Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:18:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaIF.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 34 9 3077 1536 237 Max 54 35 10 3084 1553 246 Sum 1941 1225 357 110969 55499 8673 bravais-lattice index = 14 lattice parameter (alat) = 8.7948 a.u. unit-cell volume = 1163.7815 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.794785 celldm(2)= 1.000000 celldm(3)= 1.710786 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.710786 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.584527 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 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 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) F 7.00 18.99840 F( 1.00) I 7.00 126.90450 I( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 -0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 -0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 -0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 -0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 -0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 -0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 -0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 -0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 -0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 -0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 -0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 -0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 -0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 -0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 -0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 -0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 -0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 -0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 -0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0146132), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0292263), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0438395), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0584527), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0730658), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0876790), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1022921), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.1169053), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.1315185), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.1461316), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1607448), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.1753580), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.1899711), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.2045843), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.2191974), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2338106), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2484238), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2630369), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2776501), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2922633), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.2922633), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.2922633), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.2922633), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.2922633), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.2922633), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.2922633), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.2922633), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.2922633), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.2922633), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.2922633), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.2922633), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.2922633), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.2922633), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.2922633), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.2922633), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.2922633), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.2922633), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.2922633), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.2922633), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.2922633), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.2922633), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.2922633), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.2922633), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.2922633), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.2922633), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.2922633), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.2922633), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.2922633), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.2922633), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.2922633), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.2922633), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.2922633), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.2922633), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.2922633), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.2922633), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.2922633), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.2922633), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.2922633), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.2922633), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.2922633), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.2922633), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.2922633), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.2922633), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.2922633), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.2922633), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.2922633), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.2922633), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.2922633), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.2922633), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.2922633), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.2922633), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.2922633), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.2922633), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.2922633), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.2922633), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.2922633), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.2922633), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.2922633), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.2922633), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.2922633), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.2922633), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.2922633), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.2922633), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.2922633), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.2922633), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.2922633), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.2922633), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.2922633), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.2922633), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.2922633), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.2922633), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.2922633), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.2922633), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.2922633), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.2922633), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.2922633), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.2922633), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.2922633), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.2922633), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.2922633), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.2922633), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.2922633), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.2922633), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.2922633), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.2922633), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.2922633), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.2922633), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.2922633), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.2922633), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.2922633), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.2922633), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.2922633), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.2922633), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.2922633), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.2922633), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.2922633), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.2922633), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.2922633), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.2922633), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.2922633), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.2922633), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.2922633), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.2922633), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.2922633), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.2922633), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.2922633), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.2922633), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.2922633), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.2922633), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.2922633), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.2922633), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.2922633), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.2922633), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.2922633), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.2922633), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.2922633), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.2922633), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.2922633), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.2922633), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0146132), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0292263), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0438395), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.0584527), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.0730658), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.0876790), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.1022921), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.1169053), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.1315185), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.1461316), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.1607448), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.1753580), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.1899711), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.2045843), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.2191974), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.2338106), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.2484238), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.2630369), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.2776501), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.2922633), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0146132), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0292263), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0438395), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.0584527), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.0730658), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.0876790), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.1022921), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.1169053), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.1315185), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.1461316), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.1607448), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.1753580), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.1899711), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.2045843), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.2191974), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.2338106), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.2484238), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.2630369), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.2776501), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.2922633), wk = 0.0033223 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 2) = ( 0.0000000 0.0147059 0.0000000), wk = 0.0033223 k( 3) = ( 0.0000000 0.0294118 0.0000000), wk = 0.0033223 k( 4) = ( 0.0000000 0.0441177 0.0000000), wk = 0.0033223 k( 5) = ( 0.0000000 0.0588235 -0.0000000), wk = 0.0033223 k( 6) = ( 0.0000000 0.0735294 -0.0000000), wk = 0.0033223 k( 7) = ( 0.0000000 0.0882353 -0.0000000), wk = 0.0033223 k( 8) = ( 0.0000000 0.1029412 -0.0000000), wk = 0.0033223 k( 9) = ( 0.0000000 0.1176471 -0.0000000), wk = 0.0033223 k( 10) = ( 0.0000000 0.1323529 -0.0000000), wk = 0.0033223 k( 11) = ( 0.0000000 0.1470588 -0.0000000), wk = 0.0033223 k( 12) = ( 0.0000000 0.1617647 0.0000000), wk = 0.0033223 k( 13) = ( 0.0000000 0.1764706 -0.0000000), wk = 0.0033223 k( 14) = ( 0.0000000 0.1911765 -0.0000000), wk = 0.0033223 k( 15) = ( 0.0000000 0.2058823 0.0000000), wk = 0.0033223 k( 16) = ( 0.0000000 0.2205882 -0.0000000), wk = 0.0033223 k( 17) = ( 0.0000000 0.2352941 -0.0000000), wk = 0.0033223 k( 18) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.0000000 0.2647059 -0.0000000), wk = 0.0033223 k( 20) = ( 0.0000000 0.2794118 -0.0000000), wk = 0.0033223 k( 21) = ( 0.0000000 0.2941177 -0.0000000), wk = 0.0033223 k( 22) = ( 0.0000000 0.3088235 0.0000000), wk = 0.0033223 k( 23) = ( 0.0000000 0.3235294 0.0000000), wk = 0.0033223 k( 24) = ( 0.0000000 0.3382353 -0.0000000), wk = 0.0033223 k( 25) = ( 0.0000000 0.3529412 -0.0000000), wk = 0.0033223 k( 26) = ( 0.0000000 0.3676471 0.0000000), wk = 0.0033223 k( 27) = ( 0.0000000 0.3823529 -0.0000000), wk = 0.0033223 k( 28) = ( 0.0000000 0.3970588 0.0000000), wk = 0.0033223 k( 29) = ( 0.0000000 0.4117647 0.0000000), wk = 0.0033223 k( 30) = ( 0.0000000 0.4264706 -0.0000000), wk = 0.0033223 k( 31) = ( 0.0000000 0.4411765 -0.0000000), wk = 0.0033223 k( 32) = ( 0.0000000 0.4558823 -0.0000000), wk = 0.0033223 k( 33) = ( 0.0000000 0.4705882 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0000000 0.4852941 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0147059 0.5000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0294118 0.5000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0441177 0.5000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0033223 k( 41) = ( 0.0735294 0.5000000 -0.0000000), wk = 0.0033223 k( 42) = ( 0.0882353 0.5000000 -0.0000000), wk = 0.0033223 k( 43) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0033223 k( 44) = ( 0.1176471 0.5000000 -0.0000000), wk = 0.0033223 k( 45) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0033223 k( 46) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0033223 k( 47) = ( 0.1617647 0.5000000 -0.0000000), wk = 0.0033223 k( 48) = ( 0.1764706 0.5000000 -0.0000000), wk = 0.0033223 k( 49) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0033223 k( 50) = ( 0.2058823 0.5000000 -0.0000000), wk = 0.0033223 k( 51) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0033223 k( 52) = ( 0.2352941 0.5000000 -0.0000000), wk = 0.0033223 k( 53) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0033223 k( 54) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0033223 k( 55) = ( 0.2794118 0.5000000 -0.0000000), wk = 0.0033223 k( 56) = ( 0.2941177 0.5000000 -0.0000000), wk = 0.0033223 k( 57) = ( 0.3088235 0.5000000 -0.0000000), wk = 0.0033223 k( 58) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0033223 k( 59) = ( 0.3382353 0.5000000 -0.0000000), wk = 0.0033223 k( 60) = ( 0.3529412 0.5000000 -0.0000000), wk = 0.0033223 k( 61) = ( 0.3676471 0.5000000 -0.0000000), wk = 0.0033223 k( 62) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0033223 k( 63) = ( 0.3970588 0.5000000 -0.0000000), wk = 0.0033223 k( 64) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0033223 k( 65) = ( 0.4264706 0.5000000 -0.0000000), wk = 0.0033223 k( 66) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0033223 k( 67) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0033223 k( 68) = ( 0.4705882 0.5000000 -0.0000000), wk = 0.0033223 k( 69) = ( 0.4852941 0.5000000 -0.0000000), wk = 0.0033223 k( 70) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 71) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 72) = ( 0.4895833 0.4895833 -0.0000000), wk = 0.0033223 k( 73) = ( 0.4791667 0.4791667 -0.0000000), wk = 0.0033223 k( 74) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4479167 0.4479167 0.0000000), wk = 0.0033223 k( 77) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0033223 k( 81) = ( 0.3958333 0.3958333 -0.0000000), wk = 0.0033223 k( 82) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0033223 k( 83) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.3645833 0.3645833 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3541667 0.3541667 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0033223 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3020833 0.3020833 -0.0000000), wk = 0.0033223 k( 91) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033223 k( 92) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0033223 k( 93) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033223 k( 94) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0033223 k( 95) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0033223 k( 97) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033223 k( 98) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0033223 k( 99) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033223 k( 100) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0033223 k( 101) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033223 k( 102) = ( 0.1770833 0.1770833 -0.0000000), wk = 0.0033223 k( 103) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033223 k( 104) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033223 k( 108) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033223 k( 110) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0033223 k( 111) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033223 k( 112) = ( 0.0729167 0.0729167 -0.0000000), wk = 0.0033223 k( 113) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033223 k( 114) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0104167 0.0104167 0.0000000), wk = 0.0033223 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033223 k( 122) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033223 k( 123) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 142) = ( 0.0000000 0.0147059 0.5000000), wk = 0.0033223 k( 143) = ( 0.0000000 0.0294118 0.5000000), wk = 0.0033223 k( 144) = ( 0.0000000 0.0441177 0.5000000), wk = 0.0033223 k( 145) = ( 0.0000000 0.0588235 0.5000000), wk = 0.0033223 k( 146) = ( 0.0000000 0.0735294 0.5000000), wk = 0.0033223 k( 147) = ( 0.0000000 0.0882353 0.5000000), wk = 0.0033223 k( 148) = ( 0.0000000 0.1029412 0.5000000), wk = 0.0033223 k( 149) = ( 0.0000000 0.1176471 0.5000000), wk = 0.0033223 k( 150) = ( 0.0000000 0.1323529 0.5000000), wk = 0.0033223 k( 151) = ( 0.0000000 0.1470588 0.5000000), wk = 0.0033223 k( 152) = ( 0.0000000 0.1617647 0.5000000), wk = 0.0033223 k( 153) = ( 0.0000000 0.1764706 0.5000000), wk = 0.0033223 k( 154) = ( 0.0000000 0.1911765 0.5000000), wk = 0.0033223 k( 155) = ( 0.0000000 0.2058823 0.5000000), wk = 0.0033223 k( 156) = ( 0.0000000 0.2205882 0.5000000), wk = 0.0033223 k( 157) = ( 0.0000000 0.2352941 0.5000000), wk = 0.0033223 k( 158) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0033223 k( 159) = ( 0.0000000 0.2647059 0.5000000), wk = 0.0033223 k( 160) = ( 0.0000000 0.2794118 0.5000000), wk = 0.0033223 k( 161) = ( 0.0000000 0.2941177 0.5000000), wk = 0.0033223 k( 162) = ( 0.0000000 0.3088235 0.5000000), wk = 0.0033223 k( 163) = ( 0.0000000 0.3235294 0.5000000), wk = 0.0033223 k( 164) = ( 0.0000000 0.3382353 0.5000000), wk = 0.0033223 k( 165) = ( 0.0000000 0.3529412 0.5000000), wk = 0.0033223 k( 166) = ( 0.0000000 0.3676471 0.5000000), wk = 0.0033223 k( 167) = ( 0.0000000 0.3823529 0.5000000), wk = 0.0033223 k( 168) = ( 0.0000000 0.3970588 0.5000000), wk = 0.0033223 k( 169) = ( 0.0000000 0.4117647 0.5000000), wk = 0.0033223 k( 170) = ( 0.0000000 0.4264706 0.5000000), wk = 0.0033223 k( 171) = ( 0.0000000 0.4411765 0.5000000), wk = 0.0033223 k( 172) = ( 0.0000000 0.4558823 0.5000000), wk = 0.0033223 k( 173) = ( 0.0000000 0.4705882 0.5000000), wk = 0.0033223 k( 174) = ( 0.0000000 0.4852941 0.5000000), wk = 0.0033223 k( 175) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 176) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 177) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0033223 k( 178) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0033223 k( 179) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0033223 k( 180) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0033223 k( 181) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0033223 k( 182) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0033223 k( 183) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0033223 k( 184) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0033223 k( 185) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0033223 k( 186) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0033223 k( 187) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0033223 k( 188) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0033223 k( 189) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0033223 k( 190) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0033223 k( 191) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0033223 k( 192) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0033223 k( 193) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0033223 k( 194) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0033223 k( 195) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0033223 k( 196) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0033223 k( 197) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0033223 k( 198) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0033223 k( 199) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0033223 k( 200) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0033223 k( 201) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0033223 k( 202) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0033223 k( 203) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0033223 k( 204) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0033223 k( 205) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0033223 k( 206) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0033223 k( 207) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0033223 k( 208) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0033223 k( 209) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0033223 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 211) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 212) = ( 0.4895833 0.4895833 0.5000000), wk = 0.0033223 k( 213) = ( 0.4791667 0.4791667 0.5000000), wk = 0.0033223 k( 214) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0033223 k( 215) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0033223 k( 216) = ( 0.4479167 0.4479167 0.5000000), wk = 0.0033223 k( 217) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0033223 k( 218) = ( 0.4270833 0.4270833 0.5000000), wk = 0.0033223 k( 219) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0033223 k( 220) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0033223 k( 221) = ( 0.3958333 0.3958333 0.5000000), wk = 0.0033223 k( 222) = ( 0.3854167 0.3854167 0.5000000), wk = 0.0033223 k( 223) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0033223 k( 224) = ( 0.3645833 0.3645833 0.5000000), wk = 0.0033223 k( 225) = ( 0.3541667 0.3541667 0.5000000), wk = 0.0033223 k( 226) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0033223 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033223 k( 228) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0033223 k( 229) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033223 k( 230) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0033223 k( 231) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033223 k( 232) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0033223 k( 233) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033223 k( 234) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0033223 k( 235) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033223 k( 236) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0033223 k( 237) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033223 k( 238) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0033223 k( 239) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033223 k( 240) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0033223 k( 241) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033223 k( 242) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0033223 k( 243) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033223 k( 244) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0033223 k( 245) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033223 k( 246) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0033223 k( 247) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033223 k( 248) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0033223 k( 249) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033223 k( 250) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0033223 k( 251) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033223 k( 252) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0033223 k( 253) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033223 k( 254) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0033223 k( 255) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033223 k( 256) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0033223 k( 257) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033223 k( 258) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0033223 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 260) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033223 k( 261) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0033223 k( 262) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033223 k( 263) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0033223 k( 264) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033223 k( 265) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0033223 k( 266) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033223 k( 267) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0033223 k( 268) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033223 k( 269) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0033223 k( 270) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033223 k( 271) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0033223 k( 272) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033223 k( 273) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0033223 k( 274) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033223 k( 275) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0033223 k( 276) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033223 k( 277) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0033223 k( 278) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033223 k( 279) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0033223 k( 280) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 281) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033223 k( 282) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0033223 k( 283) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0033223 k( 284) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0033223 k( 285) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0033223 k( 286) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0033223 k( 287) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0033223 k( 288) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0033223 k( 289) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0033223 k( 290) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0033223 k( 291) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033223 k( 292) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0033223 k( 293) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0033223 k( 294) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0033223 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0033223 k( 296) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0033223 k( 297) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0033223 k( 298) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0033223 k( 299) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0033223 k( 300) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0033223 k( 301) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 Dense grid: 110969 G-vectors FFT dimensions: ( 50, 50, 90) Smooth grid: 55499 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 420, 58) NL pseudopotentials 0.53 Mb ( 210, 166) Each V/rho on FFT grid 0.11 Mb ( 7500) Each G-vector array 0.02 Mb ( 3084) G-vector shells 0.01 Mb ( 1516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.49 Mb ( 420, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 166, 2, 58) The potential is recalculated from file : ./BaIF.