0.9252 -0.9252 -0.2830 -0.2830 -0.2135 -0.2135 -0.0594 -0.0594 0.3716 0.3716 0.4601 0.4601 0.8146 0.8146 1.0247 1.0247 1.0548 1.0548 6.1994 6.1994 k =-0.5000 0.5000 0.3445 ( 4732 PWs) bands (ev): -12.7906 -12.7906 -12.7244 -12.7244 -12.6450 -12.6450 -11.5991 -11.5991 -6.9026 -6.9026 -6.7780 -6.7780 -5.2725 -5.2725 -5.2131 -5.2131 -4.8571 -4.8571 -2.9819 -2.9819 -1.5548 -1.5548 -1.3853 -1.3853 -0.9216 -0.9216 -0.2974 -0.2974 -0.2166 -0.2166 -0.0605 -0.0605 0.3576 0.3576 0.4430 0.4430 0.7938 0.7938 1.0172 1.0172 1.0524 1.0524 6.2214 6.2214 k =-0.5000 0.5000 0.3264 ( 4748 PWs) bands (ev): -12.7974 -12.7974 -12.7253 -12.7253 -12.6455 -12.6455 -11.6011 -11.6011 -6.9030 -6.9030 -6.7814 -6.7814 -5.2755 -5.2755 -5.2147 -5.2147 -4.8628 -4.8628 -2.9615 -2.9615 -1.5085 -1.5085 -1.3333 -1.3333 -0.9182 -0.9182 -0.3112 -0.3112 -0.2196 -0.2196 -0.0616 -0.0616 0.3441 0.3441 0.4248 0.4248 0.7705 0.7705 1.0100 1.0100 1.0502 1.0502 6.2427 6.2427 k =-0.5000 0.5000 0.3082 ( 4748 PWs) bands (ev): -12.8041 -12.8041 -12.7263 -12.7263 -12.6460 -12.6460 -11.6031 -11.6031 -6.9034 -6.9034 -6.7847 -6.7847 -5.2786 -5.2786 -5.2163 -5.2163 -4.8683 -4.8683 -2.9411 -2.9411 -1.4614 -1.4614 -1.2808 -1.2808 -0.9147 -0.9147 -0.3242 -0.3242 -0.2224 -0.2224 -0.0627 -0.0627 0.3310 0.3310 0.4055 0.4055 0.7448 0.7448 1.0034 1.0034 1.0480 1.0480 6.2632 6.2632 k =-0.5000 0.5000 0.2901 ( 4764 PWs) bands (ev): -12.8106 -12.8106 -12.7273 -12.7273 -12.6466 -12.6466 -11.6050 -11.6050 -6.9038 -6.9038 -6.7880 -6.7880 -5.2817 -5.2817 -5.2178 -5.2178 -4.8734 -4.8734 -2.9206 -2.9206 -1.4138 -1.4138 -1.2282 -1.2282 -0.9113 -0.9113 -0.3361 -0.3361 -0.2251 -0.2251 -0.0638 -0.0638 0.3183 0.3183 0.3851 0.3851 0.7169 0.7169 0.9972 0.9972 1.0460 1.0460 6.2828 6.2828 k =-0.5000 0.5000 0.2720 ( 4756 PWs) bands (ev): -12.8169 -12.8169 -12.7282 -12.7282 -12.6472 -12.6472 -11.6069 -11.6069 -6.9044 -6.9044 -6.7911 -6.7911 -5.2849 -5.2849 -5.2191 -5.2191 -4.8782 -4.8782 -2.9004 -2.9004 -1.3657 -1.3657 -1.1758 -1.1758 -0.9080 -0.9080 -0.3466 -0.3466 -0.2277 -0.2277 -0.0649 -0.0649 0.3058 0.3058 0.3636 0.3636 0.6869 0.6869 0.9916 0.9916 1.0442 1.0442 6.3014 6.3014 k =-0.5000 0.5000 0.2538 ( 4760 PWs) bands (ev): -12.8230 -12.8230 -12.7291 -12.7291 -12.6478 -12.6478 -11.6088 -11.6088 -6.9050 -6.9050 -6.7940 -6.7940 -5.2881 -5.2881 -5.2204 -5.2204 -4.8827 -4.8827 -2.8805 -2.8805 -1.3174 -1.3174 -1.1240 -1.1240 -0.9048 -0.9048 -0.3554 -0.3554 -0.2301 -0.2301 -0.0659 -0.0659 0.2935 0.2935 0.3411 0.3411 0.6552 0.6552 0.9865 0.9865 1.0424 1.0424 6.3188 6.3188 k =-0.5000 0.5000 0.2357 ( 4736 PWs) bands (ev): -12.8288 -12.8288 -12.7299 -12.7299 -12.6484 -12.6484 -11.6106 -11.6106 -6.9057 -6.9057 -6.7968 -6.7968 -5.2912 -5.2912 -5.2215 -5.2215 -4.8869 -4.8869 -2.8612 -2.8612 -1.2692 -1.2692 -1.0733 -1.0733 -0.9016 -0.9016 -0.3622 -0.3622 -0.2324 -0.2324 -0.0669 -0.0669 0.2809 0.2809 0.3180 0.3180 0.6222 0.6222 0.9819 0.9819 1.0408 1.0408 6.3351 6.3351 k =-0.5000 0.5000 0.2176 ( 4760 PWs) bands (ev): -12.8343 -12.8343 -12.7308 -12.7308 -12.6491 -12.6491 -11.6123 -11.6123 -6.9064 -6.9064 -6.7994 -6.7994 -5.2943 -5.2943 -5.2225 -5.2225 -4.8908 -4.8908 -2.8425 -2.8425 -1.2216 -1.2216 -1.0240 -1.0240 -0.8984 -0.8984 -0.3664 -0.3664 -0.2345 -0.2345 -0.0679 -0.0679 0.2669 0.2669 0.2951 0.2951 0.5881 0.5881 0.9778 0.9778 1.0393 1.0393 6.3501 6.3501 k =-0.5000 0.5000 0.1994 ( 4764 PWs) bands (ev): -12.8394 -12.8394 -12.7315 -12.7315 -12.6497 -12.6497 -11.6139 -11.6139 -6.9072 -6.9072 -6.8018 -6.8018 -5.2974 -5.2974 -5.2233 -5.2233 -4.8943 -4.8943 -2.8247 -2.8247 -1.1748 -1.1748 -0.9768 -0.9768 -0.8952 -0.8952 -0.3678 -0.3678 -0.2364 -0.2364 -0.0689 -0.0689 0.2493 0.2493 0.2745 0.2745 0.5536 0.5536 0.9741 0.9741 1.0379 1.0379 6.3637 6.3637 k =-0.5000 0.5000 0.1813 ( 4768 PWs) bands (ev): -12.8442 -12.8442 -12.7323 -12.7323 -12.6503 -12.6503 -11.6154 -11.6154 -6.9080 -6.9080 -6.8040 -6.8040 -5.3003 -5.3003 -5.2241 -5.2241 -4.8975 -4.8975 -2.8079 -2.8079 -1.1295 -1.1295 -0.9321 -0.9321 -0.8918 -0.8918 -0.3658 -0.3658 -0.2381 -0.2381 -0.0698 -0.0698 0.2261 0.2261 0.2581 0.2581 0.5194 0.5194 0.9707 0.9707 1.0366 1.0366 6.3761 6.3761 k =-0.5000 0.5000 0.1632 ( 4752 PWs) bands (ev): -12.8487 -12.8487 -12.7329 -12.7329 -12.6508 -12.6508 -11.6168 -11.6168 -6.9088 -6.9088 -6.8060 -6.8060 -5.3030 -5.3030 -5.2247 -5.2247 -4.9003 -4.9003 -2.7922 -2.7922 -1.0864 -1.0864 -0.8931 -0.8931 -0.8856 -0.8856 -0.3600 -0.3600 -0.2395 -0.2395 -0.0707 -0.0707 0.1988 0.1988 0.2440 0.2440 0.4861 0.4861 0.9678 0.9678 1.0355 1.0355 6.3872 6.3872 k =-0.5000 0.5000 0.1450 ( 4748 PWs) bands (ev): -12.8527 -12.8527 -12.7336 -12.7336 -12.6513 -12.6513 -11.6180 -11.6180 -6.9095 -6.9095 -6.8078 -6.8078 -5.3056 -5.3056 -5.2252 -5.2252 -4.9029 -4.9029 -2.7779 -2.7779 -1.0463 -1.0463 -0.8852 -0.8852 -0.8510 -0.8510 -0.3501 -0.3501 -0.2405 -0.2405 -0.0715 -0.0715 0.1691 0.1691 0.2303 0.2303 0.4546 0.4546 0.9653 0.9653 1.0345 1.0345 6.3971 6.3971 k =-0.5000 0.5000 0.1269 ( 4756 PWs) bands (ev): -12.8563 -12.8563 -12.7341 -12.7341 -12.6518 -12.6518 -11.6192 -11.6192 -6.9103 -6.9103 -6.8094 -6.8094 -5.3079 -5.3079 -5.2256 -5.2256 -4.9051 -4.9051 -2.7649 -2.7649 -1.0104 -1.0104 -0.8803 -0.8803 -0.8163 -0.8163 -0.3358 -0.3358 -0.2411 -0.2411 -0.0723 -0.0723 0.1378 0.1378 0.2161 0.2161 0.4257 0.4257 0.9631 0.9631 1.0336 1.0336 6.4056 6.4056 k =-0.5000 0.5000 0.1088 ( 4772 PWs) bands (ev): -12.8594 -12.8594 -12.7346 -12.7346 -12.6523 -12.6523 -11.6202 -11.6202 -6.9110 -6.9110 -6.8107 -6.8107 -5.3100 -5.3100 -5.2259 -5.2259 -4.9070 -4.9070 -2.7534 -2.7534 -0.9798 -0.9798 -0.8744 -0.8744 -0.7852 -0.7852 -0.3177 -0.3177 -0.2407 -0.2407 -0.0731 -0.0731 0.1052 0.1052 0.2009 0.2009 0.4004 0.4004 0.9612 0.9612 1.0329 1.0329 6.4128 6.4128 k =-0.5000 0.5000 0.0907 ( 4772 PWs) bands (ev): -12.8621 -12.8621 -12.7350 -12.7350 -12.6527 -12.6527 -11.6210 -11.6210 -6.9116 -6.9116 -6.8119 -6.8119 -5.3118 -5.3118 -5.2262 -5.2262 -4.9086 -4.9086 -2.7435 -2.7435 -0.9558 -0.9558 -0.8669 -0.8669 -0.7578 -0.7578 -0.2968 -0.2968 -0.2387 -0.2387 -0.0740 -0.0740 0.0717 0.0717 0.1851 0.1851 0.3793 0.3793 0.9596 0.9596 1.0322 1.0322 6.4189 6.4189 k =-0.5000 0.5000 0.0725 ( 4772 PWs) bands (ev): -12.8643 -12.8643 -12.7354 -12.7354 -12.6530 -12.6530 -11.6217 -11.6217 -6.9121 -6.9121 -6.8128 -6.8128 -5.3134 -5.3134 -5.2264 -5.2264 -4.9100 -4.9100 -2.7353 -2.7353 -0.9388 -0.9388 -0.8581 -0.8581 -0.7342 -0.7342 -0.2765 -0.2765 -0.2322 -0.2322 -0.0750 -0.0750 0.0376 0.0376 0.1693 0.1693 0.3626 0.3626 0.9583 0.9583 1.0317 1.0317 6.4239 6.4239 k =-0.5000 0.5000 0.0544 ( 4768 PWs) bands (ev): -12.8661 -12.8661 -12.7356 -12.7356 -12.6532 -12.6532 -11.6223 -11.6223 -6.9125 -6.9125 -6.8136 -6.8136 -5.3146 -5.3146 -5.2265 -5.2265 -4.9110 -4.9110 -2.7289 -2.7289 -0.9278 -0.9278 -0.8490 -0.8490 -0.7148 -0.7148 -0.2632 -0.2632 -0.2157 -0.2157 -0.0765 -0.0765 0.0036 0.0036 0.1548 0.1548 0.3502 0.3502 0.9573 0.9573 1.0313 1.0313 6.4277 6.4277 k =-0.5000 0.5000 0.0363 ( 4776 PWs) bands (ev): -12.8673 -12.8673 -12.7358 -12.7358 -12.6534 -12.6534 -11.6227 -11.6227 -6.9128 -6.9128 -6.8141 -6.8141 -5.3154 -5.3154 -5.2266 -5.2266 -4.9117 -4.9117 -2.7242 -2.7242 -0.9214 -0.9214 -0.8414 -0.8414 -0.7001 -0.7001 -0.2577 -0.2577 -0.1898 -0.1898 -0.0796 -0.0796 -0.0282 -0.0282 0.1430 0.1430 0.3417 0.3417 0.9566 0.9566 1.0310 1.0310 6.4304 6.4304 k =-0.5000 0.5000 0.0181 ( 4784 PWs) bands (ev): -12.8681 -12.8681 -12.7360 -12.7360 -12.6535 -12.6535 -11.6229 -11.6229 -6.9130 -6.9130 -6.8144 -6.8144 -5.3160 -5.3160 -5.2267 -5.2267 -4.9121 -4.9121 -2.7214 -2.7214 -0.9180 -0.9180 -0.8365 -0.8365 -0.6909 -0.6909 -0.2557 -0.2557 -0.1616 -0.1616 -0.0885 -0.0885 -0.0515 -0.0515 0.1352 0.1352 0.3368 0.3368 0.9562 0.9562 1.0308 1.0308 6.4320 6.4320 k =-0.5000 0.5000-0.0000 ( 4784 PWs) bands (ev): -12.8683 -12.8683 -12.7360 -12.7360 -12.6535 -12.6535 -11.6230 -11.6230 -6.9131 -6.9131 -6.8145 -6.8145 -5.3161 -5.3161 -5.2267 -5.2267 -4.9123 -4.9123 -2.7205 -2.7205 -0.9170 -0.9170 -0.8347 -0.8347 -0.6877 -0.6877 -0.2552 -0.2552 -0.1447 -0.1447 -0.0994 -0.0994 -0.0586 -0.0586 0.1325 0.1325 0.3352 0.3352 0.9561 0.9561 1.0308 1.0308 6.4325 6.4325 k = 0.0000 0.0000 0.7071 ( 4712 PWs) bands (ev): -12.7393 -12.7393 -12.6992 -12.6992 -12.6549 -12.6549 -11.5320 -11.5320 -6.9389 -6.9389 -6.7352 -6.7352 -5.3243 -5.3243 -5.2293 -5.2293 -4.7470 -4.7470 -2.7307 -2.7307 -1.6090 -1.6090 -1.5226 -1.5226 -0.6901 -0.6901 -0.2550 -0.2550 -0.1514 -0.1514 -0.0831 -0.0831 -0.0597 -0.0597 0.1899 0.1899 0.3448 0.3448 0.6507 0.6507 0.7201 0.7201 6.6087 6.6087 k =-0.0128 0.0128 0.7071 ( 4732 PWs) bands (ev): -12.7392 -12.7392 -12.6991 -12.6991 -12.6550 -12.6550 -11.5322 -11.5322 -6.9388 -6.9388 -6.7352 -6.7352 -5.3240 -5.3240 -5.2293 -5.2293 -4.7470 -4.7470 -2.7313 -2.7313 -1.6100 -1.6100 -1.5234 -1.5234 -0.6892 -0.6892 -0.2582 -0.2582 -0.1537 -0.1537 -0.1012 -0.1012 -0.0393 -0.0393 0.1939 0.1939 0.3446 0.3446 0.6517 0.6517 0.7209 0.7209 6.6086 6.6086 k =-0.0256 0.0256 0.7071 ( 4744 PWs) bands (ev): -12.7389 -12.7389 -12.6988 -12.6988 -12.6553 -12.6553 -11.5326 -11.5326 -6.9385 -6.9385 -6.7352 -6.7352 -5.3230 -5.3230 -5.2293 -5.2293 -4.7471 -4.7471 -2.7331 -2.7331 -1.6128 -1.6128 -1.5260 -1.5260 -0.6864 -0.6864 -0.2674 -0.2674 -0.1638 -0.1638 -0.1207 -0.1207 -0.0099 -0.0099 0.2055 0.2055 0.3441 0.3441 0.6546 0.6546 0.7232 0.7232 6.6090 6.6090 k =-0.0385 0.0385 0.7071 ( 4756 PWs) bands (ev): -12.7383 -12.7383 -12.6983 -12.6983 -12.6558 -12.6558 -11.5334 -11.5334 -6.9381 -6.9381 -6.7352 -6.7352 -5.3215 -5.3215 -5.2293 -5.2293 -4.7471 -4.7471 -2.7361 -2.7361 -1.6175 -1.6175 -1.5304 -1.5304 -0.6817 -0.6817 -0.2815 -0.2815 -0.1856 -0.1856 -0.1296 -0.1296 0.0206 0.0206 0.2235 0.2235 0.3434 0.3434 0.6593 0.6593 0.7272 0.7272 6.6095 6.6095 k =-0.0513 0.0513 0.7071 ( 4758 PWs) bands (ev): -12.7376 -12.7376 -12.6977 -12.6977 -12.6565 -12.6565 -11.5344 -11.5344 -6.9374 -6.9374 -6.7351 -6.7351 -5.3193 -5.3193 -5.2293 -5.2293 -4.7472 -4.7472 -2.7403 -2.7403 -1.6240 -1.6240 -1.5363 -1.5363 -0.6752 -0.6752 -0.2992 -0.2992 -0.2140 -0.2140 -0.1322 -0.1322 0.0512 0.0512 0.2465 0.2465 0.3426 0.3426 0.6656 0.6656 0.7330 0.7330 6.6100 6.6100 k =-0.0641 0.0641 0.7071 ( 4758 PWs) bands (ev): -12.7367 -12.7367 -12.6968 -12.6968 -12.6573 -12.6573 -11.5356 -11.5356 -6.9365 -6.9365 -6.7351 -6.7351 -5.3166 -5.3166 -5.2293 -5.2293 -4.7474 -4.7474 -2.7457 -2.7457 -1.6323 -1.6323 -1.5440 -1.5440 -0.6669 -0.6669 -0.3190 -0.3190 -0.2446 -0.2446 -0.1327 -0.1327 0.0819 0.0819 0.2731 0.2731 0.3418 0.3418 0.6732 0.6732 0.7407 0.7407 6.6105 6.6105 k =-0.0769 0.0769 0.7071 ( 4758 PWs) bands (ev): -12.7356 -12.7356 -12.6958 -12.6958 -12.6583 -12.6583 -11.5371 -11.5371 -6.9355 -6.9355 -6.7351 -6.7351 -5.3133 -5.3133 -5.2293 -5.2293 -4.7475 -4.7475 -2.7523 -2.7523 -1.6422 -1.6422 -1.5531 -1.5531 -0.6568 -0.6568 -0.3399 -0.3399 -0.2758 -0.2758 -0.1322 -0.1322 0.1123 0.1123 0.3022 0.3022 0.3414 0.3414 0.6818 0.6818 0.7501 0.7501 6.6106 6.6106 k =-0.0897 0.0897 0.7071 ( 4750 PWs) bands (ev): -12.7343 -12.7343 -12.6946 -12.6946 -12.6594 -12.6594 -11.5389 -11.5389 -6.9343 -6.9343 -6.7351 -6.7351 -5.3095 -5.3095 -5.2293 -5.2293 -4.7477 -4.7477 -2.7603 -2.7603 -1.6537 -1.6537 -1.5638 -1.5638 -0.6449 -0.6449 -0.3609 -0.3609 -0.3072 -0.3072 -0.1313 -0.1313 0.1423 0.1423 0.3327 0.3327 0.3416 0.3416 0.6913 0.6913 0.7614 0.7614 6.6102 6.6102 k =-0.1026 0.1026 0.7071 ( 4746 PWs) bands (ev): -12.7329 -12.7329 -12.6933 -12.6933 -12.6608 -12.6608 -11.5408 -11.5408 -6.9330 -6.9330 -6.7350 -6.7350 -5.3053 -5.3053 -5.2293 -5.2293 -4.7480 -4.7480 -2.7695 -2.7695 -1.6665 -1.6665 -1.5758 -1.5758 -0.6314 -0.6314 -0.3814 -0.3814 -0.3383 -0.3383 -0.1300 -0.1300 0.1719 0.1719 0.3423 0.3423 0.3641 0.3641 0.7016 0.7016 0.7742 0.7742 6.6090 6.6090 k =-0.1154 0.1154 0.7071 ( 4748 PWs) bands (ev): -12.7312 -12.7312 -12.6920 -12.6920 -12.6622 -12.6622 -11.5428 -11.5428 -6.9316 -6.9316 -6.7350 -6.7350 -5.3006 -5.3006 -5.2293 -5.2293 -4.7482 -4.7482 -2.7799 -2.7799 -1.6807 -1.6807 -1.5892 -1.5892 -0.6164 -0.6164 -0.4010 -0.4010 -0.3690 -0.3690 -0.1285 -0.1285 0.2007 0.2007 0.3438 0.3438 0.3957 0.3957 0.7128 0.7128 0.7884 0.7884 6.6066 6.6066 k =-0.1282 0.1282 0.7071 ( 4756 PWs) bands (ev): -12.7294 -12.7294 -12.6904 -12.6904 -12.6638 -12.6638 -11.5450 -11.5450 -6.9301 -6.9301 -6.7349 -6.7349 -5.2956 -5.2956 -5.2293 -5.2293 -4.7485 -4.7485 -2.7917 -2.7917 -1.6960 -1.6960 -1.6037 -1.6037 -0.5998 -0.5998 -0.4198 -0.4198 -0.3986 -0.3986 -0.1268 -0.1268 0.2286 0.2286 0.3463 0.3463 0.4272 0.4272 0.7250 0.7250 0.8038 0.8038 6.6028 6.6028 k =-0.1410 0.1410 0.7071 ( 4750 PWs) bands (ev): -12.7275 -12.7275 -12.6889 -12.6889 -12.6656 -12.6656 -11.5473 -11.5473 -6.9285 -6.9285 -6.7349 -6.7349 -5.2903 -5.2903 -5.2293 -5.2293 -4.7489 -4.7489 -2.8047 -2.8047 -1.7124 -1.7124 -1.6193 -1.6193 -0.5818 -0.5818 -0.4399 -0.4399 -0.4244 -0.4244 -0.1249 -0.1249 0.2555 0.2555 0.3497 0.3497 0.4583 0.4583 0.7381 0.7381 0.8199 0.8199 6.5974 6.5974 k =-0.1538 0.1538 0.7071 ( 4756 PWs) bands (ev): -12.7254 -12.7254 -12.6872 -12.6872 -12.6674 -12.6674 -11.5496 -11.5496 -6.9269 -6.9269 -6.7348 -6.7348 -5.2847 -5.2847 -5.2293 -5.2293 -4.7493 -4.7493 -2.8188 -2.8188 -1.7296 -1.7296 -1.6358 -1.6358 -0.5626 -0.5626 -0.4655 -0.4655 -0.4419 -0.4419 -0.1229 -0.1229 0.2813 0.2813 0.3542 0.3542 0.4887 0.4887 0.7523 0.7523 0.8366 0.8366 6.5899 6.5899 k =-0.1667 0.1667 0.7071 ( 4736 PWs) bands (ev): -12.7232 -12.7232 -12.6855 -12.6855 -12.6694 -12.6694 -11.5519 -11.5519 -6.9252 -6.9252 -6.7347 -6.7347 -5.2790 -5.2790 -5.2293 -5.2293 -4.7497 -4.7497 -2.8341 -2.8341 -1.7476 -1.7476 -1.6532 -1.6532 -0.5426 -0.5426 -0.4933 -0.4933 -0.4538 -0.4538 -0.1207 -0.1207 0.3059 0.3059 0.3599 0.3599 0.5185 0.5185 0.7676 0.7676 0.8536 0.8536 6.5803 6.5803 k =-0.1795 0.1795 0.7071 ( 4748 PWs) bands (ev): -12.7209 -12.7209 -12.6839 -12.6839 -12.6714 -12.6714 -11.5543 -11.5543 -6.9235 -6.9235 -6.7347 -6.7347 -5.2731 -5.2731 -5.2294 -5.2294 -4.7501 -4.7501 -2.8505 -2.8505 -1.7661 -1.7661 -1.6713 -1.6713 -0.5299 -0.5299 -0.5132 -0.5132 -0.4621 -0.4621 -0.1185 -0.1185 0.3290 0.3290 0.3667 0.3667 0.5473 0.5473 0.7838 0.7838 0.8707 0.8707 6.5681 6.5681 k =-0.1923 0.1923 0.7071 ( 4746 PWs) bands (ev): -12.7185 -12.7185 -12.6822 -12.6822 -12.6735 -12.6735 -11.5565 -11.5565 -6.9218 -6.9218 -6.7346 -6.7346 -5.2672 -5.2672 -5.2294 -5.2294 -4.7506 -4.7506 -2.8678 -2.8678 -1.7850 -1.7850 -1.6899 -1.6899 -0.5535 -0.5535 -0.4955 -0.4955 -0.4673 -0.4673 -0.1161 -0.1161 0.3504 0.3504 0.3749 0.3749 0.5753 0.5753 0.8009 0.8009 0.8877 0.8877 6.5534 6.5534 k =-0.2051 0.2051 0.7071 ( 4762 PWs) bands (ev): -12.7161 -12.7161 -12.6805 -12.6805 -12.6757 -12.6757 -11.5588 -11.5588 -6.9202 -6.9202 -6.7345 -6.7345 -5.2613 -5.2613 -5.2295 -5.2295 -4.7512 -4.7512 -2.8860 -2.8860 -1.8043 -1.8043 -1.7089 -1.7089 -0.5814 -0.5814 -0.4723 -0.4723 -0.4696 -0.4696 -0.1137 -0.1137 0.3693 0.3693 0.3853 0.3853 0.6024 0.6024 0.8188 0.8188 0.9044 0.9044 6.5357 6.5357 k =-0.2179 0.2179 0.7071 ( 4754 PWs) bands (ev): -12.7135 -12.7135 -12.6789 -12.6789 -12.6779 -12.6779 -11.5608 -11.5608 -6.9186 -6.9186 -6.7344 -6.7344 -5.2555 -5.2555 -5.2296 -5.2296 -4.7517 -4.7517 -2.9049 -2.9049 -1.8237 -1.8237 -1.7282 -1.7282 -0.6092 -0.6092 -0.4690 -0.4690 -0.4480 -0.4480 -0.1111 -0.1111 0.3846 0.3846 0.3991 0.3991 0.6286 0.6286 0.8373 0.8373 0.9206 0.9206 6.5153 6.5153 k =-0.2308 0.2308 0.7071 ( 4754 PWs) bands (ev): -12.7109 -12.7109 -12.6802 -12.6802 -12.6773 -12.6773 -11.5628 -11.5628 -6.9171 -6.9171 -6.7343 -6.7343 -5.2497 -5.2497 -5.2297 -5.2297 -4.7523 -4.7523 -2.9243 -2.9243 -1.8431 -1.8431 -1.7477 -1.7477 -0.6365 -0.6365 -0.4655 -0.4655 -0.4231 -0.4231 -0.1086 -0.1086 0.3970 0.3970 0.4154 0.4154 0.6538 0.6538 0.8561 0.8561 0.9364 0.9364 6.4920 6.4920 k =-0.2436 0.2436 0.7071 ( 4746 PWs) bands (ev): -12.7083 -12.7083 -12.6825 -12.6825 -12.6758 -12.6758 -11.5646 -11.5646 -6.9156 -6.9156 -6.7341 -6.7341 -5.2442 -5.2442 -5.2298 -5.2298 -4.7530 -4.7530 -2.9442 -2.9442 -1.8625 -1.8625 -1.7671 -1.7671 -0.6633 -0.6633 -0.4594 -0.4594 -0.3976 -0.3976 -0.1060 -0.1060 0.4088 0.4088 0.4319 0.4319 0.6780 0.6780 0.8751 0.8751 0.9515 0.9515 6.4659 6.4659 k =-0.2564 0.2564 0.7071 ( 4742 PWs) bands (ev): -12.7057 -12.7057 -12.6848 -12.6848 -12.6744 -12.6744 -11.5663 -11.5663 -6.9142 -6.9142 -6.7340 -6.7340 -5.2388 -5.2388 -5.2299 -5.2299 -4.7536 -4.7536 -2.9642 -2.9642 -1.8816 -1.8816 -1.7865 -1.7865 -0.6895 -0.6895 -0.4507 -0.4507 -0.3719 -0.3719 -0.1034 -0.1034 0.4208 0.4208 0.4480 0.4480 0.7013 0.7013 0.8940 0.8940 0.9659 0.9659 6.4372 6.4372 k =-0.2692 0.2692 0.7071 ( 4740 PWs) bands (ev): -12.7031 -12.7031 -12.6871 -12.6871 -12.6731 -12.6731 -11.5678 -11.5678 -6.9129 -6.9129 -6.7339 -6.7339 -5.2340 -5.2340 -5.2298 -5.2298 -4.7543 -4.7543 -2.9844 -2.9844 -1.9004 -1.9004 -1.8056 -1.8056 -0.7151 -0.7151 -0.4397 -0.4397 -0.3459 -0.3459 -0.1008 -0.1008 0.4331 0.4331 0.4632 0.4632 0.7236 0.7236 0.9127 0.9127 0.9795 0.9795 6.4059 6.4059 k =-0.2821 0.2821 0.7071 ( 4744 PWs) bands (ev): -12.7005 -12.7005 -12.6894 -12.6894 -12.6718 -12.6718 -11.5691 -11.5691 -6.9117 -6.9117 -6.7337 -6.7337 -5.2313 -5.2313 -5.2280 -5.2280 -4.7550 -4.7550 -3.0044 -3.0044 -1.9188 -1.9188 -1.8244 -1.8244 -0.7398 -0.7398 -0.4267 -0.4267 -0.3201 -0.3201 -0.0983 -0.0983 0.4458 0.4458 0.4776 0.4776 0.7447 0.7447 0.9311 0.9311 0.9923 0.9923 6.3725 6.3725 k =-0.2949 0.2949 0.7071 ( 4740 PWs) bands (ev): -12.6980 -12.6980 -12.6916 -12.6916 -12.6707 -12.6707 -11.5702 -11.5702 -6.9106 -6.9106 -6.7336 -6.7336 -5.2311 -5.2311 -5.2238 -5.2238 -4.7557 -4.7557 -3.0241 -3.0241 -1.9366 -1.9366 -1.8427 -1.8427 -0.7637 -0.7637 -0.4117 -0.4117 -0.2944 -0.2944 -0.0958 -0.0958 0.4588 0.4588 0.4913 0.4913 0.7648 0.7648 0.9489 0.9489 1.0043 1.0043 6.3373 6.3373 k =-0.3077 0.3077 0.7071 ( 4740 PWs) bands (ev): -12.6955 -12.6955 -12.6937 -12.6937 -12.6697 -12.6697 -11.5711 -11.5711 -6.9096 -6.9096 -6.7334 -6.7334 -5.2313 -5.2313 -5.2197 -5.2197 -4.7564 -4.7564 -3.0434 -3.0434 -1.9538 -1.9538 -1.8604 -1.8604 -0.7866 -0.7866 -0.3953 -0.3953 -0.2691 -0.2691 -0.0933 -0.0933 0.4720 0.4720 0.5042 0.5042 0.7837 0.7837 0.9660 0.9660 1.0154 1.0154 6.3006 6.3006 k =-0.3205 0.3205 0.7071 ( 4748 PWs) bands (ev): -12.6958 -12.6958 -12.6930 -12.6930 -12.6689 -12.6689 -11.5719 -11.5719 -6.9088 -6.9088 -6.7332 -6.7332 -5.2316 -5.2316 -5.2159 -5.2159 -4.7570 -4.7570 -3.0621 -3.0621 -1.9703 -1.9703 -1.8774 -1.8774 -0.8086 -0.8086 -0.3776 -0.3776 -0.2444 -0.2444 -0.0909 -0.0909 0.4853 0.4853 0.5163 0.5163 0.8015 0.8015 0.9824 0.9824 1.0256 1.0256 6.2630 6.2630 k =-0.3333 0.3333 0.7071 ( 4764 PWs) bands (ev): -12.6979 -12.6979 -12.6907 -12.6907 -12.6681 -12.6681 -11.5724 -11.5724 -6.9080 -6.9080 -6.7331 -6.7331 -5.2320 -5.2320 -5.2123 -5.2123 -4.7577 -4.7577 -3.0800 -3.0800 -1.9860 -1.9860 -1.8937 -1.8937 -0.8295 -0.8295 -0.3590 -0.3590 -0.2204 -0.2204 -0.0886 -0.0886 0.4985 0.4985 0.5277 0.5277 0.8179 0.8179 0.9978 0.9978 1.0349 1.0349 6.2249 6.2249 k =-0.3462 0.3462 0.7071 ( 4764 PWs) bands (ev): -12.6998 -12.6998 -12.6885 -12.6885 -12.6674 -12.6674 -11.5729 -11.5729 -6.9073 -6.9073 -6.7329 -6.7329 -5.2324 -5.2324 -5.2092 -5.2092 -4.7583 -4.7583 -3.0971 -3.0971 -2.0008 -2.0008 -1.9090 -1.9090 -0.8492 -0.8492 -0.3398 -0.3398 -0.1973 -0.1973 -0.0864 -0.0864 0.5115 0.5115 0.5384 0.5384 0.8331 0.8331 1.0123 1.0123 1.0435 1.0435 6.1869 6.1869 k =-0.3590 0.3590 0.7071 ( 4768 PWs) bands (ev): -12.7016 -12.7016 -12.6863 -12.6863 -12.6668 -12.6668 -11.5732 -11.5732 -6.9067 -6.9067 -6.7328 -6.7328 -5.2328 -5.2328 -5.2063 -5.2063 -4.7590 -4.7590 -3.1132 -3.1132 -2.0147 -2.0147 -1.9235 -1.9235 -0.8676 -0.8676 -0.3205 -0.3205 -0.1753 -0.1753 -0.0843 -0.0843 0.5242 0.5242 0.5484 0.5484 0.8470 0.8470 1.0257 1.0257 1.0513 1.0513 6.1494 6.1494 k =-0.3718 0.3718 0.7071 ( 4776 PWs) bands (ev): -12.7033 -12.7033 -12.6844 -12.6844 -12.6664 -12.6664 -11.5733 -11.5733 -6.9062 -6.9062 -6.7326 -6.7326 -5.2332 -5.2332 -5.2038 -5.2038 -4.7595 -4.7595 -3.1281 -3.1281 -2.0276 -2.0276 -1.9369 -1.9369 -0.8848 -0.8848 -0.3012 -0.3012 -0.1546 -0.1546 -0.0823 -0.0823 0.5364 0.5364 0.5576 0.5576 0.8595 0.8595 1.0378 1.0378 1.0585 1.0585 6.1130 6.1130 k =-0.3846 0.3846 0.7071 ( 4768 PWs) bands (ev): -12.7049 -12.7049 -12.6825 -12.6825 -12.6660 -12.6660 -11.5734 -11.5734 -6.9058 -6.9058 -6.7324 -6.7324 -5.2337 -5.2337 -5.2015 -5.2015 -4.7601 -4.7601 -3.1419 -3.1419 -2.0394 -2.0394 -1.9492 -1.9492 -0.9005 -0.9005 -0.2825 -0.2825 -0.1353 -0.1353 -0.0804 -0.0804 0.5481 0.5481 0.5661 0.5661 0.8707 0.8707 1.0485 1.0485 1.0652 1.0652 6.0783 6.0783 k =-0.3974 0.3974 0.7071 ( 4784 PWs) bands (ev): -12.7063 -12.7063 -12.6808 -12.6808 -12.6657 -12.6657 -11.5734 -11.5734 -6.9054 -6.9054 -6.7323 -6.7323 -5.2341 -5.2341 -5.1996 -5.1996 -4.7606 -4.7606 -3.1544 -3.1544 -2.0502 -2.0502 -1.9604 -1.9604 -0.9148 -0.9148 -0.2646 -0.2646 -0.1176 -0.1176 -0.0787 -0.0787 0.5588 0.5588 0.5739 0.5739 0.8806 0.8806 1.0576 1.0576 1.0717 1.0717 6.0456 6.0456 k =-0.4103 0.4103 0.7071 ( 4776 PWs) bands (ev): -12.7076 -12.7076 -12.6793 -12.6793 -12.6654 -12.6654 -11.5733 -11.5733 -6.9052 -6.9052 -6.7322 -6.7322 -5.2345 -5.2345 -5.1980 -5.1980 -4.7610 -4.7610 -3.1656 -3.1656 -2.0598 -2.0598 -1.9704 -1.9704 -0.9275 -0.9275 -0.2479 -0.2479 -0.1016 -0.1016 -0.0771 -0.0771 0.5687 0.5687 0.5810 0.5810 0.8892 0.8892 1.0648 1.0648 1.0782 1.0782 6.0155 6.0155 k =-0.4231 0.4231 0.7071 ( 4784 PWs) bands (ev): -12.7087 -12.7087 -12.6780 -12.6780 -12.6652 -12.6652 -11.5732 -11.5732 -6.9049 -6.9049 -6.7321 -6.7321 -5.2349 -5.2349 -5.1966 -5.1966 -4.7614 -4.7614 -3.1754 -3.1754 -2.0681 -2.0681 -1.9791 -1.9791 -0.9387 -0.9387 -0.2327 -0.2327 -0.0878 -0.0878 -0.0755 -0.0755 0.5773 0.5773 0.5874 0.5874 0.8965 0.8965 1.0703 1.0703 1.0845 1.0845 5.9884 5.9884 k =-0.4359 0.4359 0.7071 ( 4776 PWs) bands (ev): -12.7097 -12.7097 -12.6769 -12.6769 -12.6651 -12.6651 -11.5731 -11.5731 -6.9048 -6.9048 -6.7320 -6.7320 -5.2353 -5.2353 -5.1955 -5.1955 -4.7617 -4.7617 -3.1838 -3.1838 -2.0753 -2.0753 -1.9866 -1.9866 -0.9483 -0.9483 -0.2193 -0.2193 -0.0776 -0.0776 -0.0723 -0.0723 0.5845 0.5845 0.5932 0.5932 0.9026 0.9026 1.0744 1.0744 1.0904 1.0904 5.9647 5.9647 k =-0.4487 0.4487 0.7071 ( 4772 PWs) bands (ev): -12.7105 -12.7105 -12.6759 -12.6759 -12.6650 -12.6650 -11.5729 -11.5729 -6.9046 -6.9046 -6.7319 -6.7319 -5.2356 -5.2356 -5.1946 -5.1946 -4.7620 -4.7620 -3.1907 -3.1907 -2.0812 -2.0812 -1.9928 -1.9928 -0.9561 -0.9561 -0.2079 -0.2079 -0.0748 -0.0748 -0.0641 -0.0641 0.5903 0.5903 0.5984 0.5984 0.9075 0.9075 1.0774 1.0774 1.0954 1.0954 5.9449 5.9449 k =-0.4615 0.4615 0.7071 ( 4772 PWs) bands (ev): -12.7112 -12.7112 -12.6752 -12.6752 -12.6649 -12.6649 -11.5728 -11.5728 -6.9045 -6.9045 -6.7318 -6.7318 -5.2359 -5.2359 -5.1939 -5.1939 -4.7622 -4.7622 -3.1960 -3.1960 -2.0858 -2.0858 -1.9976 -1.9976 -0.9623 -0.9623 -0.1989 -0.1989 -0.0737 -0.0737 -0.0564 -0.0564 0.5945 0.5945 0.6028 0.6028 0.9112 0.9112 1.0797 1.0797 1.0995 1.0995 5.9292 5.9292 k =-0.4744 0.4744 0.7071 ( 4780 PWs) bands (ev): -12.7116 -12.7116 -12.6746 -12.6746 -12.6648 -12.6648 -11.5727 -11.5727 -6.9045 -6.9045 -6.7318 -6.7318 -5.2360 -5.2360 -5.1934 -5.1934 -4.7624 -4.7624 -3.1999 -3.1999 -2.0891 -2.0891 -2.0010 -2.0010 -0.9667 -0.9667 -0.1922 -0.1922 -0.0731 -0.0731 -0.0507 -0.0507 0.5974 0.5974 0.6061 0.6061 0.9139 0.9139 1.0812 1.0812 1.1025 1.1025 5.9177 5.9177 k =-0.4872 0.4872 0.7071 ( 4780 PWs) bands (ev): -12.7119 -12.7119 -12.6743 -12.6743 -12.6648 -12.6648 -11.5727 -11.5727 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1931 -5.1931 -4.7625 -4.7625 -3.2022 -3.2022 -2.0911 -2.0911 -2.0031 -2.0031 -0.9694 -0.9694 -0.1882 -0.1882 -0.0728 -0.0728 -0.0473 -0.0473 0.5991 0.5991 0.6082 0.6082 0.9154 0.9154 1.0821 1.0821 1.1043 1.1043 5.9108 5.9108 k =-0.5000 0.5000 0.7071 ( 4816 PWs) bands (ev): -12.7120 -12.7120 -12.6742 -12.6742 -12.6648 -12.6648 -11.5726 -11.5726 -6.9044 -6.9044 -6.7317 -6.7317 -5.2362 -5.2362 -5.1930 -5.1930 -4.7625 -4.7625 -3.2030 -3.2030 -2.0917 -2.0917 -2.0038 -2.0038 -0.9703 -0.9703 -0.1869 -0.1869 -0.0727 -0.0727 -0.0461 -0.0461 0.5996 0.5996 0.6089 0.6089 0.9159 0.9159 1.0823 1.0823 1.1049 1.1049 5.9084 5.9084 Writing output data file HgxNClx2.save init_run : 0.48s CPU 0.84s WALL ( 1 calls) electrons : 125.06s CPU 128.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 125.05s CPU 128.19s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 382 calls) cegterg : 114.58s CPU 116.19s WALL ( 382 calls) Called by sum_band: Called by *egterg: h_psi : 69.08s CPU 70.48s WALL ( 6246 calls) s_psi : 4.77s CPU 4.75s WALL ( 6246 calls) g_psi : 0.29s CPU 0.28s WALL ( 5482 calls) cdiaghg : 32.41s CPU 32.84s WALL ( 5864 calls) cegterg:over : 5.73s CPU 5.84s WALL ( 5482 calls) cegterg:upda : 4.33s CPU 4.40s WALL ( 5482 calls) cegterg:last : 3.14s CPU 3.26s WALL ( 1522 calls) cdiaghg:chol : 1.91s CPU 1.90s WALL ( 5864 calls) cdiaghg:inve : 0.94s CPU 1.01s WALL ( 5864 calls) cdiaghg:para : 2.02s CPU 1.97s WALL ( 11728 calls) Called by h_psi: h_psi:vloc : 58.58s CPU 59.90s WALL ( 6246 calls) h_psi:vnl : 10.31s CPU 10.34s WALL ( 6246 calls) add_vuspsi : 5.22s CPU 5.31s WALL ( 6246 calls) General routines calbec : 5.08s CPU 5.01s WALL ( 6246 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.66s CPU 53.94s WALL ( 802112 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.25s WALL ( 764 calls) Parallel routines fft_scatter : 23.33s CPU 24.04s WALL ( 802135 calls) PWSCF : 2m22.81s CPU 2m44.16s WALL This run was terminated on: 17: 1: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=