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 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 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.8 secs Computing kpt #: 16 total cpu time spent up to now is 12.4 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.2 secs Computing kpt #: 22 total cpu time spent up to now is 15.7 secs Computing kpt #: 23 total cpu time spent up to now is 16.3 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.5 secs Computing kpt #: 26 total cpu time spent up to now is 18.1 secs Computing kpt #: 27 total cpu time spent up to now is 18.6 secs Computing kpt #: 28 total cpu time spent up to now is 19.2 secs Computing kpt #: 29 total cpu time spent up to now is 19.7 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 20.8 secs Computing kpt #: 32 total cpu time spent up to now is 21.3 secs Computing kpt #: 33 total cpu time spent up to now is 21.9 secs Computing kpt #: 34 total cpu time spent up to now is 22.5 secs Computing kpt #: 35 total cpu time spent up to now is 23.0 secs Computing kpt #: 36 total cpu time spent up to now is 23.6 secs Computing kpt #: 37 total cpu time spent up to now is 24.4 secs Computing kpt #: 38 total cpu time spent up to now is 25.2 secs Computing kpt #: 39 total cpu time spent up to now is 25.8 secs Computing kpt #: 40 total cpu time spent up to now is 26.4 secs Computing kpt #: 41 total cpu time spent up to now is 27.0 secs Computing kpt #: 42 total cpu time spent up to now is 27.6 secs Computing kpt #: 43 total cpu time spent up to now is 28.2 secs Computing kpt #: 44 total cpu time spent up to now is 28.8 secs Computing kpt #: 45 total cpu time spent up to now is 29.4 secs Computing kpt #: 46 total cpu time spent up to now is 30.0 secs Computing kpt #: 47 total cpu time spent up to now is 30.6 secs Computing kpt #: 48 total cpu time spent up to now is 31.2 secs Computing kpt #: 49 total cpu time spent up to now is 31.8 secs Computing kpt #: 50 total cpu time spent up to now is 32.4 secs Computing kpt #: 51 total cpu time spent up to now is 33.1 secs Computing kpt #: 52 total cpu time spent up to now is 33.8 secs Computing kpt #: 53 total cpu time spent up to now is 34.4 secs Computing kpt #: 54 total cpu time spent up to now is 35.1 secs Computing kpt #: 55 total cpu time spent up to now is 35.8 secs Computing kpt #: 56 total cpu time spent up to now is 36.5 secs Computing kpt #: 57 total cpu time spent up to now is 37.2 secs Computing kpt #: 58 total cpu time spent up to now is 37.9 secs Computing kpt #: 59 total cpu time spent up to now is 38.6 secs Computing kpt #: 60 total cpu time spent up to now is 39.3 secs Computing kpt #: 61 total cpu time spent up to now is 40.1 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 63 total cpu time spent up to now is 43.2 secs Computing kpt #: 64 total cpu time spent up to now is 44.2 secs Computing kpt #: 65 total cpu time spent up to now is 45.9 secs Computing kpt #: 66 total cpu time spent up to now is 46.9 secs Computing kpt #: 67 total cpu time spent up to now is 48.1 secs Computing kpt #: 68 total cpu time spent up to now is 49.9 secs Computing kpt #: 69 total cpu time spent up to now is 51.3 secs Computing kpt #: 70 total cpu time spent up to now is 52.0 secs Computing kpt #: 71 total cpu time spent up to now is 52.8 secs Computing kpt #: 72 total cpu time spent up to now is 53.8 secs Computing kpt #: 73 total cpu time spent up to now is 54.5 secs Computing kpt #: 74 total cpu time spent up to now is 55.2 secs Computing kpt #: 75 total cpu time spent up to now is 55.9 secs Computing kpt #: 76 total cpu time spent up to now is 56.6 secs Computing kpt #: 77 total cpu time spent up to now is 57.2 secs Computing kpt #: 78 total cpu time spent up to now is 57.8 secs Computing kpt #: 79 total cpu time spent up to now is 58.4 secs Computing kpt #: 80 total cpu time spent up to now is 59.0 secs Computing kpt #: 81 total cpu time spent up to now is 59.6 secs Computing kpt #: 82 total cpu time spent up to now is 60.2 secs Computing kpt #: 83 total cpu time spent up to now is 60.8 secs Computing kpt #: 84 total cpu time spent up to now is 61.3 secs Computing kpt #: 85 total cpu time spent up to now is 61.9 secs Computing kpt #: 86 total cpu time spent up to now is 62.5 secs Computing kpt #: 87 total cpu time spent up to now is 63.1 secs Computing kpt #: 88 total cpu time spent up to now is 63.7 secs Computing kpt #: 89 total cpu time spent up to now is 64.3 secs Computing kpt #: 90 total cpu time spent up to now is 64.9 secs Computing kpt #: 91 total cpu time spent up to now is 65.5 secs Computing kpt #: 92 total cpu time spent up to now is 66.1 secs Computing kpt #: 93 total cpu time spent up to now is 66.8 secs Computing kpt #: 94 total cpu time spent up to now is 67.4 secs Computing kpt #: 95 total cpu time spent up to now is 68.0 secs Computing kpt #: 96 total cpu time spent up to now is 68.6 secs Computing kpt #: 97 total cpu time spent up to now is 69.2 secs Computing kpt #: 98 total cpu time spent up to now is 69.8 secs Computing kpt #: 99 total cpu time spent up to now is 70.4 secs Computing kpt #: 100 total cpu time spent up to now is 70.9 secs Computing kpt #: 101 total cpu time spent up to now is 71.5 secs Computing kpt #: 102 total cpu time spent up to now is 72.0 secs Computing kpt #: 103 total cpu time spent up to now is 72.6 secs Computing kpt #: 104 total cpu time spent up to now is 73.2 secs Computing kpt #: 105 total cpu time spent up to now is 73.9 secs Computing kpt #: 106 total cpu time spent up to now is 74.5 secs Computing kpt #: 107 total cpu time spent up to now is 75.1 secs Computing kpt #: 108 total cpu time spent up to now is 75.7 secs Computing kpt #: 109 total cpu time spent up to now is 76.2 secs Computing kpt #: 110 total cpu time spent up to now is 76.8 secs Computing kpt #: 111 total cpu time spent up to now is 77.4 secs Computing kpt #: 112 total cpu time spent up to now is 78.0 secs Computing kpt #: 113 total cpu time spent up to now is 78.6 secs Computing kpt #: 114 total cpu time spent up to now is 79.2 secs Computing kpt #: 115 total cpu time spent up to now is 79.8 secs Computing kpt #: 116 total cpu time spent up to now is 80.4 secs Computing kpt #: 117 total cpu time spent up to now is 81.0 secs Computing kpt #: 118 total cpu time spent up to now is 81.6 secs Computing kpt #: 119 total cpu time spent up to now is 82.2 secs Computing kpt #: 120 total cpu time spent up to now is 82.8 secs Computing kpt #: 121 total cpu time spent up to now is 83.4 secs Computing kpt #: 122 total cpu time spent up to now is 84.0 secs Computing kpt #: 123 total cpu time spent up to now is 84.6 secs Computing kpt #: 124 total cpu time spent up to now is 85.2 secs Computing kpt #: 125 total cpu time spent up to now is 85.8 secs Computing kpt #: 126 total cpu time spent up to now is 86.5 secs Computing kpt #: 127 total cpu time spent up to now is 87.0 secs Computing kpt #: 128 total cpu time spent up to now is 87.6 secs Computing kpt #: 129 total cpu time spent up to now is 88.2 secs Computing kpt #: 130 total cpu time spent up to now is 88.8 secs Computing kpt #: 131 total cpu time spent up to now is 89.4 secs Computing kpt #: 132 total cpu time spent up to now is 90.2 secs Computing kpt #: 133 total cpu time spent up to now is 90.8 secs Computing kpt #: 134 total cpu time spent up to now is 91.4 secs Computing kpt #: 135 total cpu time spent up to now is 92.0 secs Computing kpt #: 136 total cpu time spent up to now is 92.6 secs Computing kpt #: 137 total cpu time spent up to now is 93.3 secs Computing kpt #: 138 total cpu time spent up to now is 93.9 secs Computing kpt #: 139 total cpu time spent up to now is 94.5 secs Computing kpt #: 140 total cpu time spent up to now is 95.2 secs Computing kpt #: 141 total cpu time spent up to now is 95.9 secs Computing kpt #: 142 total cpu time spent up to now is 96.5 secs Computing kpt #: 143 total cpu time spent up to now is 97.2 secs Computing kpt #: 144 total cpu time spent up to now is 97.9 secs Computing kpt #: 145 total cpu time spent up to now is 98.5 secs Computing kpt #: 146 total cpu time spent up to now is 99.1 secs Computing kpt #: 147 total cpu time spent up to now is 99.8 secs Computing kpt #: 148 total cpu time spent up to now is 100.4 secs Computing kpt #: 149 total cpu time spent up to now is 101.0 secs Computing kpt #: 150 total cpu time spent up to now is 101.6 secs Computing kpt #: 151 total cpu time spent up to now is 102.3 secs Computing kpt #: 152 total cpu time spent up to now is 102.9 secs Computing kpt #: 153 total cpu time spent up to now is 103.6 secs Computing kpt #: 154 total cpu time spent up to now is 104.2 secs Computing kpt #: 155 total cpu time spent up to now is 104.8 secs Computing kpt #: 156 total cpu time spent up to now is 105.4 secs Computing kpt #: 157 total cpu time spent up to now is 106.0 secs Computing kpt #: 158 total cpu time spent up to now is 106.6 secs Computing kpt #: 159 total cpu time spent up to now is 107.2 secs Computing kpt #: 160 total cpu time spent up to now is 107.8 secs Computing kpt #: 161 total cpu time spent up to now is 108.4 secs Computing kpt #: 162 total cpu time spent up to now is 108.9 secs Computing kpt #: 163 total cpu time spent up to now is 109.5 secs Computing kpt #: 164 total cpu time spent up to now is 110.1 secs Computing kpt #: 165 total cpu time spent up to now is 110.7 secs Computing kpt #: 166 total cpu time spent up to now is 111.3 secs Computing kpt #: 167 total cpu time spent up to now is 111.9 secs Computing kpt #: 168 total cpu time spent up to now is 112.5 secs Computing kpt #: 169 total cpu time spent up to now is 113.1 secs Computing kpt #: 170 total cpu time spent up to now is 113.7 secs Computing kpt #: 171 total cpu time spent up to now is 114.3 secs Computing kpt #: 172 total cpu time spent up to now is 114.9 secs Computing kpt #: 173 total cpu time spent up to now is 115.5 secs Computing kpt #: 174 total cpu time spent up to now is 116.2 secs Computing kpt #: 175 total cpu time spent up to now is 116.8 secs Computing kpt #: 176 total cpu time spent up to now is 117.4 secs Computing kpt #: 177 total cpu time spent up to now is 118.0 secs Computing kpt #: 178 total cpu time spent up to now is 118.7 secs Computing kpt #: 179 total cpu time spent up to now is 119.3 secs Computing kpt #: 180 total cpu time spent up to now is 120.0 secs Computing kpt #: 181 total cpu time spent up to now is 120.7 secs Computing kpt #: 182 total cpu time spent up to now is 121.3 secs Computing kpt #: 183 total cpu time spent up to now is 121.9 secs Computing kpt #: 184 total cpu time spent up to now is 122.5 secs Computing kpt #: 185 total cpu time spent up to now is 123.1 secs Computing kpt #: 186 total cpu time spent up to now is 123.7 secs Computing kpt #: 187 total cpu time spent up to now is 124.3 secs Computing kpt #: 188 total cpu time spent up to now is 124.9 secs Computing kpt #: 189 total cpu time spent up to now is 125.5 secs Computing kpt #: 190 total cpu time spent up to now is 126.2 secs Computing kpt #: 191 total cpu time spent up to now is 126.8 secs Computing kpt #: 192 total cpu time spent up to now is 127.4 secs Computing kpt #: 193 total cpu time spent up to now is 128.0 secs Computing kpt #: 194 total cpu time spent up to now is 128.6 secs Computing kpt #: 195 total cpu time spent up to now is 129.2 secs Computing kpt #: 196 total cpu time spent up to now is 129.8 secs Computing kpt #: 197 total cpu time spent up to now is 130.5 secs Computing kpt #: 198 total cpu time spent up to now is 131.1 secs Computing kpt #: 199 total cpu time spent up to now is 131.8 secs Computing kpt #: 200 total cpu time spent up to now is 132.5 secs Computing kpt #: 201 total cpu time spent up to now is 133.2 secs Computing kpt #: 202 total cpu time spent up to now is 134.0 secs Computing kpt #: 203 total cpu time spent up to now is 134.7 secs Computing kpt #: 204 total cpu time spent up to now is 135.4 secs Computing kpt #: 205 total cpu time spent up to now is 136.2 secs Computing kpt #: 206 total cpu time spent up to now is 136.9 secs Computing kpt #: 207 total cpu time spent up to now is 137.6 secs Computing kpt #: 208 total cpu time spent up to now is 138.3 secs Computing kpt #: 209 total cpu time spent up to now is 139.0 secs Computing kpt #: 210 total cpu time spent up to now is 139.6 secs Computing kpt #: 211 total cpu time spent up to now is 140.2 secs Computing kpt #: 212 total cpu time spent up to now is 140.9 secs Computing kpt #: 213 total cpu time spent up to now is 141.6 secs Computing kpt #: 214 total cpu time spent up to now is 142.3 secs Computing kpt #: 215 total cpu time spent up to now is 143.0 secs Computing kpt #: 216 total cpu time spent up to now is 143.7 secs Computing kpt #: 217 total cpu time spent up to now is 144.4 secs Computing kpt #: 218 total cpu time spent up to now is 145.1 secs Computing kpt #: 219 total cpu time spent up to now is 145.8 secs Computing kpt #: 220 total cpu time spent up to now is 146.5 secs Computing kpt #: 221 total cpu time spent up to now is 147.2 secs Computing kpt #: 222 total cpu time spent up to now is 147.9 secs Computing kpt #: 223 total cpu time spent up to now is 148.5 secs Computing kpt #: 224 total cpu time spent up to now is 149.2 secs Computing kpt #: 225 total cpu time spent up to now is 149.8 secs Computing kpt #: 226 total cpu time spent up to now is 150.4 secs Computing kpt #: 227 total cpu time spent up to now is 151.0 secs Computing kpt #: 228 total cpu time spent up to now is 151.7 secs Computing kpt #: 229 total cpu time spent up to now is 152.3 secs Computing kpt #: 230 total cpu time spent up to now is 152.9 secs Computing kpt #: 231 total cpu time spent up to now is 153.5 secs Computing kpt #: 232 total cpu time spent up to now is 154.1 secs Computing kpt #: 233 total cpu time spent up to now is 154.9 secs Computing kpt #: 234 total cpu time spent up to now is 155.5 secs Computing kpt #: 235 total cpu time spent up to now is 156.1 secs Computing kpt #: 236 total cpu time spent up to now is 156.7 secs Computing kpt #: 237 total cpu time spent up to now is 157.4 secs Computing kpt #: 238 total cpu time spent up to now is 158.0 secs Computing kpt #: 239 total cpu time spent up to now is 158.6 secs Computing kpt #: 240 total cpu time spent up to now is 159.3 secs Computing kpt #: 241 total cpu time spent up to now is 159.9 secs Computing kpt #: 242 total cpu time spent up to now is 160.5 secs Computing kpt #: 243 total cpu time spent up to now is 161.2 secs Computing kpt #: 244 total cpu time spent up to now is 161.9 secs Computing kpt #: 245 total cpu time spent up to now is 162.5 secs Computing kpt #: 246 total cpu time spent up to now is 163.2 secs Computing kpt #: 247 total cpu time spent up to now is 163.9 secs Computing kpt #: 248 total cpu time spent up to now is 164.5 secs Computing kpt #: 249 total cpu time spent up to now is 165.1 secs Computing kpt #: 250 total cpu time spent up to now is 165.7 secs Computing kpt #: 251 total cpu time spent up to now is 166.4 secs Computing kpt #: 252 total cpu time spent up to now is 167.0 secs Computing kpt #: 253 total cpu time spent up to now is 167.6 secs Computing kpt #: 254 total cpu time spent up to now is 168.2 secs Computing kpt #: 255 total cpu time spent up to now is 168.8 secs Computing kpt #: 256 total cpu time spent up to now is 169.5 secs Computing kpt #: 257 total cpu time spent up to now is 170.2 secs Computing kpt #: 258 total cpu time spent up to now is 170.9 secs Computing kpt #: 259 total cpu time spent up to now is 171.5 secs Computing kpt #: 260 total cpu time spent up to now is 172.1 secs Computing kpt #: 261 total cpu time spent up to now is 172.6 secs Computing kpt #: 262 total cpu time spent up to now is 173.1 secs Computing kpt #: 263 total cpu time spent up to now is 173.7 secs Computing kpt #: 264 total cpu time spent up to now is 174.2 secs Computing kpt #: 265 total cpu time spent up to now is 174.7 secs Computing kpt #: 266 total cpu time spent up to now is 175.3 secs Computing kpt #: 267 total cpu time spent up to now is 175.8 secs Computing kpt #: 268 total cpu time spent up to now is 176.3 secs Computing kpt #: 269 total cpu time spent up to now is 176.9 secs Computing kpt #: 270 total cpu time spent up to now is 177.4 secs Computing kpt #: 271 total cpu time spent up to now is 178.0 secs Computing kpt #: 272 total cpu time spent up to now is 178.5 secs Computing kpt #: 273 total cpu time spent up to now is 179.1 secs Computing kpt #: 274 total cpu time spent up to now is 179.6 secs Computing kpt #: 275 total cpu time spent up to now is 180.2 secs Computing kpt #: 276 total cpu time spent up to now is 180.8 secs Computing kpt #: 277 total cpu time spent up to now is 181.4 secs Computing kpt #: 278 total cpu time spent up to now is 182.0 secs Computing kpt #: 279 total cpu time spent up to now is 182.5 secs Computing kpt #: 280 total cpu time spent up to now is 183.1 secs Computing kpt #: 281 total cpu time spent up to now is 183.9 secs Computing kpt #: 282 total cpu time spent up to now is 184.6 secs Computing kpt #: 283 total cpu time spent up to now is 185.4 secs Computing kpt #: 284 total cpu time spent up to now is 186.2 secs Computing kpt #: 285 total cpu time spent up to now is 186.9 secs Computing kpt #: 286 total cpu time spent up to now is 187.6 secs Computing kpt #: 287 total cpu time spent up to now is 188.3 secs Computing kpt #: 288 total cpu time spent up to now is 189.0 secs Computing kpt #: 289 total cpu time spent up to now is 189.7 secs Computing kpt #: 290 total cpu time spent up to now is 190.4 secs Computing kpt #: 291 total cpu time spent up to now is 191.1 secs Computing kpt #: 292 total cpu time spent up to now is 191.7 secs Computing kpt #: 293 total cpu time spent up to now is 192.3 secs Computing kpt #: 294 total cpu time spent up to now is 192.9 secs Computing kpt #: 295 total cpu time spent up to now is 193.5 secs Computing kpt #: 296 total cpu time spent up to now is 194.1 secs Computing kpt #: 297 total cpu time spent up to now is 194.7 secs Computing kpt #: 298 total cpu time spent up to now is 195.4 secs Computing kpt #: 299 total cpu time spent up to now is 195.9 secs Computing kpt #: 300 total cpu time spent up to now is 196.5 secs Computing kpt #: 301 total cpu time spent up to now is 197.1 secs ethr = 2.08E-08, avg # of iterations = 21.7 total cpu time spent up to now is 197.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6909 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3463 -16.3463 -7.2236 -7.2236 -7.0751 -7.0751 -5.8710 -5.8710 -5.4263 -5.4263 -5.3207 -5.3207 -5.0131 -5.0131 -4.9071 -4.9071 -4.8303 -4.8303 1.7099 1.7099 1.8081 1.8081 1.8251 1.8251 1.9096 1.9096 2.2165 2.2165 2.2841 2.2841 3.5408 3.5408 4.3600 4.3600 4.5820 4.5820 4.7554 4.7554 5.5760 5.5760 5.7124 5.7124 9.3474 9.3474 9.9220 9.9220 10.1252 10.1252 10.6606 10.6606 10.7977 10.7977 k = 0.0000 0.0147-0.0000 ( 6911 PWs) bands (ev): -20.6172 -20.6172 -20.4727 -20.4727 -16.3587 -16.3587 -16.3464 -16.3464 -7.2239 -7.2239 -7.0750 -7.0750 -5.8713 -5.8713 -5.4297 -5.4297 -5.3164 -5.3164 -5.0134 -5.0134 -4.9074 -4.9074 -4.8299 -4.8299 1.7100 1.7100 1.8082 1.8082 1.8253 1.8253 1.9097 1.9097 2.2164 2.2164 2.2840 2.2840 3.5414 3.5414 4.3589 4.3589 4.5809 4.5809 4.7552 4.7552 5.5751 5.5751 5.7097 5.7097 9.3513 9.3513 9.9230 9.9230 10.1299 10.1299 10.6630 10.6630 10.7999 10.7999 k = 0.0000 0.0294-0.0000 ( 6913 PWs) bands (ev): -20.6167 -20.6167 -20.4727 -20.4727 -16.3590 -16.3590 -16.3468 -16.3468 -7.2247 -7.2247 -7.0746 -7.0746 -5.8720 -5.8720 -5.4385 -5.4385 -5.3047 -5.3047 -5.0142 -5.0142 -4.9083 -4.9083 -4.8289 -4.8289 1.7104 1.7104 1.8084 1.8084 1.8258 1.8258 1.9099 1.9099 2.2163 2.2163 2.2837 2.2837 3.5432 3.5432 4.3556 4.3556 4.5777 4.5777 4.7544 4.7544 5.5725 5.5725 5.7020 5.7020 9.3632 9.3632 9.9261 9.9261 10.1441 10.1441 10.6701 10.6701 10.8066 10.8066 k = 0.0000 0.0441-0.0000 ( 6909 PWs) bands (ev): -20.6160 -20.6160 -20.4728 -20.4728 -16.3597 -16.3597 -16.3475 -16.3475 -7.2260 -7.2260 -7.0739 -7.0739 -5.8731 -5.8731 -5.4501 -5.4501 -5.2883 -5.2883 -5.0156 -5.0156 -4.9099 -4.9099 -4.8271 -4.8271 1.7111 1.7111 1.8087 1.8087 1.8266 1.8266 1.9104 1.9104 2.2159 2.2159 2.2834 2.2834 3.5462 3.5462 4.3499 4.3499 4.5730 4.5730 4.7529 4.7529 5.5679 5.5679 5.6896 5.6896 9.3829 9.3829 9.9312 9.9312 10.1673 10.1673 10.6818 10.6818 10.8174 10.8174 k = 0.0000 0.0588-0.0000 ( 6899 PWs) bands (ev): -20.6151 -20.6151 -20.4728 -20.4728 -16.3606 -16.3606 -16.3484 -16.3484 -7.2277 -7.2277 -7.0730 -7.0730 -5.8746 -5.8746 -5.4629 -5.4629 -5.2692 -5.2692 -5.0175 -5.0175 -4.9120 -4.9120 -4.8246 -4.8246 1.7122 1.7122 1.8092 1.8092 1.8277 1.8277 1.9110 1.9110 2.2152 2.2152 2.2830 2.2830 3.5501 3.5501 4.3415 4.3415 4.5674 4.5674 4.7505 4.7505 5.5611 5.5611 5.6732 5.6732 9.4102 9.4102 9.9382 9.9382 10.1989 10.1989 10.6982 10.6982 10.8323 10.8323 k = 0.0000 0.0735-0.0000 ( 6899 PWs) bands (ev): -20.6138 -20.6138 -20.4729 -20.4729 -16.3617 -16.3617 -16.3495 -16.3495 -7.2297 -7.2297 -7.0720 -7.0720 -5.8765 -5.8765 -5.4758 -5.4758 -5.2483 -5.2483 -5.0200 -5.0200 -4.9146 -4.9146 -4.8214 -4.8214 1.7135 1.7135 1.8099 1.8099 1.8292 1.8292 1.9118 1.9118 2.2141 2.2141 2.2827 2.2827 3.5550 3.5550 4.3302 4.3302 4.5617 4.5617 4.7467 4.7467 5.5513 5.5513 5.6542 5.6542 9.4449 9.4449 9.9473 9.9473 10.2382 10.2382 10.7191 10.7191 10.8505 10.8505 k = 0.0000 0.0882-0.0000 ( 6899 PWs) bands (ev): -20.6123 -20.6123 -20.4730 -20.4730 -16.3631 -16.3631 -16.3510 -16.3510 -7.2321 -7.2321 -7.0710 -7.0710 -5.8787 -5.8787 -5.4883 -5.4883 -5.2267 -5.2267 -5.0229 -5.0229 -4.9175 -4.9175 -4.8174 -4.8174 1.7151 1.7151 1.8107 1.8107 1.8310 1.8310 1.9127 1.9127 2.2124 2.2124 2.2825 2.2825 3.5606 3.5606 4.3158 4.3158 4.5567 4.5567 4.7415 4.7415 5.5377 5.5377 5.6340 5.6340 9.4868 9.4868 9.9582 9.9582 10.2843 10.2843 10.7443 10.7443 10.8714 10.8714 k = 0.0000 0.1029-0.0000 ( 6920 PWs) bands (ev): -20.6106 -20.6106 -20.4732 -20.4732 -16.3647 -16.3647 -16.3526 -16.3526 -7.2346 -7.2346 -7.0700 -7.0700 -5.8811 -5.8811 -5.5001 -5.5001 -5.2048 -5.2048 -5.0262 -5.0262 -4.9207 -4.9207 -4.8126 -4.8126 1.7171 1.7171 1.8117 1.8117 1.8331 1.8331 1.9138 1.9138 2.2101 2.2101 2.2825 2.2825 3.5668 3.5668 4.2981 4.2981 4.5529 4.5529 4.7347 4.7347 5.5193 5.5193 5.6145 5.6145 9.5354 9.5354 9.9711 9.9711 10.3358 10.3358 10.7737 10.7737 10.8936 10.8936 k = 0.0000 0.1176-0.0000 ( 6920 PWs) bands (ev): -20.6085 -20.6085 -20.4734 -20.4734 -16.3665 -16.3665 -16.3545 -16.3545 -7.2372 -7.2372 -7.0691 -7.0691 -5.8837 -5.8837 -5.5112 -5.5112 -5.1832 -5.1832 -5.0298 -5.0298 -4.9239 -4.9239 -4.8071 -4.8071 1.7195 1.7195 1.8130 1.8130 1.8355 1.8355 1.9151 1.9151 2.2069 2.2069 2.2828 2.2828 3.5734 3.5734 4.2772 4.2772 4.5509 4.5509 4.7261 4.7261 5.4956 5.4956 5.5969 5.5969 9.5903 9.5903 9.9860 9.9860 10.3917 10.3917 10.8069 10.8069 10.9154 10.9154 k = 0.0000 0.1324-0.0000 ( 6934 PWs) bands (ev): -20.6063 -20.6063 -20.4736 -20.4736 -16.3685 -16.3685 -16.3566 -16.3566 -7.2398 -7.2398 -7.0684 -7.0684 -5.8863 -5.8863 -5.5214 -5.5214 -5.1626 -5.1626 -5.0332 -5.0332 -4.9270 -4.9270 -4.8009 -4.8009 1.7222 1.7222 1.8144 1.8144 1.8382 1.8382 1.9166 1.9166 2.2029 2.2029 2.2833 2.2833 3.5800 3.5800 4.2533 4.2533 4.5507 4.5507 4.7160 4.7160 5.4670 5.4670 5.5813 5.5813 9.6508 9.6508 10.0030 10.0030 10.4507 10.4507 10.8433 10.8433 10.9343 10.9343 k = 0.0000 0.1471-0.0000 ( 6926 PWs) bands (ev): -20.6038 -20.6038 -20.4739 -20.4739 -16.3706 -16.3706 -16.3588 -16.3588 -7.2423 -7.2423 -7.0680 -7.0680 -5.8888 -5.8888 -5.5308 -5.5308 -5.1441 -5.1441 -5.0361 -5.0361 -4.9294 -4.9294 -4.7939 -4.7939 1.7254 1.7254 1.8162 1.8162 1.8412 1.8412 1.9182 1.9182 2.1981 2.1981 2.2841 2.2841 3.5866 3.5866 4.2268 4.2268 4.5524 4.5524 4.7045 4.7045 5.4350 5.4350 5.5674 5.5674 9.7161 9.7161 10.0226 10.0226 10.5112 10.5112 10.8814 10.8814 10.9482 10.9482 k = 0.0000 0.1618-0.0000 ( 6924 PWs) bands (ev): -20.6011 -20.6011 -20.4742 -20.4742 -16.3729 -16.3729 -16.3613 -16.3613 -7.2447 -7.2447 -7.0680 -7.0680 -5.8912 -5.8912 -5.5396 -5.5396 -5.1289 -5.1289 -5.0378 -5.0378 -4.9306 -4.9306 -4.7862 -4.7862 1.7291 1.7291 1.8182 1.8182 1.8444 1.8444 1.9200 1.9200 2.1924 2.1924 2.2849 2.2849 3.5928 3.5928 4.1979 4.1979 4.5560 4.5560 4.6917 4.6917 5.4009 5.4009 5.5543 5.5543 9.7846 9.7846 10.0457 10.0457 10.5720 10.5720 10.9134 10.9134 10.9611 10.9611 k = 0.0000 0.1765-0.0000 ( 6936 PWs) bands (ev): -20.5982 -20.5982 -20.4746 -20.4746 -16.3754 -16.3754 -16.3638 -16.3638 -7.2468 -7.2468 -7.0683 -7.0683 -5.8934 -5.8934 -5.5477 -5.5477 -5.1183 -5.1183 -5.0378 -5.0378 -4.9298 -4.9298 -4.7779 -4.7779 1.7332 1.7332 1.8204 1.8204 1.8480 1.8480 1.9219 1.9219 2.1860 2.1860 2.2856 2.2856 3.5985 3.5985 4.1671 4.1671 4.5613 4.5613 4.6780 4.6780 5.3658 5.3658 5.5415 5.5415 9.8538 9.8538 10.0742 10.0742 10.6315 10.6315 10.9180 10.9180 10.9919 10.9919 k = 0.0000 0.1912-0.0000 ( 6936 PWs) bands (ev): -20.5951 -20.5951 -20.4751 -20.4751 -16.3779 -16.3779 -16.3666 -16.3666 -7.2487 -7.2487 -7.0690 -7.0690 -5.8951 -5.8951 -5.5552 -5.5552 -5.1132 -5.1132 -5.0362 -5.0362 -4.9262 -4.9262 -4.7691 -4.7691 1.7379 1.7379 1.8230 1.8230 1.8517 1.8517 1.9239 1.9239 2.1789 2.1789 2.2861 2.2861 3.6034 3.6034 4.1347 4.1347 4.5683 4.5683 4.6640 4.6640 5.3306 5.3306 5.5289 5.5289 9.9196 9.9196 10.1119 10.1119 10.6882 10.6882 10.8985 10.8985 11.0368 11.0368 k = 0.0000 0.2059-0.0000 ( 6924 PWs) bands (ev): -20.5918 -20.5918 -20.4756 -20.4756 -16.3805 -16.3805 -16.3694 -16.3694 -7.2502 -7.2502 -7.0702 -7.0702 -5.8964 -5.8964 -5.5625 -5.5625 -5.1128 -5.1128 -5.0345 -5.0345 -4.9188 -4.9188 -4.7598 -4.7598 1.7431 1.7431 1.8259 1.8259 1.8557 1.8557 1.9260 1.9260 2.1712 2.1712 2.2863 2.2863 3.6074 3.6074 4.1010 4.1010 4.5765 4.5765 4.6500 4.6500 5.2960 5.2960 5.5160 5.5160 9.9760 9.9760 10.1640 10.1640 10.7400 10.7400 10.8670 10.8670 11.0821 11.0821 k = 0.0000 0.2206-0.0000 ( 6932 PWs) bands (ev): -20.5883 -20.5883 -20.4763 -20.4763 -16.3832 -16.3832 -16.3723 -16.3723 -7.2513 -7.2513 -7.0719 -7.0719 -5.8971 -5.8971 -5.5694 -5.5694 -5.1157 -5.1157 -5.0341 -5.0341 -4.9076 -4.9076 -4.7500 -4.7500 1.7489 1.7489 1.8291 1.8291 1.8599 1.8599 1.9282 1.9282 2.1629 2.1629 2.2858 2.2858 3.6104 3.6104 4.0663 4.0663 4.5855 4.5855 4.6370 4.6370 5.2625 5.2625 5.5029 5.5029 10.0199 10.0199 10.2331 10.2331 10.7806 10.7806 10.8328 10.8328 11.0729 11.0729 k = 0.0000 0.2353-0.0000 ( 6932 PWs) bands (ev): -20.5847 -20.5847 -20.4770 -20.4770 -16.3859 -16.3859 -16.3753 -16.3753 -7.2519 -7.2519 -7.0741 -7.0741 -5.8972 -5.8972 -5.5763 -5.5763 -5.1208 -5.1208 -5.0357 -5.0357 -4.8930 -4.8930 -4.7400 -4.7400 1.7554 1.7554 1.8327 1.8327 1.8643 1.8643 1.9304 1.9304 2.1542 2.1542 2.2846 2.2846 3.6123 3.6123 4.0311 4.0311 4.5935 4.5935 4.6268 4.6268 5.2303 5.2303 5.4894 5.4894 10.0534 10.0534 10.3163 10.3163 10.7684 10.7684 10.8392 10.8392 10.9962 10.9962 k = 0.0000 0.2500-0.0000 ( 6938 PWs) bands (ev): -20.5810 -20.5810 -20.4778 -20.4778 -16.3886 -16.3886 -16.3783 -16.3783 -7.2521 -7.2521 -7.0768 -7.0768 -5.8966 -5.8966 -5.5831 -5.5831 -5.1269 -5.1269 -5.0393 -5.0393 -4.8762 -4.8762 -4.7298 -4.7298 1.7625 1.7625 1.8365 1.8365 1.8688 1.8688 1.9326 1.9326 2.1452 2.1452 2.2825 2.2825 3.6131 3.6131 3.9955 3.9955 4.5954 4.5954 4.6246 4.6246 5.2000 5.2000 5.4756 5.4756 10.0806 10.0806 10.4088 10.4088 10.7228 10.7228 10.8668 10.8668 10.9185 10.9185 k = 0.0000 0.2647-0.0000 ( 6930 PWs) bands (ev): -20.5771 -20.5771 -20.4788 -20.4788 -16.3913 -16.3913 -16.3814 -16.3814 -7.2518 -7.2518 -7.0800 -7.0800 -5.8952 -5.8952 -5.5901 -5.5901 -5.1336 -5.1336 -5.0444 -5.0444 -4.8579 -4.8579 -4.7195 -4.7195 1.7704 1.7704 1.8406 1.8406 1.8735 1.8735 1.9349 1.9349 2.1358 2.1358 2.2794 2.2794 3.6128 3.6128 3.9599 3.9599 4.5893 4.5893 4.6324 4.6324 5.1717 5.1717 5.4613 5.4613 10.1040 10.1040 10.5061 10.5061 10.6734 10.6734 10.8408 10.8408 10.8919 10.8919 k = 0.0000 0.2794-0.0000 ( 6944 PWs) bands (ev): -20.5732 -20.5732 -20.4798 -20.4798 -16.3940 -16.3940 -16.3844 -16.3844 -7.2510 -7.2510 -7.0837 -7.0837 -5.8930 -5.8930 -5.5974 -5.5974 -5.1403 -5.1403 -5.0506 -5.0506 -4.8389 -4.8389 -4.7093 -4.7093 1.7790 1.7790 1.8449 1.8449 1.8784 1.8784 1.9371 1.9371 2.1263 2.1263 2.2750 2.2750 3.6114 3.6114 3.9247 3.9247 4.5813 4.5813 4.6441 4.6441 5.1457 5.1457 5.4467 5.4467 10.1249 10.1249 10.5937 10.5937 10.6333 10.6333 10.7750 10.7750 10.9037 10.9037 k = 0.0000 0.2941-0.0000 ( 6948 PWs) bands (ev): -20.5692 -20.5692 -20.4810 -20.4810 -16.3966 -16.3966 -16.3875 -16.3875 -7.2497 -7.2497 -7.0880 -7.0880 -5.8899 -5.8899 -5.6051 -5.6051 -5.1469 -5.1469 -5.0575 -5.0575 -4.8198 -4.8198 -4.6993 -4.6993 1.7883 1.7883 1.8495 1.8495 1.8833 1.8833 1.9393 1.9393 2.1165 2.1165 2.2692 2.2692 3.6092 3.6092 3.8902 3.8902 4.5739 4.5739 4.6567 4.6567 5.1224 5.1224 5.4317 5.4317 10.1439 10.1439 10.5659 10.5659 10.6692 10.6692 10.7553 10.7553 10.9070 10.9070 k = 0.0000 0.3088-0.0000 ( 6946 PWs) bands (ev): -20.5651 -20.5651 -20.4824 -20.4824 -16.3991 -16.3991 -16.3904 -16.3904 -7.2478 -7.2478 -7.0927 -7.0927 -5.8860 -5.8860 -5.6132 -5.6132 -5.1531 -5.1531 -5.0650 -5.0650 -4.8009 -4.8009 -4.6895 -4.6895 1.7984 1.7984 1.8543 1.8543 1.8884 1.8884 1.9414 1.9414 2.1068 2.1068 2.2620 2.2620 3.6062 3.6062 3.8567 3.8567 4.5680 4.5680 4.6690 4.6690 5.1022 5.1022 5.4162 5.4162 10.1612 10.1612 10.5171 10.5171 10.6270 10.6270 10.8397 10.8397 10.9039 10.9039 k = 0.0000 0.3235-0.0000 ( 6954 PWs) bands (ev): -20.5610 -20.5610 -20.4838 -20.4838 -16.4015 -16.4015 -16.3933 -16.3933 -7.2454 -7.2454 -7.0979 -7.0979 -5.8812 -5.8812 -5.6218 -5.6218 -5.1587 -5.1587 -5.0728 -5.0728 -4.7825 -4.7825 -4.6802 -4.6802 1.8093 1.8093 1.8593 1.8593 1.8937 1.8937 1.9435 1.9435 2.0970 2.0970 2.2533 2.2533 3.6027 3.6027 3.8245 3.8245 4.5637 4.5637 4.6802 4.6802 5.0853 5.0853 5.4003 5.4003 10.1764 10.1764 10.4689 10.4689 10.5744 10.5744 10.8809 10.8809 10.9450 10.9450 k = 0.0000 0.3382-0.0000 ( 6958 PWs) bands (ev): -20.5568 -20.5568 -20.4855 -20.4855 -16.4038 -16.4038 -16.3961 -16.3961 -7.2425 -7.2425 -7.1035 -7.1035 -5.8754 -5.8754 -5.6311 -5.6311 -5.1636 -5.1636 -5.0809 -5.0809 -4.7647 -4.7647 -4.6714 -4.6714 1.8208 1.8208 1.8644 1.8644 1.8990 1.8990 1.9455 1.9455 2.0872 2.0872 2.2430 2.2430 3.5989 3.5989 3.7940 3.7940 4.5612 4.5612 4.6896 4.6896 5.0724 5.0724 5.3839 5.3839 10.1890 10.1890 10.4225 10.4225 10.5266 10.5266 10.8641 10.8641 10.9725 10.9725 k = 0.0000 0.3529-0.0000 ( 6956 PWs) bands (ev): -20.5526 -20.5526 -20.4872 -20.4872 -16.4059 -16.4059 -16.3988 -16.3988 -7.2390 -7.2390 -7.1095 -7.1095 -5.8689 -5.8689 -5.6409 -5.6409 -5.1677 -5.1677 -5.0890 -5.0890 -4.7477 -4.7477 -4.6633 -4.6633 1.8330 1.8330 1.8697 1.8697 1.9045 1.9045 1.9475 1.9475 2.0776 2.0776 2.2310 2.2310 3.5950 3.5950 3.7653 3.7653 4.5605 4.5605 4.6966 4.6966 5.0638 5.0638 5.3671 5.3671 10.1982 10.1982 10.3786 10.3786 10.4865 10.4865 10.8404 10.8404 10.9717 10.9717 k = 0.0000 0.3676-0.0000 ( 6944 PWs) bands (ev): -20.5484 -20.5484 -20.4891 -20.4891 -16.4078 -16.4078 -16.4013 -16.4013 -7.2350 -7.2350 -7.1158 -7.1158 -5.8614 -5.8614 -5.6514 -5.6514 -5.1709 -5.1709 -5.0972 -5.0972 -4.7317 -4.7317 -4.6560 -4.6560 1.8454 1.8454 1.8751 1.8751 1.9103 1.9103 1.9496 1.9496 2.0682 2.0682 2.2175 2.2175 3.5912 3.5912 3.7387 3.7387 4.5615 4.5615 4.7005 4.7005 5.0599 5.0599 5.3498 5.3498 10.2025 10.2025 10.3375 10.3375 10.4559 10.4559 10.8128 10.8128 10.9710 10.9710 k = 0.0000 0.3824-0.0000 ( 6944 PWs) bands (ev): -20.5443 -20.5443 -20.4912 -20.4912 -16.4095 -16.4095 -16.4037 -16.4037 -7.2306 -7.2306 -7.1225 -7.1225 -5.8531 -5.8531 -5.6624 -5.6624 -5.1732 -5.1732 -5.1052 -5.1052 -4.7167 -4.7167 -4.6496 -4.6496 1.8579 1.8579 1.8807 1.8807 1.9164 1.9164 1.9517 1.9517 2.0591 2.0591 2.2024 2.2024 3.5877 3.5877 3.7142 3.7142 4.5641 4.5641 4.7012 4.7012 5.0606 5.0606 5.3320 5.3320 10.2010 10.2010 10.2996 10.2996 10.4361 10.4361 10.7827 10.7827 10.9729 10.9729 k = 0.0000 0.3971-0.0000 ( 6944 PWs) bands (ev): -20.5402 -20.5402 -20.4935 -20.4935 -16.4110 -16.4110 -16.4058 -16.4058 -7.2256 -7.2256 -7.1294 -7.1294 -5.8441 -5.8441 -5.6740 -5.6740 -5.1746 -5.1746 -5.1132 -5.1132 -4.7028 -4.7028 -4.6442 -4.6442 1.8696 1.8696 1.8864 1.8864 1.9234 1.9234 1.9540 1.9540 2.0504 2.0504 2.1860 2.1860 3.5848 3.5848 3.6919 3.6919 4.5683 4.5683 4.6987 4.6987 5.0657 5.0657 5.3138 5.3138 10.1938 10.1938 10.2652 10.2652 10.4274 10.4274 10.7510 10.7510 10.9778 10.9778 k = 0.0000 0.4118-0.0000 ( 6938 PWs) bands (ev): -20.5361 -20.5361 -20.4959 -20.4959 -16.4123 -16.4123 -16.4078 -16.4078 -7.2203 -7.2203 -7.1365 -7.1365 -5.8343 -5.8343 -5.6861 -5.6861 -5.1750 -5.1750 -5.1209 -5.1209 -4.6901 -4.6901 -4.6399 -4.6399 1.8796 1.8796 1.8924 1.8924 1.9316 1.9316 1.9565 1.9565 2.0423 2.0423 2.1683 2.1683 3.5827 3.5827 3.6718 3.6718 4.5740 4.5740 4.6934 4.6934 5.0748 5.0748 5.2951 5.2951 10.1824 10.1824 10.2345 10.2345 10.4284 10.4284 10.7187 10.7187 10.9859 10.9859 k = 0.0000 0.4265-0.0000 ( 6938 PWs) bands (ev): -20.5321 -20.5321 -20.4984 -20.4984 -16.4134 -16.4134 -16.4096 -16.4096 -7.2145 -7.2145 -7.1438 -7.1438 -5.8238 -5.8238 -5.6985 -5.6985 -5.1744 -5.1744 -5.1283 -5.1283 -4.6785 -4.6785 -4.6368 -4.6368 1.8874 1.8874 1.8983 1.8983 1.9415 1.9415 1.9595 1.9595 2.0351 2.0351 2.1497 2.1497 3.5815 3.5815 3.6540 3.6540 4.5809 4.5809 4.6857 4.6857 5.0872 5.0872 5.2760 5.2760 10.1694 10.1694 10.2077 10.2077 10.4368 10.4368 10.6863 10.6863 10.9972 10.9972 k = 0.0000 0.4412-0.0000 ( 6950 PWs) bands (ev): -20.5282 -20.5282 -20.5012 -20.5012 -16.4142 -16.4142 -16.4111 -16.4111 -7.2084 -7.2084 -7.1512 -7.1512 -5.8127 -5.8127 -5.7113 -5.7113 -5.1730 -5.1730 -5.1354 -5.1354 -4.6683 -4.6683 -4.6349 -4.6349 1.8933 1.8933 1.9030 1.9030 1.9526 1.9526 1.9632 1.9632 2.0295 2.0295 2.1303 2.1303 3.5815 3.5815 3.6384 3.6384 4.5891 4.5891 4.6762 4.6762 5.1021 5.1021 5.2566 5.2566 10.1570 10.1570 10.1851 10.1851 10.4506 10.4506 10.6543 10.6543 11.0117 11.0117 k = 0.0000 0.4559-0.0000 ( 6954 PWs) bands (ev): -20.5244 -20.5244 -20.5041 -20.5041 -16.4147 -16.4147 -16.4124 -16.4124 -7.2019 -7.2019 -7.1587 -7.1587 -5.8010 -5.8010 -5.7243 -5.7243 -5.1707 -5.1707 -5.1421 -5.1421 -4.6594 -4.6594 -4.6343 -4.6343 1.8979 1.8979 1.9062 1.9062 1.9624 1.9624 1.9686 1.9686 2.0266 2.0266 2.1104 2.1104 3.5829 3.5829 3.6248 3.6248 4.5983 4.5983 4.6655 4.6655 5.1191 5.1191 5.2368 5.2368 10.1467 10.1467 10.1666 10.1666 10.4683 10.4683 10.6231 10.6231 11.0295 11.0295 k = 0.0000 0.4706-0.0000 ( 6950 PWs) bands (ev): -20.5207 -20.5207 -20.5071 -20.5071 -16.4150 -16.4150 -16.4135 -16.4135 -7.1951 -7.1951 -7.1662 -7.1662 -5.7889 -5.7889 -5.7374 -5.7374 -5.1676 -5.1676 -5.1484 -5.1484 -4.6518 -4.6518 -4.6351 -4.6351 1.9017 1.9017 1.9076 1.9076 1.9683 1.9683 1.9750 1.9750 2.0289 2.0289 2.0905 2.0905 3.5856 3.5856 3.6133 3.6133 4.6084 4.6084 4.6541 4.6541 5.1374 5.1374 5.2167 5.2167 10.1397 10.1397 10.1525 10.1525 10.4891 10.4891 10.5931 10.5931 11.0504 11.0504 k = 0.0000 0.4853-0.0000 ( 6944 PWs) bands (ev): -20.5171 -20.5171 -20.5103 -20.5103 -16.4150 -16.4150 -16.4142 -16.4142 -7.1881 -7.1881 -7.1736 -7.1736 -5.7763 -5.7763 -5.7505 -5.7505 -5.1638 -5.1638 -5.1541 -5.1541 -4.6455 -4.6455 -4.6372 -4.6372 1.9046 1.9046 1.9077 1.9077 1.9728 1.9728 1.9776 1.9776 2.0382 2.0382 2.0711 2.0711 3.5900 3.5900 3.6037 3.6037 4.6193 4.6193 4.6424 4.6424 5.1566 5.1566 5.1966 5.1966 10.1365 10.1365 10.1428 10.1428 10.5122 10.5122 10.5645 10.5645 11.0744 11.0744 k = 0.0000 0.5000-0.0000 ( 6936 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1809 -7.1809 -7.1809 -7.1809 -5.7635 -5.7635 -5.7635 -5.7635 -5.1593 -5.1593 -5.1593 -5.1593 -4.6407 -4.6407 -4.6407 -4.6407 1.9067 1.9067 1.9067 1.9067 1.9762 1.9762 1.9762 1.9762 2.0532 2.0532 2.0532 2.0532 3.5960 3.5960 3.5960 3.5960 4.6307 4.6307 4.6307 4.6307 5.1765 5.1765 5.1765 5.1765 10.1375 10.1375 10.1375 10.1375 10.5374 10.5374 10.5374 10.5374 11.1014 11.1014 k = 0.0000 0.5000-0.0000 ( 6936 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1809 -7.1809 -7.1809 -7.1809 -5.7635 -5.7635 -5.7635 -5.7635 -5.1593 -5.1593 -5.1593 -5.1593 -4.6407 -4.6407 -4.6407 -4.6407 1.9067 1.9067 1.9067 1.9067 1.9762 1.9762 1.9762 1.9762 2.0532 2.0532 2.0532 2.0532 3.5960 3.5960 3.5960 3.5960 4.6307 4.6307 4.6307 4.6307 5.1765 5.1765 5.1765 5.1765 10.1375 10.1375 10.1375 10.1375 10.5374 10.5374 10.5374 10.5374 11.1014 11.1014 k = 0.0147 0.5000-0.0000 ( 6948 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4150 -16.4150 -16.4148 -16.4148 -7.1847 -7.1847 -7.1770 -7.1770 -5.7653 -5.7653 -5.7608 -5.7608 -5.1689 -5.1689 -5.1498 -5.1498 -4.6429 -4.6429 -4.6397 -4.6397 1.9043 1.9043 1.9088 1.9088 1.9636 1.9636 1.9865 1.9865 2.0430 2.0430 2.0672 2.0672 3.5877 3.5877 3.6029 3.6029 4.6113 4.6113 4.6497 4.6497 5.1680 5.1680 5.1840 5.1840 10.1376 10.1376 10.1415 10.1415 10.5364 10.5364 10.5369 10.5369 11.1026 11.1026 k = 0.0294 0.5000-0.0000 ( 6956 PWs) bands (ev): -20.5134 -20.5134 -20.5134 -20.5134 -16.4155 -16.4155 -16.4151 -16.4151 -7.1883 -7.1883 -7.1729 -7.1729 -5.7661 -5.7661 -5.7573 -5.7573 -5.1785 -5.1785 -5.1405 -5.1405 -4.6465 -4.6465 -4.6399 -4.6399 1.9011 1.9011 1.9108 1.9108 1.9513 1.9513 1.9895 1.9895 2.0414 2.0414 2.0828 2.0828 3.5782 3.5782 3.6084 3.6084 4.5917 4.5917 4.6684 4.6684 5.1587 5.1587 5.1905 5.1905 10.1420 10.1420 10.1496 10.1496 10.5338 10.5338 10.5349 10.5349 11.1082 11.1082 k = 0.0441 0.5000-0.0000 ( 6952 PWs) bands (ev): -20.5130 -20.5130 -20.5130 -20.5130 -16.4162 -16.4162 -16.4157 -16.4157 -7.1916 -7.1916 -7.1688 -7.1688 -5.7660 -5.7660 -5.7529 -5.7529 -5.1881 -5.1881 -5.1314 -5.1314 -4.6513 -4.6513 -4.6415 -4.6415 1.8962 1.8962 1.9128 1.9128 1.9413 1.9413 1.9835 1.9835 2.0500 2.0500 2.0991 2.0991 3.5675 3.5675 3.6124 3.6124 4.5720 4.5720 4.6866 4.6866 5.1483 5.1483 5.1962 5.1962 10.1505 10.1505 10.1617 10.1617 10.5297 10.5297 10.5315 10.5315 11.1182 11.1182 k = 0.0588 0.5000-0.0000 ( 6952 PWs) bands (ev): -20.5125 -20.5125 -20.5125 -20.5125 -16.4172 -16.4172 -16.4165 -16.4165 -7.1947 -7.1947 -7.1645 -7.1645 -5.7648 -5.7648 -5.7477 -5.7477 -5.1976 -5.1976 -5.1228 -5.1228 -4.6574 -4.6574 -4.6444 -4.6444 1.8888 1.8888 1.9145 1.9145 1.9346 1.9346 1.9733 1.9733 2.0640 2.0640 2.1157 2.1157 3.5557 3.5557 3.6149 3.6149 4.5523 4.5523 4.7042 4.7042 5.1369 5.1369 5.2011 5.2011 10.1631 10.1631 10.1775 10.1775 10.5244 10.5244 10.5271 10.5271 11.1324 11.1324 k = 0.0735 0.5000-0.0000 ( 6950 PWs) bands (ev): -20.5119 -20.5119 -20.5119 -20.5119 -16.4185 -16.4185 -16.4176 -16.4176 -7.1975 -7.1975 -7.1602 -7.1602 -5.7627 -5.7627 -5.7416 -5.7416 -5.2069 -5.2069 -5.1145 -5.1145 -4.6647 -4.6647 -4.6486 -4.6486 1.8792 1.8792 1.9155 1.9155 1.9314 1.9314 1.9629 1.9629 2.0802 2.0802 2.1324 2.1324 3.5431 3.5431 3.6159 3.6159 4.5327 4.5327 4.7212 4.7212 5.1245 5.1245 5.2050 5.2050 10.1797 10.1797 10.1968 10.1968 10.5179 10.5179 10.5219 10.5219 11.1506 11.1506 k = 0.0882 0.5000-0.0000 ( 6946 PWs) bands (ev): -20.5112 -20.5112 -20.5112 -20.5112 -16.4200 -16.4200 -16.4189 -16.4189 -7.2000 -7.2000 -7.1558 -7.1558 -5.7595 -5.7595 -5.7348 -5.7348 -5.2159 -5.2159 -5.1068 -5.1068 -4.6732 -4.6732 -4.6540 -4.6540 1.8682 1.8682 1.9144 1.9144 1.9308 1.9308 1.9548 1.9548 2.0972 2.0972 2.1490 2.1490 3.5297 3.5297 3.6154 3.6154 4.5132 4.5132 4.7373 4.7373 5.1110 5.1110 5.2081 5.2081 10.2000 10.2000 10.2194 10.2194 10.5105 10.5105 10.5160 10.5160 11.1728 11.1728 k = 0.1029 0.5000-0.0000 ( 6938 PWs) bands (ev): -20.5104 -20.5104 -20.5104 -20.5104 -16.4217 -16.4217 -16.4204 -16.4204 -7.2022 -7.2022 -7.1515 -7.1515 -5.7553 -5.7553 -5.7273 -5.7273 -5.2246 -5.2246 -5.0996 -5.0996 -4.6829 -4.6829 -4.6608 -4.6608 1.8568 1.8568 1.9100 1.9100 1.9320 1.9320 1.9509 1.9509 2.1144 2.1144 2.1653 2.1653 3.5156 3.5156 3.6135 3.6135 4.4940 4.4940 4.7526 4.7526 5.0965 5.0965 5.2103 5.2103 10.2238 10.2238 10.2449 10.2449 10.5025 10.5025 10.5097 10.5097 11.1987 11.1987 k = 0.1176 0.5000-0.0000 ( 6948 PWs) bands (ev): -20.5094 -20.5094 -20.5094 -20.5094 -16.4236 -16.4236 -16.4222 -16.4222 -7.2041 -7.2041 -7.1472 -7.1472 -5.7500 -5.7500 -5.7190 -5.7190 -5.2328 -5.2328 -5.0931 -5.0931 -4.6937 -4.6937 -4.6688 -4.6688 1.8456 1.8456 1.9021 1.9021 1.9345 1.9345 1.9513 1.9513 2.1315 2.1315 2.1813 2.1813 3.5011 3.5011 3.6102 3.6102 4.4752 4.4752 4.7670 4.7670 5.0809 5.0809 5.2116 5.2116 10.2509 10.2509 10.2730 10.2730 10.4940 10.4940 10.5031 10.5031 11.2285 11.2285 k = 0.1324 0.5000-0.0000 ( 6956 PWs) bands (ev): -20.5084 -20.5084 -20.5084 -20.5084 -16.4257 -16.4257 -16.4242 -16.4242 -7.2056 -7.2056 -7.1430 -7.1430 -5.7436 -5.7436 -5.7101 -5.7101 -5.2406 -5.2406 -5.0873 -5.0873 -4.7057 -4.7057 -4.6780 -4.6780 1.8349 1.8349 1.8925 1.8925 1.9380 1.9380 1.9546 1.9546 2.1484 2.1484 2.1968 2.1968 3.4863 3.4863 3.6055 3.6055 4.4568 4.4568 4.7803 4.7803 5.0644 5.0644 5.2119 5.2119 10.2809 10.2809 10.3035 10.3035 10.4854 10.4854 10.4963 10.4963 11.2620 11.2620 k = 0.1471 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.5073 -20.5073 -20.5073 -20.5073 -16.4280 -16.4280 -16.4264 -16.4264 -7.2068 -7.2068 -7.1389 -7.1389 -5.7361 -5.7361 -5.7005 -5.7005 -5.2478 -5.2478 -5.0822 -5.0822 -4.7187 -4.7187 -4.6884 -4.6884 1.8250 1.8250 1.8824 1.8824 1.9424 1.9424 1.9597 1.9597 2.1648 2.1648 2.2118 2.2118 3.4714 3.4714 3.5996 3.5996 4.4389 4.4389 4.7924 4.7924 5.0469 5.0469 5.2113 5.2113 10.3133 10.3133 10.3361 10.3361 10.4770 10.4770 10.4895 10.4895 11.2994 11.2994 k = 0.1618 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.5060 -20.5060 -20.5060 -20.5060 -16.4304 -16.4304 -16.4287 -16.4287 -7.2077 -7.2077 -7.1350 -7.1350 -5.7276 -5.7276 -5.6902 -5.6902 -5.2544 -5.2544 -5.0779 -5.0779 -4.7328 -4.7328 -4.7001 -4.7001 1.8159 1.8159 1.8724 1.8724 1.9477 1.9477 1.9660 1.9660 2.1807 2.1807 2.2262 2.2262 3.4565 3.4565 3.5927 3.5927 4.4217 4.4217 4.8031 4.8031 5.0286 5.0286 5.2096 5.2096 10.3473 10.3473 10.3704 10.3704 10.4698 10.4698 10.4829 10.4829 11.3406 11.3406 k = 0.1765 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.5047 -20.5047 -20.5047 -20.5047 -16.4330 -16.4330 -16.4312 -16.4312 -7.2081 -7.2081 -7.1313 -7.1313 -5.7179 -5.7179 -5.6792 -5.6792 -5.2604 -5.2604 -5.0745 -5.0745 -4.7479 -4.7479 -4.7129 -4.7129 1.8076 1.8076 1.8627 1.8627 1.9537 1.9537 1.9732 1.9732 2.1961 2.1961 2.2399 2.2399 3.4417 3.4417 3.5847 3.5847 4.4052 4.4052 4.8124 4.8124 5.0097 5.0097 5.2069 5.2069 10.3806 10.3806 10.4055 10.4055 10.4658 10.4658 10.4773 10.4773 11.3857 11.3857 k = 0.1912 0.5000-0.0000 ( 6946 PWs) bands (ev): -20.5034 -20.5034 -20.5034 -20.5034 -16.4357 -16.4357 -16.4338 -16.4338 -7.2082 -7.2082 -7.1278 -7.1278 -5.7072 -5.7072 -5.6677 -5.6677 -5.2657 -5.2657 -5.0719 -5.0719 -4.7639 -4.7639 -4.7268 -4.7268 1.8002 1.8002 1.8536 1.8536 1.9604 1.9604 1.9812 1.9812 2.2107 2.2107 2.2528 2.2528 3.4273 3.4273 3.5758 3.5758 4.3894 4.3894 4.8199 4.8199 4.9904 4.9904 5.2031 5.2031 10.4059 10.4059 10.4372 10.4372 10.4725 10.4725 10.4771 10.4771 11.4346 11.4346 k = 0.2059 0.5000-0.0000 ( 6950 PWs) bands (ev): -20.5020 -20.5020 -20.5020 -20.5020 -16.4384 -16.4384 -16.4365 -16.4365 -7.2079 -7.2079 -7.1246 -7.1246 -5.6954 -5.6954 -5.6555 -5.6555 -5.2703 -5.2703 -5.0702 -5.0702 -4.7808 -4.7808 -4.7418 -4.7418 1.7937 1.7937 1.8451 1.8451 1.9679 1.9679 1.9898 1.9898 2.2245 2.2245 2.2649 2.2649 3.4133 3.4133 3.5662 3.5662 4.3746 4.3746 4.8253 4.8253 4.9712 4.9712 5.1982 5.1982 10.4139 10.4139 10.4486 10.4486 10.4992 10.4992 10.4992 10.4992 11.4871 11.4871 k = 0.2206 0.5000-0.0000 ( 6956 PWs) bands (ev): -20.5005 -20.5005 -20.5005 -20.5005 -16.4413 -16.4413 -16.4393 -16.4393 -7.2073 -7.2073 -7.1217 -7.1217 -5.6826 -5.6826 -5.6427 -5.6427 -5.2742 -5.2742 -5.0694 -5.0694 -4.7985 -4.7985 -4.7579 -4.7579 1.7880 1.7880 1.8373 1.8373 1.9760 1.9760 1.9990 1.9990 2.2376 2.2376 2.2762 2.2762 3.4000 3.4000 3.5559 3.5559 4.3608 4.3608 4.8279 4.8279 4.9527 4.9527 5.1922 5.1922 10.4111 10.4111 10.4453 10.4453 10.5381 10.5381 10.5395 10.5395 11.5432 11.5432 k = 0.2353 0.5000-0.0000 ( 6964 PWs) bands (ev): -20.4990 -20.4990 -20.4990 -20.4990 -16.4442 -16.4442 -16.4422 -16.4422 -7.2062 -7.2062 -7.1191 -7.1191 -5.6688 -5.6688 -5.6293 -5.6293 -5.2773 -5.2773 -5.0696 -5.0696 -4.8170 -4.8170 -4.7749 -4.7749 1.7832 1.7832 1.8300 1.8300 1.9847 1.9847 2.0087 2.0087 2.2498 2.2498 2.2866 2.2866 3.3874 3.3874 3.5452 3.5452 4.3481 4.3481 4.8269 4.8269 4.9360 4.9360 5.1851 5.1851 10.4051 10.4051 10.4393 10.4393 10.5819 10.5819 10.5859 10.5859 11.6023 11.6023 k = 0.2500 0.5000-0.0000 ( 6956 PWs) bands (ev): -20.4975 -20.4975 -20.4975 -20.4975 -16.4471 -16.4471 -16.4451 -16.4451 -7.2048 -7.2048 -7.1169 -7.1169 -5.6540 -5.6540 -5.6153 -5.6153 -5.2796 -5.2796 -5.0707 -5.0707 -4.8361 -4.8361 -4.7929 -4.7929 1.7792 1.7792 1.8235 1.8235 1.9941 1.9941 2.0188 2.0188 2.2611 2.2611 2.2962 2.2962 3.3756 3.3756 3.5340 3.5340 4.3366 4.3366 4.8210 4.8210 4.9224 4.9224 5.1768 5.1768 10.3984 10.3984 10.4329 10.4329 10.6286 10.6286 10.6360 10.6360 11.6642 11.6642 k = 0.2647 0.5000-0.0000 ( 6962 PWs) bands (ev): -20.4960 -20.4960 -20.4960 -20.4960 -16.4500 -16.4500 -16.4480 -16.4480 -7.2030 -7.2030 -7.1151 -7.1151 -5.6382 -5.6382 -5.6007 -5.6007 -5.2812 -5.2812 -5.0728 -5.0728 -4.8558 -4.8558 -4.8117 -4.8117 1.7758 1.7758 1.8175 1.8175 2.0039 2.0039 2.0292 2.0292 2.2715 2.2715 2.3048 2.3048 3.3648 3.3648 3.5225 3.5225 4.3264 4.3264 4.8095 4.8095 4.9127 4.9127 5.1675 5.1675 10.3920 10.3920 10.4267 10.4267 10.6776 10.6776 10.6888 10.6888 11.7284 11.7284 k = 0.2794 0.5000-0.0000 ( 6962 PWs) bands (ev): -20.4946 -20.4946 -20.4946 -20.4946 -16.4528 -16.4528 -16.4508 -16.4508 -7.2009 -7.2009 -7.1137 -7.1137 -5.6215 -5.6215 -5.5855 -5.5855 -5.2820 -5.2820 -5.0758 -5.0758 -4.8761 -4.8761 -4.8313 -4.8313 1.7731 1.7731 1.8121 1.8121 2.0143 2.0143 2.0400 2.0400 2.2810 2.2810 2.3125 2.3125 3.3550 3.3550 3.5108 3.5108 4.3176 4.3176 4.7927 4.7927 4.9069 4.9069 5.1571 5.1571 10.3862 10.3862 10.4209 10.4209 10.7288 10.7288 10.7439 10.7439 11.7943 11.7943 k = 0.2941 0.5000-0.0000 ( 6966 PWs) bands (ev): -20.4931 -20.4931 -20.4931 -20.4931 -16.4556 -16.4556 -16.4537 -16.4537 -7.1984 -7.1984 -7.1127 -7.1127 -5.6040 -5.6040 -5.5697 -5.5697 -5.2821 -5.2821 -5.0798 -5.0798 -4.8967 -4.8967 -4.8516 -4.8516 1.7710 1.7710 1.8073 1.8073 2.0250 2.0250 2.0509 2.0509 2.2896 2.2896 2.3194 2.3194 3.3463 3.3463 3.4990 3.4990 4.3104 4.3104 4.7719 4.7719 4.9040 4.9040 5.1458 5.1458 10.3812 10.3812 10.4157 10.4157 10.7819 10.7819 10.8009 10.8009 11.8614 11.8614 k = 0.3088 0.5000-0.0000 ( 6958 PWs) bands (ev): -20.4917 -20.4917 -20.4917 -20.4917 -16.4584 -16.4584 -16.4565 -16.4565 -7.1956 -7.1956 -7.1121 -7.1121 -5.5857 -5.5857 -5.5534 -5.5534 -5.2815 -5.2815 -5.0848 -5.0848 -4.9175 -4.9175 -4.8725 -4.8725 1.7695 1.7695 1.8030 1.8030 2.0361 2.0361 2.0619 2.0619 2.2973 2.2973 2.3253 2.3253 3.3388 3.3388 3.4871 3.4871 4.3049 4.3049 4.7484 4.7484 4.9027 4.9027 5.1336 5.1336 10.3772 10.3772 10.4111 10.4111 10.8367 10.8367 10.8596 10.8596 11.9293 11.9293 k = 0.3235 0.5000-0.0000 ( 6950 PWs) bands (ev): -20.4903 -20.4903 -20.4903 -20.4903 -16.4610 -16.4610 -16.4592 -16.4592 -7.1924 -7.1924 -7.1120 -7.1120 -5.5667 -5.5667 -5.5366 -5.5366 -5.2803 -5.2803 -5.0907 -5.0907 -4.9384 -4.9384 -4.8939 -4.8939 1.7684 1.7684 1.7991 1.7991 2.0473 2.0473 2.0728 2.0728 2.3041 2.3041 2.3303 2.3303 3.3325 3.3325 3.4752 3.4752 4.3010 4.3010 4.7231 4.7231 4.9026 4.9026 5.1206 5.1206 10.3743 10.3743 10.4072 10.4072 10.8929 10.8929 10.9193 10.9193 11.9973 11.9973 k = 0.3382 0.5000-0.0000 ( 6942 PWs) bands (ev): -20.4890 -20.4890 -20.4890 -20.4890 -16.4635 -16.4635 -16.4618 -16.4618 -7.1890 -7.1890 -7.1123 -7.1123 -5.5470 -5.5470 -5.5193 -5.5193 -5.2784 -5.2784 -5.0977 -5.0977 -4.9592 -4.9592 -4.9156 -4.9156 1.7677 1.7677 1.7957 1.7957 2.0587 2.0587 2.0835 2.0835 2.3101 2.3101 2.3345 2.3345 3.3274 3.3274 3.4634 3.4634 4.2991 4.2991 4.6967 4.6967 4.9032 4.9032 5.1070 5.1070 10.3723 10.3723 10.4040 10.4040 10.9500 10.9500 10.9796 10.9796 12.0650 12.0650 k = 0.3529 0.5000-0.0000 ( 6938 PWs) bands (ev): -20.4877 -20.4877 -20.4877 -20.4877 -16.4658 -16.4658 -16.4642 -16.4642 -7.1854 -7.1854 -7.1131 -7.1131 -5.5268 -5.5268 -5.5016 -5.5016 -5.2761 -5.2761 -5.1058 -5.1058 -4.9797 -4.9797 -4.9375 -4.9375 1.7674 1.7674 1.7926 1.7926 2.0700 2.0700 2.0940 2.0940 2.3153 2.3153 2.3379 2.3379 3.3236 3.3236 3.4516 3.4516 4.2991 4.2991 4.6695 4.6695 4.9043 4.9043 5.0929 5.0929 10.3714 10.3714 10.4015 10.4015 11.0076 11.0076 11.0398 11.0398 12.1318 12.1318 k = 0.3676 0.5000-0.0000 ( 6938 PWs) bands (ev): -20.4866 -20.4866 -20.4866 -20.4866 -16.4680 -16.4680 -16.4665 -16.4665 -7.1815 -7.1815 -7.1143 -7.1143 -5.5062 -5.5062 -5.4834 -5.4834 -5.2734 -5.2734 -5.1151 -5.1151 -4.9994 -4.9994 -4.9595 -4.9595 1.7674 1.7674 1.7899 1.7899 2.0811 2.0811 2.1039 2.1039 2.3197 2.3197 2.3405 2.3405 3.3211 3.3211 3.4400 3.4400 4.3011 4.3011 4.6419 4.6419 4.9061 4.9061 5.0784 5.0784 10.3714 10.3714 10.3996 10.3996 11.0649 11.0649 11.0990 11.0990 12.1972 12.1973 k = 0.3824 0.5000-0.0000 ( 6934 PWs) bands (ev): -20.4855 -20.4855 -20.4855 -20.4855 -16.4700 -16.4700 -16.4686 -16.4686 -7.1774 -7.1774 -7.1159 -7.1159 -5.4854 -5.4854 -5.4650 -5.4650 -5.2704 -5.2704 -5.1257 -5.1257 -5.0182 -5.0182 -4.9811 -4.9811 1.7676 1.7676 1.7874 1.7874 2.0918 2.0918 2.1132 2.1132 2.3236 2.3236 2.3424 2.3424 3.3198 3.3198 3.4286 3.4286 4.3051 4.3051 4.6141 4.6141 4.9085 4.9085 5.0638 5.0638 10.3721 10.3721 10.3981 10.3981 11.1212 11.1212 11.1563 11.1563 12.2606 12.2611 k = 0.3971 0.5000-0.0000 ( 6942 PWs) bands (ev): -20.4845 -20.4845 -20.4845 -20.4845 -16.4718 -16.4718 -16.4706 -16.4706 -7.1731 -7.1731 -7.1180 -7.1180 -5.4645 -5.4645 -5.4465 -5.4465 -5.2672 -5.2672 -5.1378 -5.1378 -5.0356 -5.0356 -5.0023 -5.0023 1.7680 1.7680 1.7852 1.7852 2.1021 2.1021 2.1217 2.1217 2.3268 2.3268 2.3436 2.3436 3.3198 3.3198 3.4174 3.4174 4.3113 4.3113 4.5864 4.5864 4.9115 4.9115 5.0491 5.0491 10.3735 10.3735 10.3970 10.3970 11.1754 11.1754 11.2106 11.2106 12.3136 12.3228 k = 0.4118 0.5000-0.0000 ( 6954 PWs) bands (ev): -20.4837 -20.4837 -20.4837 -20.4837 -16.4734 -16.4734 -16.4723 -16.4723 -7.1687 -7.1687 -7.1205 -7.1205 -5.4439 -5.4439 -5.4280 -5.4280 -5.2642 -5.2642 -5.1513 -5.1513 -5.0512 -5.0512 -5.0225 -5.0225 1.7686 1.7686 1.7833 1.7833 2.1117 2.1117 2.1293 2.1293 2.3295 2.3295 2.3443 2.3443 3.3210 3.3210 3.4065 3.4065 4.3196 4.3196 4.5590 4.5590 4.9154 4.9154 5.0346 5.0346 10.3755 10.3755 10.3961 10.3961 11.2267 11.2267 11.2606 11.2606 12.3677 12.3822 k = 0.4265 0.5000-0.0000 ( 6952 PWs) bands (ev): -20.4830 -20.4830 -20.4829 -20.4829 -16.4747 -16.4747 -16.4738 -16.4738 -7.1643 -7.1643 -7.1233 -7.1233 -5.4237 -5.4237 -5.4098 -5.4098 -5.2613 -5.2613 -5.1661 -5.1661 -5.0647 -5.0647 -5.0414 -5.0414 1.7694 1.7694 1.7815 1.7815 2.1205 2.1205 2.1357 2.1357 2.3318 2.3318 2.3444 2.3444 3.3234 3.3234 3.3960 3.3960 4.3300 4.3300 4.5322 4.5322 4.9201 4.9201 5.0204 5.0204 10.3778 10.3778 10.3954 10.3954 11.2737 11.2737 11.3051 11.3051 12.4178 12.4178 k = 0.4412 0.5000-0.0000 ( 6952 PWs) bands (ev): -20.4823 -20.4823 -20.4823 -20.4823 -16.4758 -16.4758 -16.4751 -16.4751 -7.1597 -7.1597 -7.1265 -7.1265 -5.4046 -5.4046 -5.3926 -5.3926 -5.2588 -5.2588 -5.1820 -5.1820 -5.0760 -5.0760 -5.0582 -5.0582 1.7702 1.7702 1.7799 1.7799 2.1283 2.1283 2.1409 2.1409 2.3338 2.3338 2.3441 2.3441 3.3268 3.3268 3.3858 3.3858 4.3425 4.3425 4.5059 4.5059 4.9258 4.9258 5.0066 5.0066 10.3803 10.3803 10.3946 10.3946 11.3153 11.3153 11.3427 11.3427 12.4630 12.4630 k = 0.4559 0.5000-0.0000 ( 6952 PWs) bands (ev): -20.4819 -20.4819 -20.4819 -20.4819 -16.4766 -16.4766 -16.4761 -16.4761 -7.1552 -7.1552 -7.1299 -7.1299 -5.3871 -5.3871 -5.3770 -5.3770 -5.2564 -5.2564 -5.1983 -5.1983 -5.0849 -5.0849 -5.0725 -5.0725 1.7712 1.7712 1.7784 1.7784 2.1350 2.1350 2.1447 2.1447 2.3356 2.3356 2.3435 2.3435 3.3313 3.3313 3.3761 3.3761 4.3570 4.3570 4.4806 4.4806 4.9324 4.9324 4.9934 4.9934 10.3828 10.3828 10.3938 10.3938 11.3502 11.3502 11.3722 11.3722 12.5026 12.5026 k = 0.4706 0.5000-0.0000 ( 6944 PWs) bands (ev): -20.4815 -20.4815 -20.4815 -20.4815 -16.4772 -16.4772 -16.4768 -16.4768 -7.1507 -7.1507 -7.1337 -7.1337 -5.3723 -5.3723 -5.3645 -5.3645 -5.2535 -5.2535 -5.2142 -5.2142 -5.0911 -5.0911 -5.0836 -5.0836 1.7722 1.7722 1.7770 1.7770 2.1403 2.1403 2.1469 2.1469 2.3372 2.3372 2.3425 2.3425 3.3368 3.3368 3.3669 3.3669 4.3735 4.3735 4.4564 4.4564 4.9401 4.9401 4.9809 4.9809 10.3853 10.3853 10.3926 10.3926 11.3774 11.3774 11.3928 11.3928 12.5356 12.5357 k = 0.4853 0.5000-0.0000 ( 6948 PWs) bands (ev): -20.4813 -20.4813 -20.4813 -20.4813 -16.4775 -16.4775 -16.4773 -16.4773 -7.1462 -7.1462 -7.1377 -7.1377 -5.3613 -5.3613 -5.3569 -5.3569 -5.2486 -5.2486 -5.2287 -5.2287 -5.0944 -5.0944 -5.0909 -5.0909 1.7733 1.7733 1.7757 1.7757 2.1443 2.1443 2.1476 2.1476 2.3387 2.3387 2.3414 2.3414 3.3431 3.3431 3.3583 3.3583 4.3918 4.3918 4.4334 4.4334 4.9488 4.9488 4.9693 4.9693 10.3875 10.3875 10.3913 10.3913 11.3958 11.3958 11.4037 11.4037 12.5613 12.5837 k = 0.5000 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1419 -7.1419 -7.1419 -7.1419 -5.3558 -5.3558 -5.3558 -5.3558 -5.2405 -5.2405 -5.2405 -5.2405 -5.0945 -5.0945 -5.0945 -5.0945 1.7745 1.7745 1.7745 1.7745 2.1468 2.1468 2.1468 2.1468 2.3401 2.3401 2.3401 2.3401 3.3503 3.3503 3.3503 3.3503 4.4118 4.4118 4.4118 4.4118 4.9585 4.9585 4.9585 4.9585 10.3895 10.3895 10.3895 10.3895 11.4047 11.4047 11.4047 11.4047 12.5783 12.5783 k = 0.5000 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1419 -7.1419 -7.1419 -7.1419 -5.3558 -5.3558 -5.3558 -5.3558 -5.2405 -5.2405 -5.2405 -5.2405 -5.0945 -5.0945 -5.0945 -5.0945 1.7745 1.7745 1.7745 1.7745 2.1468 2.1468 2.1468 2.1468 2.3401 2.3401 2.3401 2.3401 3.3503 3.3503 3.3503 3.3503 4.4118 4.4118 4.4118 4.4118 4.9585 4.9585 4.9585 4.9585 10.3895 10.3895 10.3895 10.3895 11.4047 11.4047 11.4047 11.4047 12.5783 12.5783 k = 0.4896 0.4896-0.0000 ( 6940 PWs) bands (ev): -20.4814 -20.4814 -20.4812 -20.4812 -16.4775 -16.4775 -16.4773 -16.4773 -7.1462 -7.1462 -7.1377 -7.1377 -5.3615 -5.3615 -5.3567 -5.3567 -5.2485 -5.2485 -5.2287 -5.2287 -5.0947 -5.0947 -5.0907 -5.0907 1.7732 1.7732 1.7757 1.7757 2.1443 2.1443 2.1477 2.1477 2.3386 2.3386 2.3416 2.3416 3.3431 3.3431 3.3583 3.3583 4.3917 4.3917 4.4334 4.4334 4.9488 4.9488 4.9693 4.9693 10.3874 10.3874 10.3914 10.3914 11.3931 11.3931 11.4064 11.4064 12.5599 12.5599 k = 0.4792 0.4792-0.0000 ( 6944 PWs) bands (ev): -20.4818 -20.4818 -20.4812 -20.4812 -16.4772 -16.4772 -16.4768 -16.4768 -7.1507 -7.1507 -7.1336 -7.1336 -5.3739 -5.3739 -5.3630 -5.3630 -5.2529 -5.2529 -5.2146 -5.2146 -5.0927 -5.0927 -5.0821 -5.0821 1.7717 1.7717 1.7775 1.7775 2.1401 2.1401 2.1472 2.1472 2.3361 2.3361 2.3436 2.3436 3.3366 3.3366 3.3670 3.3670 4.3733 4.3733 4.4565 4.4565 4.9400 4.9400 4.9810 4.9810 10.3844 10.3844 10.3935 10.3935 11.3632 11.3632 11.4076 11.4076 12.5265 12.5265 k = 0.4688 0.4687-0.0000 ( 6944 PWs) bands (ev): -20.4826 -20.4826 -20.4811 -20.4811 -16.4766 -16.4766 -16.4761 -16.4761 -7.1554 -7.1554 -7.1297 -7.1297 -5.3913 -5.3913 -5.3732 -5.3732 -5.2543 -5.2543 -5.1997 -5.1997 -5.0886 -5.0886 -5.0692 -5.0692 1.7697 1.7697 1.7798 1.7798 2.1343 2.1343 2.1454 2.1454 2.3324 2.3324 2.3465 2.3465 3.3309 3.3309 3.3766 3.3766 4.3566 4.3566 4.4810 4.4810 4.9323 4.9323 4.9936 4.9936 10.3802 10.3802 10.3962 10.3962 11.3162 11.3162 11.4094 11.4094 12.4789 12.4789 k = 0.4583 0.4583-0.0000 ( 6944 PWs) bands (ev): -20.4836 -20.4836 -20.4811 -20.4811 -16.4758 -16.4758 -16.4750 -16.4750 -7.1602 -7.1602 -7.1260 -7.1260 -5.4122 -5.4122 -5.3858 -5.3858 -5.2536 -5.2536 -5.1854 -5.1854 -5.0822 -5.0822 -5.0531 -5.0531 1.7672 1.7672 1.7830 1.7830 2.1270 2.1270 2.1425 2.1425 2.3274 2.3274 2.3502 2.3502 3.3261 3.3261 3.3869 3.3869 4.3416 4.3416 4.5066 4.5066 4.9256 4.9256 5.0070 5.0070 10.3748 10.3748 10.3996 10.3996 11.2555 11.2555 11.4119 11.4119 12.4212 12.4212 k = 0.4479 0.4479-0.0000 ( 6930 PWs) bands (ev): -20.4850 -20.4850 -20.4810 -20.4810 -16.4747 -16.4747 -16.4737 -16.4737 -7.1652 -7.1652 -7.1223 -7.1223 -5.4352 -5.4352 -5.3997 -5.3997 -5.2516 -5.2516 -5.1729 -5.1729 -5.0730 -5.0730 -5.0349 -5.0349 1.7640 1.7640 1.7870 1.7870 2.1182 2.1182 2.1386 2.1386 2.3210 2.3210 2.3544 2.3544 3.3221 3.3221 3.3982 3.3982 4.3283 4.3283 4.5332 4.5332 4.9199 4.9199 5.0211 5.0211 10.3683 10.3683 10.4036 10.4036 11.1849 11.1849 11.4151 11.4151 12.3570 12.3570 k = 0.4375 0.4375-0.0000 ( 6928 PWs) bands (ev): -20.4866 -20.4866 -20.4809 -20.4809 -16.4734 -16.4734 -16.4721 -16.4721 -7.1702 -7.1702 -7.1188 -7.1188 -5.4596 -5.4596 -5.4143 -5.4143 -5.2486 -5.2486 -5.1628 -5.1628 -5.0607 -5.0607 -5.0154 -5.0154 1.7604 1.7604 1.7918 1.7918 2.1083 2.1083 2.1338 2.1338 2.3133 2.3133 2.3589 2.3589 3.3191 3.3191 3.4103 3.4103 4.3166 4.3166 4.5606 4.5606 4.9151 4.9151 5.0359 5.0359 10.3610 10.3610 10.4080 10.4080 11.1081 11.1081 11.4189 11.4189 12.2885 12.2885 k = 0.4271 0.4271-0.0000 ( 6932 PWs) bands (ev): -20.4885 -20.4885 -20.4808 -20.4808 -16.4719 -16.4719 -16.4702 -16.4702 -7.1754 -7.1754 -7.1155 -7.1155 -5.4847 -5.4847 -5.4289 -5.4289 -5.2447 -5.2447 -5.1553 -5.1553 -5.0457 -5.0457 -4.9953 -4.9953 1.7563 1.7563 1.7974 1.7974 2.0974 2.0974 2.1282 2.1282 2.3043 2.3043 2.3637 2.3637 3.3172 3.3172 3.4234 3.4234 4.3066 4.3066 4.5885 4.5885 4.9111 4.9111 5.0514 5.0514 10.3531 10.3531 10.4127 10.4127 11.0281 11.0281 11.4232 11.4232 12.2170 12.2170 k = 0.4167 0.4167-0.0000 ( 6920 PWs) bands (ev): -20.4906 -20.4906 -20.4806 -20.4806 -16.4701 -16.4701 -16.4681 -16.4681 -7.1807 -7.1807 -7.1122 -7.1122 -5.5101 -5.5101 -5.4433 -5.4433 -5.2401 -5.2401 -5.1498 -5.1498 -5.0286 -5.0286 -4.9752 -4.9752 1.7519 1.7519 1.8039 1.8039 2.0858 2.0858 2.1218 2.1218 2.2940 2.2940 2.3683 2.3683 3.3166 3.3166 3.4374 3.4374 4.2982 4.2982 4.6167 4.6167 4.9079 4.9079 5.0674 5.0674 10.3449 10.3449 10.4172 10.4172 10.9478 10.9478 11.4281 11.4281 12.1435 12.1435 k = 0.4062 0.4062-0.0000 ( 6924 PWs) bands (ev): -20.4930 -20.4930 -20.4805 -20.4805 -16.4681 -16.4681 -16.4658 -16.4658 -7.1861 -7.1861 -7.1090 -7.1090 -5.5356 -5.5356 -5.4572 -5.4572 -5.2349 -5.2349 -5.1459 -5.1459 -5.0102 -5.0102 -4.9555 -4.9555 1.7472 1.7472 1.8112 1.8112 2.0735 2.0735 2.1148 2.1148 2.2826 2.2826 2.3729 2.3729 3.3173 3.3173 3.4524 3.4524 4.2913 4.2913 4.6449 4.6449 4.9053 4.9053 5.0839 5.0839 10.3366 10.3366 10.4215 10.4215 10.8694 10.8694 11.4334 11.4334 12.0688 12.0688 k = 0.3958 0.3958-0.0000 ( 6922 PWs) bands (ev): -20.4957 -20.4957 -20.4803 -20.4803 -16.4658 -16.4658 -16.4632 -16.4632 -7.1915 -7.1915 -7.1060 -7.1060 -5.5609 -5.5609 -5.4705 -5.4705 -5.2290 -5.2290 -5.1430 -5.1430 -4.9910 -4.9910 -4.9364 -4.9364 1.7424 1.7424 1.8193 1.8193 2.0608 2.0608 2.1073 2.1073 2.2701 2.2701 2.3771 2.3771 3.3196 3.3196 3.4683 3.4683 4.2858 4.2858 4.6728 4.6728 4.9032 4.9032 5.1008 5.1008 10.3285 10.3285 10.4251 10.4251 10.7946 10.7946 11.4391 11.4391 11.9933 11.9933 k = 0.3854 0.3854-0.0000 ( 6910 PWs) bands (ev): -20.4986 -20.4986 -20.4801 -20.4801 -16.4634 -16.4634 -16.4604 -16.4604 -7.1970 -7.1970 -7.1030 -7.1030 -5.5858 -5.5858 -5.4829 -5.4829 -5.2225 -5.2225 -5.1408 -5.1408 -4.9716 -4.9716 -4.9184 -4.9184 1.7375 1.7375 1.8282 1.8282 2.0477 2.0477 2.0992 2.0992 2.2566 2.2566 2.3810 2.3810 3.3234 3.3234 3.4851 3.4851 4.2817 4.2817 4.7003 4.7003 4.9013 4.9013 5.1181 5.1181 10.3206 10.3206 10.4277 10.4277 10.7251 10.7251 11.4450 11.4450 11.9176 11.9176 k = 0.3750 0.3750-0.0000 ( 6922 PWs) bands (ev): -20.5017 -20.5017 -20.4799 -20.4799 -16.4608 -16.4608 -16.4573 -16.4573 -7.2024 -7.2024 -7.1001 -7.1001 -5.6102 -5.6102 -5.4946 -5.4946 -5.2155 -5.2155 -5.1390 -5.1390 -4.9524 -4.9524 -4.9015 -4.9015 1.7326 1.7326 1.8377 1.8377 2.0344 2.0344 2.0908 2.0908 2.2421 2.2421 2.3843 2.3843 3.3290 3.3290 3.5029 3.5029 4.2789 4.2789 4.7272 4.7272 4.8996 4.8996 5.1359 5.1359 10.3132 10.3132 10.4292 10.4292 10.6621 10.6621 11.4509 11.4509 11.8423 11.8423 k = 0.3646 0.3646-0.0000 ( 6928 PWs) bands (ev): -20.5050 -20.5050 -20.4797 -20.4797 -16.4580 -16.4580 -16.4541 -16.4541 -7.2078 -7.2078 -7.0973 -7.0973 -5.6340 -5.6340 -5.5053 -5.5053 -5.2080 -5.2080 -5.1376 -5.1376 -4.9337 -4.9337 -4.8859 -4.8859 1.7280 1.7280 1.8480 1.8480 2.0211 2.0211 2.0820 2.0820 2.2268 2.2268 2.3872 2.3872 3.3364 3.3364 3.5216 3.5216 4.2772 4.2772 4.7532 4.7532 4.8978 4.8978 5.1540 5.1540 10.3063 10.3063 10.4292 10.4292 10.6067 10.6067 11.4566 11.4566 11.7678 11.7678 k = 0.3542 0.3542-0.0000 ( 6940 PWs) bands (ev): -20.5086 -20.5086 -20.4794 -20.4794 -16.4550 -16.4550 -16.4507 -16.4507 -7.2131 -7.2131 -7.0945 -7.0945 -5.6570 -5.6570 -5.5152 -5.5152 -5.2000 -5.2000 -5.1363 -5.1363 -4.9156 -4.9156 -4.8719 -4.8719 1.7235 1.7235 1.8588 1.8588 2.0077 2.0077 2.0730 2.0730 2.2109 2.2109 2.3895 2.3895 3.3457 3.3457 3.5412 3.5412 4.2767 4.2767 4.7781 4.7781 4.8958 4.8958 5.1725 5.1725 10.2997 10.2997 10.4276 10.4276 10.5599 10.5599 11.4615 11.4615 11.6946 11.6946 k = 0.3438 0.3437-0.0000 ( 6926 PWs) bands (ev): -20.5122 -20.5122 -20.4792 -20.4792 -16.4519 -16.4519 -16.4471 -16.4471 -7.2183 -7.2183 -7.0919 -7.0919 -5.6792 -5.6792 -5.5241 -5.5241 -5.1915 -5.1915 -5.1351 -5.1351 -4.8983 -4.8983 -4.8594 -4.8594 1.7195 1.7195 1.8702 1.8702 1.9944 1.9944 2.0639 2.0639 2.1943 2.1943 2.3912 2.3912 3.3568 3.3568 3.5617 3.5617 4.2773 4.2773 4.8019 4.8019 4.8935 4.8935 5.1913 5.1913 10.2936 10.2936 10.4242 10.4242 10.5225 10.5225 11.4647 11.4647 11.6236 11.6236 k = 0.3333 0.3333-0.0000 ( 6932 PWs) bands (ev): -20.5161 -20.5161 -20.4790 -20.4790 -16.4486 -16.4486 -16.4434 -16.4434 -7.2233 -7.2233 -7.0893 -7.0893 -5.7005 -5.7005 -5.5321 -5.5321 -5.1826 -5.1826 -5.1339 -5.1339 -4.8820 -4.8820 -4.8487 -4.8487 1.7159 1.7159 1.8819 1.8819 1.9813 1.9813 2.0548 2.0548 2.1773 2.1773 2.3923 2.3923 3.3698 3.3698 3.5831 3.5831 4.2787 4.2787 4.8241 4.8241 4.8911 4.8911 5.2105 5.2105 10.2878 10.2878 10.4189 10.4189 10.4949 10.4949 11.4641 11.4641 11.5563 11.5563 k = 0.3229 0.3229-0.0000 ( 6946 PWs) bands (ev): -20.5201 -20.5201 -20.4787 -20.4787 -16.4452 -16.4452 -16.4396 -16.4396 -7.2281 -7.2281 -7.0867 -7.0867 -5.7208 -5.7208 -5.5392 -5.5392 -5.1733 -5.1733 -5.1327 -5.1327 -4.8669 -4.8669 -4.8398 -4.8398 1.7128 1.7128 1.8939 1.8939 1.9685 1.9685 2.0458 2.0458 2.1599 2.1599 2.3927 2.3927 3.3846 3.3846 3.6053 3.6053 4.2811 4.2811 4.8434 4.8434 4.8897 4.8897 5.2300 5.2300 10.2828 10.2828 10.4118 10.4118 10.4770 10.4770 11.4508 11.4508 11.5007 11.5007 k = 0.3125 0.3125-0.0000 ( 6942 PWs) bands (ev): -20.5242 -20.5242 -20.4784 -20.4784 -16.4417 -16.4417 -16.4356 -16.4356 -7.2327 -7.2327 -7.0843 -7.0843 -5.7400 -5.7400 -5.5455 -5.5455 -5.1637 -5.1637 -5.1314 -5.1314 -4.8530 -4.8530 -4.8326 -4.8326 1.7102 1.7102 1.9060 1.9060 1.9560 1.9560 2.0371 2.0371 2.1423 2.1423 2.3925 2.3925 3.4009 3.4009 3.6285 3.6285 4.2843 4.2843 4.8560 4.8560 4.8932 4.8932 5.2498 5.2498 10.2791 10.2791 10.4032 10.4032 10.4684 10.4684 11.4057 11.4057 11.4739 11.4739 k = 0.3021 0.3021-0.0000 ( 6946 PWs) bands (ev): -20.5284 -20.5284 -20.4782 -20.4782 -16.4381 -16.4381 -16.4315 -16.4315 -7.2370 -7.2370 -7.0819 -7.0819 -5.7582 -5.7582 -5.5509 -5.5509 -5.1537 -5.1537 -5.1300 -5.1300 -4.8407 -4.8407 -4.8271 -4.8271 1.7083 1.7083 1.9176 1.9176 1.9440 1.9440 2.0291 2.0291 2.1246 2.1246 2.3916 2.3916 3.4186 3.4186 3.6527 3.6527 4.2884 4.2884 4.8576 4.8576 4.9058 4.9058 5.2699 5.2699 10.2774 10.2774 10.3931 10.3931 10.4683 10.4683 11.3477 11.3477 11.4539 11.4539 k = 0.2917 0.2917-0.0000 ( 6944 PWs) bands (ev): -20.5327 -20.5327 -20.4779 -20.4779 -16.4344 -16.4344 -16.4274 -16.4274 -7.2410 -7.2410 -7.0797 -7.0797 -5.7753 -5.7753 -5.5555 -5.5555 -5.1436 -5.1436 -5.1284 -5.1284 -4.8310 -4.8310 -4.8221 -4.8221 1.7069 1.7069 1.9271 1.9271 1.9338 1.9338 2.0221 2.0221 2.1071 2.1071 2.3901 2.3901 3.4375 3.4375 3.6780 3.6780 4.2932 4.2932 4.8522 4.8522 4.9237 4.9237 5.2901 5.2901 10.2783 10.2783 10.3815 10.3815 10.4761 10.4761 11.2904 11.2904 11.4229 11.4229 k = 0.2812 0.2812-0.0000 ( 6954 PWs) bands (ev): -20.5371 -20.5371 -20.4776 -20.4776 -16.4306 -16.4306 -16.4232 -16.4232 -7.2447 -7.2447 -7.0775 -7.0775 -5.7911 -5.7911 -5.5594 -5.5594 -5.1335 -5.1335 -5.1265 -5.1265 -4.8266 -4.8266 -4.8151 -4.8151 1.7062 1.7062 1.9200 1.9200 1.9390 1.9390 2.0168 2.0168 2.0898 2.0898 2.3880 2.3880 3.4571 3.4571 3.7044 3.7044 4.2988 4.2988 4.8435 4.8435 4.9434 4.9434 5.3105 5.3105 10.2820 10.2820 10.3688 10.3688 10.4913 10.4913 11.2361 11.2361 11.3745 11.3745 k = 0.2708 0.2708-0.0000 ( 6934 PWs) bands (ev): -20.5415 -20.5415 -20.4773 -20.4773 -16.4268 -16.4268 -16.4189 -16.4189 -7.2479 -7.2479 -7.0754 -7.0754 -5.8059 -5.8059 -5.5625 -5.5625 -5.1262 -5.1262 -5.1214 -5.1214 -4.8266 -4.8266 -4.8070 -4.8070 1.7062 1.7062 1.9095 1.9095 1.9453 1.9453 2.0147 2.0147 2.0730 2.0730 2.3853 2.3853 3.4770 3.4770 3.7321 3.7321 4.3053 4.3053 4.8328 4.8328 4.9639 4.9639 5.3309 5.3309 10.2880 10.2880 10.3556 10.3556 10.5134 10.5134 11.1856 11.1856 11.3069 11.3069 k = 0.2604 0.2604-0.0000 ( 6934 PWs) bands (ev): -20.5459 -20.5459 -20.4771 -20.4771 -16.4229 -16.4229 -16.4146 -16.4146 -7.2508 -7.2508 -7.0734 -7.0734 -5.8194 -5.8194 -5.5650 -5.5650 -5.1237 -5.1237 -5.1113 -5.1113 -4.8292 -4.8292 -4.7996 -4.7996 1.7066 1.7066 1.8993 1.8993 1.9476 1.9476 2.0164 2.0164 2.0571 2.0571 2.3820 2.3820 3.4968 3.4968 3.7611 3.7611 4.3125 4.3125 4.8208 4.8208 4.9849 4.9849 5.3513 5.3513 10.2942 10.2942 10.3435 10.3435 10.5422 10.5422 11.1395 11.1395 11.2227 11.2227 k = 0.2500 0.2500-0.0000 ( 6932 PWs) bands (ev): -20.5504 -20.5504 -20.4768 -20.4768 -16.4190 -16.4190 -16.4103 -16.4103 -7.2533 -7.2533 -7.0716 -7.0716 -5.8316 -5.8316 -5.5668 -5.5668 -5.1215 -5.1215 -5.1007 -5.1007 -4.8339 -4.8339 -4.7933 -4.7933 1.7076 1.7076 1.8897 1.8897 1.9457 1.9457 2.0208 2.0208 2.0434 2.0434 2.3782 2.3782 3.5160 3.5160 3.7916 3.7916 4.3207 4.3207 4.8079 4.8079 5.0066 5.0066 5.3714 5.3714 10.2956 10.2956 10.3375 10.3375 10.5774 10.5774 11.0963 11.0963 11.1285 11.1285 k = 0.2396 0.2396-0.0000 ( 6934 PWs) bands (ev): -20.5548 -20.5548 -20.4765 -20.4765 -16.4151 -16.4151 -16.4061 -16.4061 -7.2553 -7.2553 -7.0699 -7.0699 -5.8427 -5.8427 -5.5680 -5.5680 -5.1193 -5.1193 -5.0900 -5.0900 -4.8404 -4.8404 -4.7882 -4.7882 1.7090 1.7090 1.8806 1.8806 1.9406 1.9406 2.0190 2.0190 2.0399 2.0399 2.3738 2.3738 3.5340 3.5340 3.8236 3.8236 4.3297 4.3297 4.7944 4.7944 5.0288 5.0288 5.3913 5.3913 10.2866 10.2866 10.3423 10.3423 10.6189 10.6189 11.0179 11.0179 11.0675 11.0675 k = 0.2292 0.2292-0.0000 ( 6946 PWs) bands (ev): -20.5592 -20.5592 -20.4762 -20.4762 -16.4112 -16.4112 -16.4018 -16.4018 -7.2569 -7.2569 -7.0684 -7.0684 -5.8525 -5.8525 -5.5686 -5.5686 -5.1170 -5.1170 -5.0794 -5.0794 -4.8487 -4.8487 -4.7842 -4.7842 1.7107 1.7107 1.8722 1.8722 1.9336 1.9336 2.0077 2.0077 2.0487 2.0487 2.3690 2.3690 3.5504 3.5504 3.8571 3.8571 4.3396 4.3396 4.7808 4.7808 5.0519 5.0519 5.4108 5.4108 10.2709 10.2709 10.3539 10.3539 10.6661 10.6661 10.9107 10.9107 11.0370 11.0370 k = 0.2188 0.2187-0.0000 ( 6958 PWs) bands (ev): -20.5636 -20.5636 -20.4759 -20.4759 -16.4073 -16.4073 -16.3976 -16.3976 -7.2580 -7.2580 -7.0670 -7.0670 -5.8611 -5.8611 -5.5687 -5.5687 -5.1147 -5.1147 -5.0689 -5.0689 -4.8585 -4.8585 -4.7813 -4.7813 1.7126 1.7126 1.8645 1.8645 1.9256 1.9256 1.9953 1.9953 2.0605 2.0605 2.3637 2.3637 3.5650 3.5650 3.8918 3.8918 4.3504 4.3504 4.7675 4.7675 5.0759 5.0759 5.4297 5.4297 10.2523 10.2523 10.3676 10.3676 10.7177 10.7177 10.8012 10.8012 11.0141 11.0141 k = 0.2083 0.2083-0.0000 ( 6950 PWs) bands (ev): -20.5679 -20.5679 -20.4757 -20.4757 -16.4035 -16.4035 -16.3935 -16.3935 -7.2587 -7.2587 -7.0658 -7.0658 -5.8685 -5.8685 -5.5681 -5.5681 -5.1124 -5.1124 -5.0588 -5.0588 -4.8698 -4.8698 -4.7795 -4.7795 1.7146 1.7146 1.8574 1.8574 1.9169 1.9169 1.9837 1.9837 2.0732 2.0732 2.3581 2.3581 3.5774 3.5774 3.9276 3.9276 4.3620 4.3620 4.7549 4.7549 5.1010 5.1010 5.4480 5.4480 10.2323 10.2323 10.3817 10.3817 10.6868 10.6868 10.7783 10.7783 10.9981 10.9981 k = 0.1979 0.1979-0.0000 ( 6952 PWs) bands (ev): -20.5721 -20.5721 -20.4754 -20.4754 -16.3997 -16.3997 -16.3895 -16.3895 -7.2589 -7.2589 -7.0649 -7.0649 -5.8748 -5.8748 -5.5670 -5.5670 -5.1102 -5.1102 -5.0491 -5.0491 -4.8820 -4.8820 -4.7787 -4.7787 1.7166 1.7166 1.8510 1.8510 1.9078 1.9078 1.9730 1.9730 2.0863 2.0863 2.3522 2.3522 3.5874 3.5874 3.9642 3.9642 4.3742 4.3742 4.7435 4.7435 5.1272 5.1272 5.4656 5.4656 10.2112 10.2112 10.3951 10.3951 10.5773 10.5773 10.8383 10.8383 10.9894 10.9894 k = 0.1875 0.1875-0.0000 ( 6952 PWs) bands (ev): -20.5762 -20.5762 -20.4752 -20.4752 -16.3960 -16.3960 -16.3855 -16.3855 -7.2586 -7.2586 -7.0641 -7.0641 -5.8798 -5.8798 -5.5653 -5.5653 -5.1082 -5.1082 -5.0401 -5.0401 -4.8950 -4.8950 -4.7789 -4.7789 1.7185 1.7185 1.8452 1.8452 1.8987 1.8987 1.9635 1.9635 2.0993 2.0993 2.3460 2.3460 3.5951 3.5951 4.0010 4.0010 4.3871 4.3871 4.7337 4.7337 5.1548 5.1548 5.4824 5.4824 10.1895 10.1895 10.4070 10.4070 10.4688 10.4688 10.9017 10.9017 10.9881 10.9881 k = 0.1771 0.1771-0.0000 ( 6948 PWs) bands (ev): -20.5802 -20.5802 -20.4749 -20.4749 -16.3924 -16.3924 -16.3817 -16.3817 -7.2579 -7.2579 -7.0635 -7.0635 -5.8838 -5.8838 -5.5631 -5.5631 -5.1067 -5.1067 -5.0321 -5.0321 -4.9081 -4.9081 -4.7799 -4.7799 1.7201 1.7201 1.8400 1.8400 1.8898 1.8898 1.9551 1.9551 2.1122 2.1122 2.3396 2.3396 3.6004 3.6004 4.0376 4.0376 4.4004 4.4004 4.7258 4.7258 5.1837 5.1837 5.4983 5.4983 10.1672 10.1672 10.3619 10.3619 10.4175 10.4175 10.9664 10.9664 10.9944 10.9944 k = 0.1667 0.1667-0.0000 ( 6940 PWs) bands (ev): -20.5841 -20.5841 -20.4747 -20.4747 -16.3890 -16.3890 -16.3780 -16.3780 -7.2568 -7.2568 -7.0632 -7.0632 -5.8867 -5.8867 -5.5602 -5.5602 -5.1058 -5.1058 -5.0255 -5.0255 -4.9205 -4.9205 -4.7816 -4.7816 1.7214 1.7214 1.8354 1.8354 1.8811 1.8811 1.9477 1.9477 2.1248 2.1248 2.3331 2.3331 3.6034 3.6034 4.0736 4.0736 4.4139 4.4139 4.7201 4.7201 5.2140 5.2140 5.5134 5.5134 10.1447 10.1447 10.2588 10.2588 10.4248 10.4248 11.0072 11.0072 11.0319 11.0319 k = 0.1562 0.1562-0.0000 ( 6928 PWs) bands (ev): -20.5878 -20.5878 -20.4745 -20.4745 -16.3856 -16.3856 -16.3744 -16.3744 -7.2553 -7.2553 -7.0631 -7.0631 -5.8886 -5.8886 -5.5567 -5.5567 -5.1061 -5.1061 -5.0211 -5.0211 -4.9311 -4.9311 -4.7840 -4.7840 1.7222 1.7222 1.8314 1.8314 1.8730 1.8730 1.9412 1.9412 2.1370 2.1370 2.3266 2.3266 3.6044 3.6044 4.1084 4.1084 4.4274 4.4274 4.7167 4.7167 5.2458 5.2458 5.5275 5.5275 10.1213 10.1213 10.1599 10.1599 10.4291 10.4291 11.0285 11.0285 11.0941 11.0941 k = 0.1458 0.1458-0.0000 ( 6924 PWs) bands (ev): -20.5914 -20.5914 -20.4742 -20.4742 -16.3824 -16.3824 -16.3710 -16.3710 -7.2535 -7.2535 -7.0632 -7.0632 -5.8897 -5.8897 -5.5525 -5.5525 -5.1082 -5.1082 -5.0192 -5.0192 -4.9386 -4.9386 -4.7869 -4.7869 1.7226 1.7226 1.8278 1.8278 1.8656 1.8656 1.9356 1.9356 2.1486 2.1486 2.3202 2.3202 3.6034 3.6034 4.1416 4.1416 4.4409 4.4409 4.7156 4.7156 5.2789 5.2789 5.5407 5.5407 10.0612 10.0612 10.1019 10.1019 10.4298 10.4298 11.0569 11.0569 11.1492 11.1492 k = 0.1354 0.1354-0.0000 ( 6930 PWs) bands (ev): -20.5947 -20.5947 -20.4740 -20.4740 -16.3793 -16.3793 -16.3678 -16.3678 -7.2513 -7.2513 -7.0636 -7.0636 -5.8899 -5.8899 -5.5475 -5.5475 -5.1129 -5.1129 -5.0200 -5.0200 -4.9422 -4.9422 -4.7904 -4.7904 1.7226 1.7226 1.8246 1.8246 1.8588 1.8588 1.9308 1.9308 2.1597 2.1597 2.3139 2.3139 3.6009 3.6009 4.1728 4.1728 4.4544 4.4544 4.7165 4.7165 5.3132 5.3132 5.5531 5.5531 9.9706 9.9706 10.0794 10.0794 10.4266 10.4266 11.0920 11.0920 11.1514 11.1514 k = 0.1250 0.1250-0.0000 ( 6934 PWs) bands (ev): -20.5979 -20.5979 -20.4739 -20.4739 -16.3764 -16.3764 -16.3648 -16.3648 -7.2489 -7.2489 -7.0642 -7.0642 -5.8894 -5.8894 -5.5417 -5.5417 -5.1209 -5.1209 -5.0223 -5.0223 -4.9422 -4.9422 -4.7942 -4.7942 1.7221 1.7221 1.8218 1.8218 1.8529 1.8529 1.9267 1.9267 2.1700 2.1700 2.3079 2.3079 3.5969 3.5969 4.2016 4.2016 4.4677 4.4677 4.7192 4.7192 5.3483 5.3483 5.5648 5.5648 9.8843 9.8843 10.0583 10.0583 10.4190 10.4190 11.0993 11.0993 11.1348 11.1348 k = 0.1146 0.1146-0.0000 ( 6926 PWs) bands (ev): -20.6009 -20.6009 -20.4737 -20.4737 -16.3737 -16.3737 -16.3619 -16.3619 -7.2463 -7.2463 -7.0649 -7.0649 -5.8884 -5.8884 -5.5351 -5.5351 -5.1325 -5.1325 -5.0245 -5.0245 -4.9397 -4.9397 -4.7982 -4.7982 1.7213 1.7213 1.8193 1.8193 1.8476 1.8476 1.9233 1.9233 2.1794 2.1794 2.3024 2.3024 3.5919 3.5919 4.2280 4.2280 4.4811 4.4811 4.7231 4.7231 5.3838 5.3838 5.5760 5.5760 9.8031 9.8031 10.0383 10.0383 10.4066 10.4066 11.0487 11.0487 11.1126 11.1126 k = 0.1042 0.1042-0.0000 ( 6924 PWs) bands (ev): -20.6037 -20.6037 -20.4735 -20.4735 -16.3711 -16.3711 -16.3593 -16.3593 -7.2435 -7.2435 -7.0659 -7.0659 -5.8868 -5.8868 -5.5276 -5.5276 -5.1476 -5.1476 -5.0257 -5.0257 -4.9359 -4.9359 -4.8024 -4.8024 1.7202 1.7202 1.8171 1.8171 1.8432 1.8432 1.9204 1.9204 2.1879 2.1879 2.2973 2.2973 3.5861 3.5861 4.2517 4.2517 4.4945 4.4945 4.7278 4.7278 5.4189 5.4189 5.5869 5.5869 9.7275 9.7275 10.0194 10.0194 10.3888 10.3888 10.9942 10.9942 11.0394 11.0394 k = 0.0938 0.0937-0.0000 ( 6928 PWs) bands (ev): -20.6062 -20.6062 -20.4734 -20.4734 -16.3688 -16.3688 -16.3569 -16.3569 -7.2407 -7.2407 -7.0670 -7.0670 -5.8849 -5.8849 -5.5191 -5.5191 -5.1654 -5.1654 -5.0257 -5.0257 -4.9314 -4.9314 -4.8067 -4.8067 1.7188 1.7188 1.8152 1.8152 1.8393 1.8393 1.9179 1.9179 2.1954 2.1954 2.2930 2.2930 3.5798 3.5798 4.2729 4.2729 4.5077 4.5077 4.7328 4.7328 5.4526 5.4526 5.5982 5.5982 9.6579 9.6579 10.0018 10.0018 10.3654 10.3654 10.9296 10.9296 10.9840 10.9840 k = 0.0833 0.0833-0.0000 ( 6928 PWs) bands (ev): -20.6085 -20.6085 -20.4732 -20.4732 -16.3667 -16.3667 -16.3547 -16.3547 -7.2378 -7.2378 -7.0682 -7.0682 -5.8828 -5.8828 -5.5096 -5.5096 -5.1851 -5.1851 -5.0247 -5.0247 -4.9269 -4.9269 -4.8108 -4.8108 1.7174 1.7174 1.8135 1.8135 1.8361 1.8361 1.9159 1.9159 2.2016 2.2016 2.2894 2.2894 3.5733 3.5733 4.2915 4.2915 4.5207 4.5207 4.7376 4.7376 5.4837 5.4837 5.6103 5.6103 9.5947 9.5947 9.9857 9.9857 10.3365 10.3365 10.8648 10.8648 10.9425 10.9425 k = 0.0729 0.0729-0.0000 ( 6918 PWs) bands (ev): -20.6105 -20.6105 -20.4731 -20.4731 -16.3648 -16.3648 -16.3527 -16.3527 -7.2350 -7.2350 -7.0694 -7.0694 -5.8806 -5.8806 -5.4991 -5.4991 -5.2060 -5.2060 -5.0231 -5.0231 -4.9225 -4.9225 -4.8149 -4.8149 1.7159 1.7159 1.8121 1.8121 1.8334 1.8334 1.9143 1.9143 2.2066 2.2066 2.2867 2.2867 3.5668 3.5668 4.3077 4.3077 4.5332 4.5332 4.7421 4.7421 5.5107 5.5107 5.6240 5.6240 9.5380 9.5380 9.9711 9.9711 10.3030 10.3030 10.8088 10.8088 10.9080 10.9080 k = 0.0625 0.0625-0.0000 ( 6910 PWs) bands (ev): -20.6123 -20.6123 -20.4730 -20.4730 -16.3632 -16.3632 -16.3510 -16.3510 -7.2323 -7.2323 -7.0707 -7.0707 -5.8784 -5.8784 -5.4877 -5.4877 -5.2274 -5.2274 -5.0211 -5.0211 -4.9186 -4.9186 -4.8186 -4.8186 1.7145 1.7145 1.8109 1.8109 1.8311 1.8311 1.9129 1.9129 2.2104 2.2104 2.2849 2.2849 3.5607 3.5607 4.3215 4.3215 4.5449 4.5449 4.7459 4.7459 5.5324 5.5324 5.6398 5.6398 9.4883 9.4883 9.9584 9.9584 10.2666 10.2666 10.7634 10.7634 10.8786 10.8786 k = 0.0521 0.0521-0.0000 ( 6912 PWs) bands (ev): -20.6138 -20.6138 -20.4729 -20.4729 -16.3618 -16.3618 -16.3496 -16.3496 -7.2299 -7.2299 -7.0719 -7.0719 -5.8764 -5.8764 -5.4755 -5.4755 -5.2487 -5.2487 -5.0191 -5.0191 -4.9151 -4.9151 -4.8220 -4.8220 1.7132 1.7132 1.8100 1.8100 1.8293 1.8293 1.9119 1.9119 2.2131 2.2131 2.2839 2.2839 3.5550 3.5550 4.3333 4.3333 4.5555 4.5555 4.7491 4.7491 5.5486 5.5486 5.6570 5.6570 9.4457 9.4457 9.9474 9.9474 10.2300 10.2300 10.7283 10.7283 10.8538 10.8538 k = 0.0417 0.0417-0.0000 ( 6906 PWs) bands (ev): -20.6151 -20.6151 -20.4728 -20.4728 -16.3606 -16.3606 -16.3484 -16.3484 -7.2277 -7.2277 -7.0729 -7.0729 -5.8746 -5.8746 -5.4628 -5.4628 -5.2693 -5.2693 -5.0172 -5.0172 -4.9122 -4.9122 -4.8248 -4.8248 1.7120 1.7120 1.8093 1.8093 1.8278 1.8278 1.9110 1.9110 2.2148 2.2148 2.2835 2.2835 3.5502 3.5502 4.3428 4.3428 4.5646 4.5646 4.7515 4.7515 5.5600 5.5600 5.6744 5.6744 9.4106 9.4106 9.9383 9.9383 10.1957 10.1957 10.7020 10.7020 10.8336 10.8336 k = 0.0312 0.0312-0.0000 ( 6900 PWs) bands (ev): -20.6160 -20.6160 -20.4728 -20.4728 -16.3597 -16.3597 -16.3475 -16.3475 -7.2260 -7.2260 -7.0739 -7.0739 -5.8731 -5.8731 -5.4501 -5.4501 -5.2883 -5.2883 -5.0155 -5.0155 -4.9100 -4.9100 -4.8272 -4.8272 1.7111 1.7111 1.8087 1.8087 1.8266 1.8266 1.9104 1.9104 2.2157 2.2157 2.2835 2.2835 3.5462 3.5462 4.3503 4.3503 4.5720 4.5720 4.7533 4.7533 5.5676 5.5676 5.6899 5.6899 9.3831 9.3831 9.9312 9.9312 10.1663 10.1663 10.6830 10.6830 10.8179 10.8179 k = 0.0208 0.0208-0.0000 ( 6912 PWs) bands (ev): -20.6167 -20.6167 -20.4727 -20.4727 -16.3590 -16.3590 -16.3468 -16.3468 -7.2247 -7.2247 -7.0746 -7.0746 -5.8720 -5.8720 -5.4385 -5.4385 -5.3047 -5.3047 -5.0142 -5.0142 -4.9084 -4.9084 -4.8289 -4.8289 1.7104 1.7104 1.8084 1.8084 1.8258 1.8258 1.9099 1.9099 2.2162 2.2162 2.2838 2.2838 3.5433 3.5433 4.3557 4.3557 4.5775 4.5775 4.7545 4.7545 5.5724 5.5724 5.7020 5.7020 9.3633 9.3633 9.9261 9.9261 10.1439 10.1439 10.6703 10.6703 10.8067 10.8067 k = 0.0104 0.0104-0.0000 ( 6910 PWs) bands (ev): -20.6172 -20.6172 -20.4727 -20.4727 -16.3587 -16.3587 -16.3464 -16.3464 -7.2239 -7.2239 -7.0750 -7.0750 -5.8713 -5.8713 -5.4297 -5.4297 -5.3163 -5.3163 -5.0134 -5.0134 -4.9074 -4.9074 -4.8299 -4.8299 1.7100 1.7100 1.8082 1.8082 1.8253 1.8253 1.9097 1.9097 2.2164 2.2164 2.2840 2.2840 3.5414 3.5414 4.3589 4.3589 4.5808 4.5808 4.7552 4.7552 5.5751 5.5751 5.7097 5.7097 9.3513 9.3513 9.9230 9.9230 10.1299 10.1299 10.6630 10.6630 10.7999 10.7999 k = 0.0000 0.0000 0.0000 ( 6909 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3463 -16.3463 -7.2236 -7.2236 -7.0751 -7.0751 -5.8710 -5.8710 -5.4263 -5.4263 -5.3207 -5.3207 -5.0131 -5.0131 -4.9071 -4.9071 -4.8303 -4.8303 1.7099 1.7099 1.8081 1.8081 1.8251 1.8251 1.9096 1.9096 2.2165 2.2165 2.2841 2.2841 3.5408 3.5408 4.3600 4.3600 4.5820 4.5820 4.7554 4.7554 5.5760 5.5760 5.7124 5.7124 9.3474 9.3474 9.9220 9.9220 10.1252 10.1252 10.6606 10.6606 10.7977 10.7977 k = 0.0000 0.0000 0.0000 ( 6909 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3463 -16.3463 -7.2236 -7.2236 -7.0751 -7.0751 -5.8710 -5.8710 -5.4263 -5.4263 -5.3207 -5.3207 -5.0131 -5.0131 -4.9071 -4.9071 -4.8303 -4.8303 1.7099 1.7099 1.8081 1.8081 1.8251 1.8251 1.9096 1.9096 2.2165 2.2165 2.2841 2.2841 3.5408 3.5408 4.3600 4.3600 4.5820 4.5820 4.7554 4.7554 5.5760 5.5760 5.7124 5.7124 9.3474 9.3474 9.9220 9.9220 10.1252 10.1252 10.6606 10.6606 10.7977 10.7977 k = 0.0000 0.0000 0.0146 ( 6901 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3462 -16.3462 -7.2235 -7.2235 -7.0754 -7.0754 -5.8712 -5.8712 -5.4259 -5.4259 -5.3207 -5.3207 -5.0131 -5.0131 -4.9086 -4.9086 -4.8287 -4.8287 1.7092 1.7092 1.8081 1.8081 1.8252 1.8252 1.9096 1.9096 2.2164 2.2164 2.2840 2.2840 3.5416 3.5416 4.3603 4.3603 4.5811 4.5811 4.7557 4.7557 5.5738 5.5738 5.7122 5.7122 9.3489 9.3489 9.9270 9.9270 10.1309 10.1309 10.6608 10.6608 10.7945 10.7945 k = 0.0000 0.0000 0.0292 ( 6897 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3462 -16.3462 -7.2231 -7.2231 -7.0761 -7.0761 -5.8716 -5.8716 -5.4246 -5.4246 -5.3206 -5.3206 -5.0132 -5.0132 -4.9127 -4.9127 -4.8245 -4.8245 1.7074 1.7074 1.8081 1.8081 1.8253 1.8253 1.9097 1.9097 2.2160 2.2160 2.2837 2.2837 3.5439 3.5439 4.3610 4.3610 4.5784 4.5784 4.7566 4.7566 5.5675 5.5675 5.7115 5.7115 9.3536 9.3536 9.9420 9.9420 10.1482 10.1482 10.6611 10.6611 10.7852 10.7852 k = 0.0000 0.0000 0.0438 ( 6898 PWs) bands (ev): -20.6173 -20.6173 -20.4727 -20.4727 -16.3585 -16.3585 -16.3462 -16.3462 -7.2225 -7.2225 -7.0773 -7.0773 -5.8722 -5.8722 -5.4225 -5.4225 -5.3205 -5.3205 -5.0134 -5.0134 -4.9187 -4.9187 -4.8183 -4.8183 1.7043 1.7043 1.8080 1.8080 1.8255 1.8255 1.9099 1.9099 2.2155 2.2155 2.2832 2.2832 3.5476 3.5476 4.3623 4.3623 4.5741 4.5741 4.7582 4.7582 5.5571 5.5571 5.7104 5.7104 9.3613 9.3613 9.9670 9.9670 10.1765 10.1765 10.6614 10.6614 10.7703 10.7703 k = 0.0000 0.0000 0.0585 ( 6906 PWs) bands (ev): -20.6173 -20.6173 -20.4728 -20.4728 -16.3585 -16.3585 -16.3462 -16.3462 -7.2217 -7.2217 -7.0790 -7.0790 -5.8731 -5.8731 -5.4198 -5.4198 -5.3203 -5.3203 -5.0135 -5.0135 -4.9259 -4.9259 -4.8109 -4.8109 1.7001 1.7001 1.8080 1.8080 1.8257 1.8257 1.9101 1.9101 2.2147 2.2147 2.2826 2.2826 3.5529 3.5529 4.3640 4.3640 4.5680 4.5680 4.7603 4.7603 5.5431 5.5431 5.7089 5.7089 9.3721 9.3721 10.0017 10.0017 10.2155 10.2155 10.6605 10.6605 10.7512 10.7512 k = 0.0000 0.0000 0.0731 ( 6894 PWs) bands (ev): -20.6172 -20.6172 -20.4728 -20.4728 -16.3585 -16.3585 -16.3462 -16.3462 -7.2207 -7.2207 -7.0811 -7.0811 -5.8742 -5.8742 -5.4163 -5.4163 -5.3201 -5.3201 -5.0138 -5.0138 -4.9337 -4.9337 -4.8029 -4.8029 1.6949 1.6949 1.8079 1.8079 1.8260 1.8260 1.9104 1.9104 2.2138 2.2138 2.2818 2.2818 3.5595 3.5595 4.3660 4.3660 4.5605 4.5605 4.7629 4.7629 5.5260 5.5260 5.7070 5.7070 9.3859 9.3859 10.0460 10.0460 10.2644 10.2644 10.6559 10.6559 10.7308 10.7308 k = 0.0000 0.0000 0.0877 ( 6890 PWs) bands (ev): -20.6172 -20.6172 -20.4728 -20.4728 -16.3585 -16.3585 -16.3462 -16.3462 -7.2194 -7.2194 -7.0836 -7.0836 -5.8754 -5.8754 -5.4123 -5.4123 -5.3198 -5.3198 -5.0141 -5.0141 -4.9418 -4.9418 -4.7945 -4.7945 1.6889 1.6889 1.8079 1.8079 1.8263 1.8263 1.9107 1.9107 2.2127 2.2127 2.2809 2.2809 3.5675 3.5675 4.3683 4.3683 4.5515 4.5515 4.7660 4.7660 5.5062 5.5062 5.7047 5.7047 9.4027 9.4027 10.0995 10.0995 10.3223 10.3223 10.6422 10.6422 10.7150 10.7150 k = 0.0000 0.0000 0.1023 ( 6906 PWs) bands (ev): -20.6172 -20.6172 -20.4729 -20.4729 -16.3585 -16.3585 -16.3463 -16.3463 -7.2179 -7.2179 -7.0864 -7.0864 -5.8768 -5.8768 -5.4079 -5.4079 -5.3196 -5.3196 -5.0144 -5.0144 -4.9498 -4.9498 -4.7861 -4.7861 1.6822 1.6822 1.8078 1.8078 1.8267 1.8267 1.9111 1.9111 2.2114 2.2114 2.2798 2.2798 3.5767 3.5767 4.3706 4.3706 4.5412 4.5412 4.7695 4.7695 5.4843 5.4843 5.7022 5.7022 9.4225 9.4225 10.1619 10.1619 10.3883 10.3883 10.6156 10.6156 10.7082 10.7082 k = 0.0000 0.0000 0.1169 ( 6930 PWs) bands (ev): -20.6171 -20.6171 -20.4729 -20.4729 -16.3585 -16.3585 -16.3463 -16.3463 -7.2163 -7.2163 -7.0896 -7.0896 -5.8782 -5.8782 -5.4031 -5.4031 -5.3193 -5.3193 -5.0147 -5.0147 -4.9577 -4.9577 -4.7779 -4.7779 1.6749 1.6749 1.8077 1.8077 1.8270 1.8270 1.9115 1.9115 2.2101 2.2101 2.2787 2.2787 3.5871 3.5871 4.3727 4.3727 4.5301 4.5301 4.7733 4.7733 5.4611 5.4611 5.6995 5.6995 9.4451 9.4451 10.2326 10.2326 10.4613 10.4613 10.5789 10.5789 10.7080 10.7080 k = 0.0000 0.0000 0.1315 ( 6922 PWs) bands (ev): -20.6171 -20.6171 -20.4730 -20.4730 -16.3585 -16.3585 -16.3463 -16.3463 -7.2144 -7.2144 -7.0930 -7.0930 -5.8796 -5.8796 -5.3981 -5.3981 -5.3189 -5.3189 -5.0151 -5.0151 -4.9652 -4.9652 -4.7700 -4.7700 1.6673 1.6673 1.8077 1.8077 1.8273 1.8273 1.9119 1.9119 2.2087 2.2087 2.2775 2.2775 3.5985 3.5985 4.3745 4.3745 4.5184 4.5184 4.7773 4.7773 5.4371 5.4371 5.6966 5.6966 9.4705 9.4705 10.3112 10.3112 10.5359 10.5359 10.5401 10.5401 10.7112 10.7112 k = 0.0000 0.0000 0.1461 ( 6930 PWs) bands (ev): -20.6170 -20.6170 -20.4730 -20.4730 -16.3585 -16.3585 -16.3462 -16.3462 -7.2124 -7.2124 -7.0966 -7.0966 -5.8811 -5.8811 -5.3931 -5.3931 -5.3186 -5.3186 -5.0154 -5.0154 -4.9723 -4.9723 -4.7625 -4.7625 1.6595 1.6595 1.8076 1.8076 1.8276 1.8276 1.9124 1.9124 2.2072 2.2072 2.2763 2.2763 3.6108 3.6108 4.3753 4.3753 4.5067 4.5067 4.7815 4.7815 5.4129 5.4129 5.6935 5.6935 9.4987 9.4987 10.3969 10.3969 10.4890 10.4890 10.6234 10.6234 10.7159 10.7159 k = 0.0000 0.0000 0.1607 ( 6922 PWs) bands (ev): -20.6170 -20.6170 -20.4731 -20.4731 -16.3585 -16.3585 -16.3462 -16.3462 -7.2103 -7.2103 -7.1003 -7.1003 -5.8825 -5.8825 -5.3881 -5.3881 -5.3183 -5.3183 -5.0158 -5.0158 -4.9789 -4.9789 -4.7554 -4.7554 1.6518 1.6518 1.8075 1.8075 1.8279 1.8279 1.9128 1.9128 2.2058 2.2058 2.2751 2.2751 3.6236 3.6236 4.3749 4.3749 4.4956 4.4956 4.7857 4.7857 5.3893 5.3893 5.6905 5.6905 9.5293 9.5293 10.4393 10.4393 10.4888 10.4888 10.7098 10.7098 10.7215 10.7215 k = 0.0000 0.0000 0.1754 ( 6922 PWs) bands (ev): -20.6169 -20.6169 -20.4731 -20.4731 -16.3585 -16.3585 -16.3462 -16.3462 -7.2080 -7.2080 -7.1040 -7.1040 -5.8839 -5.8839 -5.3832 -5.3832 -5.3180 -5.3180 -5.0162 -5.0162 -4.9849 -4.9849 -4.7490 -4.7490 1.6442 1.6442 1.8074 1.8074 1.8282 1.8282 1.9133 1.9133 2.2044 2.2044 2.2739 2.2739 3.6367 3.6367 4.3727 4.3727 4.4860 4.4860 4.7898 4.7898 5.3666 5.3666 5.6875 5.6875 9.5624 9.5624 10.3878 10.3878 10.5858 10.5858 10.7274 10.7274 10.7978 10.7978 k = 0.0000 0.0000 0.1900 ( 6938 PWs) bands (ev): -20.6169 -20.6169 -20.4732 -20.4732 -16.3585 -16.3585 -16.3462 -16.3462 -7.2058 -7.2058 -7.1078 -7.1078 -5.8851 -5.8851 -5.3787 -5.3787 -5.3176 -5.3176 -5.0165 -5.0165 -4.9903 -4.9903 -4.7432 -4.7432 1.6371 1.6371 1.8073 1.8073 1.8284 1.8284 1.9137 1.9137 2.2031 2.2031 2.2728 2.2728 3.6499 3.6499 4.3683 4.3683 4.4782 4.4782 4.7937 4.7937 5.3455 5.3455 5.6846 5.6846 9.5977 9.5977 10.3351 10.3351 10.6866 10.6866 10.7335 10.7335 10.8858 10.8858 k = 0.0000 0.0000 0.2046 ( 6938 PWs) bands (ev): -20.6168 -20.6168 -20.4732 -20.4732 -16.3585 -16.3585 -16.3462 -16.3462 -7.2035 -7.2035 -7.1114 -7.1114 -5.8863 -5.8863 -5.3745 -5.3745 -5.3174 -5.3174 -5.0168 -5.0168 -4.9950 -4.9950 -4.7380 -4.7380 1.6305 1.6305 1.8073 1.8073 1.8287 1.8287 1.9141 1.9141 2.2019 2.2019 2.2718 2.2718 3.6627 3.6627 4.3620 4.3620 4.4728 4.4728 4.7973 4.7973 5.3263 5.3263 5.6820 5.6820 9.6350 9.6350 10.2820 10.2820 10.7393 10.7393 10.7893 10.7893 10.9721 10.9721 k = 0.0000 0.0000 0.2192 ( 6914 PWs) bands (ev): -20.6168 -20.6168 -20.4732 -20.4732 -16.3585 -16.3585 -16.3462 -16.3462 -7.2014 -7.2014 -7.1147 -7.1147 -5.8872 -5.8872 -5.3708 -5.3708 -5.3171 -5.3171 -5.0171 -5.0171 -4.9991 -4.9991 -4.7336 -4.7336 1.6247 1.6247 1.8072 1.8072 1.8288 1.8288 1.9144 1.9144 2.2008 2.2008 2.2708 2.2708 3.6747 3.6747 4.3541 4.3541 4.4694 4.4694 4.8006 4.8006 5.3095 5.3095 5.6795 5.6795 9.6738 9.6738 10.2293 10.2293 10.7446 10.7446 10.8916 10.8916 11.0547 11.0547 k = 0.0000 0.0000 0.2338 ( 6918 PWs) bands (ev): -20.6168 -20.6168 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1994 -7.1994 -7.1177 -7.1177 -5.8881 -5.8881 -5.3677 -5.3677 -5.3169 -5.3169 -5.0174 -5.0174 -5.0024 -5.0024 -4.7299 -4.7299 1.6197 1.6197 1.8072 1.8072 1.8290 1.8290 1.9147 1.9147 2.1999 2.1999 2.2700 2.2700 3.6855 3.6855 4.3458 4.3458 4.4676 4.4676 4.8034 4.8034 5.2953 5.2953 5.6775 5.6775 9.7134 9.7134 10.1779 10.1779 10.7493 10.7493 10.9901 10.9901 11.1311 11.1311 k = 0.0000 0.0000 0.2484 ( 6922 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1977 -7.1977 -7.1202 -7.1202 -5.8887 -5.8887 -5.3652 -5.3652 -5.3167 -5.3167 -5.0176 -5.0176 -5.0051 -5.0051 -4.7270 -4.7270 1.6157 1.6157 1.8071 1.8071 1.8291 1.8291 1.9150 1.9150 2.1991 2.1991 2.2694 2.2694 3.6946 3.6946 4.3381 4.3381 4.4669 4.4669 4.8057 4.8057 5.2840 5.2840 5.6758 5.6758 9.7527 9.7527 10.1293 10.1293 10.7532 10.7532 11.0800 11.0800 11.1981 11.1981 k = 0.0000 0.0000 0.2630 ( 6922 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1964 -7.1964 -7.1222 -7.1222 -5.8892 -5.8892 -5.3634 -5.3634 -5.3166 -5.3166 -5.0177 -5.0177 -5.0069 -5.0069 -4.7250 -4.7250 1.6128 1.6128 1.8071 1.8071 1.8292 1.8292 1.9152 1.9152 2.1986 2.1986 2.2689 2.2689 3.7014 3.7014 4.3318 4.3318 4.4667 4.4667 4.8073 4.8073 5.2757 5.2757 5.6746 5.6746 9.7893 9.7893 10.0859 10.0859 10.7561 10.7561 11.1547 11.1547 11.2517 11.2517 k = 0.0000 0.0000 0.2777 ( 6910 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1955 -7.1955 -7.1234 -7.1234 -5.8895 -5.8895 -5.3623 -5.3623 -5.3165 -5.3165 -5.0178 -5.0178 -5.0081 -5.0081 -4.7237 -4.7237 1.6110 1.6110 1.8071 1.8071 1.8293 1.8293 1.9153 1.9153 2.1982 2.1982 2.2686 2.2686 3.7057 3.7057 4.3277 4.3277 4.4667 4.4667 4.8083 4.8083 5.2707 5.2707 5.6738 5.6738 9.8179 9.8179 10.0532 10.0532 10.7579 10.7579 11.2057 11.2057 11.2868 11.2868 k = 0.0000 0.0000 0.2923 ( 6906 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1952 -7.1952 -7.1238 -7.1238 -5.8896 -5.8896 -5.3619 -5.3619 -5.3165 -5.3165 -5.0178 -5.0178 -5.0084 -5.0084 -4.7233 -4.7233 1.6104 1.6104 1.8071 1.8071 1.8293 1.8293 1.9153 1.9153 2.1981 2.1981 2.2685 2.2685 3.7072 3.7072 4.3263 4.3263 4.4667 4.4667 4.8087 4.8087 5.2691 5.2691 5.6736 5.6736 9.8295 9.8295 10.0402 10.0402 10.7585 10.7585 11.2241 11.2241 11.2991 11.2991 k = 0.0000 0.0000 0.2923 ( 6906 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1952 -7.1952 -7.1238 -7.1238 -5.8896 -5.8896 -5.3619 -5.3619 -5.3165 -5.3165 -5.0178 -5.0178 -5.0084 -5.0084 -4.7233 -4.7233 1.6104 1.6104 1.8071 1.8071 1.8293 1.8293 1.9153 1.9153 2.1981 2.1981 2.2685 2.2685 3.7072 3.7072 4.3263 4.3263 4.4667 4.4667 4.8087 4.8087 5.2691 5.2691 5.6736 5.6736 9.8295 9.8295 10.0402 10.0402 10.7585 10.7585 11.2241 11.2241 11.2991 11.2991 k = 0.0000 0.0147 0.2923 ( 6906 PWs) bands (ev): -20.6166 -20.6166 -20.4733 -20.4733 -16.3586 -16.3586 -16.3464 -16.3464 -7.1960 -7.1960 -7.1231 -7.1231 -5.8901 -5.8901 -5.3621 -5.3621 -5.3156 -5.3156 -5.0247 -5.0247 -5.0012 -5.0012 -4.7233 -4.7233 1.6112 1.6112 1.8071 1.8071 1.8294 1.8294 1.9153 1.9153 2.1982 2.1982 2.2685 2.2685 3.7063 3.7063 4.3179 4.3179 4.4727 4.4727 4.8082 4.8082 5.2699 5.2699 5.6719 5.6719 9.8328 9.8328 10.0436 10.0436 10.7586 10.7586 11.2241 11.2241 11.2994 11.2994 k = 0.0000 0.0294 0.2923 ( 6910 PWs) bands (ev): -20.6162 -20.6162 -20.4734 -20.4734 -16.3590 -16.3590 -16.3468 -16.3468 -7.1981 -7.1981 -7.1213 -7.1213 -5.8915 -5.8915 -5.3629 -5.3629 -5.3127 -5.3127 -5.0346 -5.0346 -4.9905 -4.9905 -4.7235 -4.7235 1.6133 1.6133 1.8071 1.8071 1.8297 1.8297 1.9153 1.9153 2.1983 2.1983 2.2686 2.2686 3.7037 3.7037 4.2962 4.2962 4.4873 4.4873 4.8067 4.8067 5.2722 5.2722 5.6670 5.6670 9.8427 9.8427 10.0538 10.0538 10.7589 10.7589 11.2243 11.2243 11.3001 11.3001 k = 0.0000 0.0441 0.2923 ( 6914 PWs) bands (ev): -20.6155 -20.6155 -20.4734 -20.4734 -16.3597 -16.3597 -16.3474 -16.3474 -7.2014 -7.2014 -7.1186 -7.1186 -5.8939 -5.8939 -5.3643 -5.3643 -5.3079 -5.3079 -5.0444 -5.0444 -4.9793 -4.9793 -4.7237 -4.7237 1.6170 1.6170 1.8073 1.8073 1.8302 1.8302 1.9154 1.9154 2.1984 2.1984 2.2687 2.2687 3.6993 3.6993 4.2664 4.2664 4.5053 4.5053 4.8041 4.8041 5.2760 5.2760 5.6589 5.6589 9.8591 9.8591 10.0705 10.0705 10.7593 10.7593 11.2244 11.2244 11.3010 11.3010 k = 0.0000 0.0588 0.2923 ( 6918 PWs) bands (ev): -20.6145 -20.6145 -20.4735 -20.4735 -16.3606 -16.3606 -16.3484 -16.3484 -7.2054 -7.2054 -7.1152 -7.1152 -5.8970 -5.8970 -5.3667 -5.3667 -5.3011 -5.3011 -5.0538 -5.0538 -4.9678 -4.9678 -4.7239 -4.7239 1.6220 1.6220 1.8075 1.8075 1.8309 1.8309 1.9155 1.9155 2.1983 2.1983 2.2691 2.2691 3.6931 3.6931 4.2321 4.2321 4.5238 4.5238 4.8005 4.8005 5.2812 5.2812 5.6479 5.6479 9.8818 9.8818 10.0936 10.0936 10.7601 10.7601 11.2242 11.2242 11.3018 11.3018 k = 0.0000 0.0735 0.2923 ( 6930 PWs) bands (ev): -20.6132 -20.6132 -20.4735 -20.4735 -16.3617 -16.3617 -16.3495 -16.3495 -7.2101 -7.2101 -7.1115 -7.1115 -5.9007 -5.9007 -5.3700 -5.3700 -5.2924 -5.2924 -5.0629 -5.0629 -4.9563 -4.9563 -4.7240 -4.7240 1.6284 1.6284 1.8078 1.8078 1.8318 1.8318 1.9156 1.9156 2.1978 2.1978 2.2697 2.2697 3.6852 3.6852 4.1950 4.1950 4.5411 4.5411 4.7960 4.7960 5.2875 5.2875 5.6341 5.6341 9.9104 9.9104 10.1227 10.1227 10.7613 10.7613 11.2232 11.2232 11.3021 11.3021 k = 0.0000 0.0882 0.2923 ( 6938 PWs) bands (ev): -20.6117 -20.6117 -20.4737 -20.4737 -16.3631 -16.3631 -16.3510 -16.3510 -7.2150 -7.2150 -7.1077 -7.1077 -5.9049 -5.9049 -5.3743 -5.3743 -5.2819 -5.2819 -5.0715 -5.0715 -4.9448 -4.9448 -4.7240 -4.7240 1.6361 1.6361 1.8083 1.8083 1.8329 1.8329 1.9158 1.9158 2.1966 2.1966 2.2706 2.2706 3.6755 3.6755 4.1563 4.1563 4.5567 4.5567 4.7904 4.7904 5.2947 5.2947 5.6178 5.6178 9.9445 9.9445 10.1572 10.1572 10.7630 10.7630 11.2209 11.2209 11.3014 11.3014 k = 0.0000 0.1029 0.2923 ( 6934 PWs) bands (ev): -20.6100 -20.6100 -20.4738 -20.4738 -16.3647 -16.3647 -16.3526 -16.3526 -7.2201 -7.2201 -7.1039 -7.1039 -5.9094 -5.9094 -5.3797 -5.3797 -5.2701 -5.2701 -5.0795 -5.0795 -4.9334 -4.9334 -4.7236 -4.7236 1.6451 1.6451 1.8090 1.8090 1.8343 1.8343 1.9160 1.9160 2.1947 2.1947 2.2719 2.2719 3.6642 3.6642 4.1169 4.1169 4.5704 4.5704 4.7840 4.7840 5.3026 5.3026 5.5995 5.5995 9.9836 9.9836 10.1968 10.1968 10.7653 10.7653 11.2169 11.2169 11.2991 11.2991 k = 0.0000 0.1176 0.2923 ( 6934 PWs) bands (ev): -20.6080 -20.6080 -20.4740 -20.4740 -16.3665 -16.3665 -16.3545 -16.3545 -7.2251 -7.2251 -7.1003 -7.1003 -5.9141 -5.9141 -5.3860 -5.3860 -5.2574 -5.2574 -5.0868 -5.0868 -4.9224 -4.9224 -4.7228 -4.7228 1.6553 1.6553 1.8099 1.8099 1.8359 1.8359 1.9163 1.9163 2.1918 2.1918 2.2734 2.2734 3.6511 3.6511 4.0772 4.0772 4.5820 4.5820 4.7769 4.7769 5.3107 5.3107 5.5794 5.5794 10.0273 10.0273 10.2404 10.2404 10.7684 10.7684 11.2103 11.2103 11.2945 11.2945 k = 0.0000 0.1324 0.2923 ( 6932 PWs) bands (ev): -20.6057 -20.6057 -20.4742 -20.4742 -16.3685 -16.3685 -16.3565 -16.3565 -7.2299 -7.2299 -7.0971 -7.0971 -5.9187 -5.9187 -5.3932 -5.3932 -5.2441 -5.2441 -5.0931 -5.0931 -4.9118 -4.9118 -4.7214 -4.7214 1.6665 1.6665 1.8112 1.8112 1.8377 1.8377 1.9166 1.9166 2.1879 2.1879 2.2749 2.2749 3.6366 3.6366 4.0379 4.0379 4.5916 4.5916 4.7693 4.7693 5.3187 5.3187 5.5581 5.5581 10.0748 10.0748 10.2874 10.2874 10.7724 10.7724 11.2009 11.2009 11.2868 11.2868 k = 0.0000 0.1471 0.2923 ( 6940 PWs) bands (ev): -20.6032 -20.6032 -20.4744 -20.4744 -16.3706 -16.3706 -16.3588 -16.3588 -7.2345 -7.2345 -7.0943 -7.0943 -5.9231 -5.9231 -5.4014 -5.4014 -5.2309 -5.2309 -5.0982 -5.0982 -4.9017 -4.9017 -4.7191 -4.7191 1.6788 1.6788 1.8128 1.8128 1.8397 1.8397 1.9170 1.9170 2.1832 2.1832 2.2764 2.2764 3.6206 3.6206 3.9993 3.9993 4.5993 4.5993 4.7614 4.7614 5.3261 5.3261 5.5359 5.5359 10.1256 10.1256 10.3365 10.3365 10.7775 10.7775 11.1883 11.1883 11.2757 11.2757 k = 0.0000 0.1618 0.2923 ( 6952 PWs) bands (ev): -20.6005 -20.6005 -20.4748 -20.4748 -16.3729 -16.3729 -16.3613 -16.3613 -7.2388 -7.2388 -7.0920 -7.0920 -5.9271 -5.9271 -5.4104 -5.4104 -5.2183 -5.2183 -5.1016 -5.1016 -4.8923 -4.8923 -4.7160 -4.7160 1.6920 1.6920 1.8148 1.8148 1.8420 1.8420 1.9174 1.9174 2.1776 2.1776 2.2774 2.2774 3.6034 3.6034 3.9617 3.9617 4.6050 4.6050 4.7535 4.7535 5.3323 5.3323 5.5136 5.5136 10.1788 10.1788 10.3863 10.3863 10.7838 10.7838 11.1728 11.1728 11.2611 11.2611 k = 0.0000 0.1765 0.2923 ( 6940 PWs) bands (ev): -20.5976 -20.5976 -20.4751 -20.4751 -16.3754 -16.3754 -16.3638 -16.3638 -7.2427 -7.2427 -7.0903 -7.0903 -5.9307 -5.9307 -5.4204 -5.4204 -5.2072 -5.2072 -5.1029 -5.1029 -4.8836 -4.8836 -4.7118 -4.7118 1.7060 1.7060 1.8172 1.8172 1.8444 1.8444 1.9180 1.9180 2.1712 2.1712 2.2777 2.2777 3.5854 3.5854 3.9255 3.9255 4.6090 4.6090 4.7459 4.7459 5.3368 5.3368 5.4916 5.4916 10.2335 10.2335 10.4351 10.4351 10.7915 10.7915 11.1548 11.1548 11.2441 11.2441 k = 0.0000 0.1912 0.2923 ( 6948 PWs) bands (ev): -20.5946 -20.5946 -20.4756 -20.4756 -16.3779 -16.3779 -16.3666 -16.3666 -7.2461 -7.2461 -7.0891 -7.0891 -5.9337 -5.9337 -5.4313 -5.4313 -5.1983 -5.1983 -5.1018 -5.1018 -4.8754 -4.8754 -4.7066 -4.7066 1.7207 1.7207 1.8200 1.8200 1.8470 1.8470 1.9186 1.9186 2.1642 2.1642 2.2771 2.2771 3.5667 3.5667 3.8908 3.8908 4.6112 4.6112 4.7389 4.7389 5.3386 5.3386 5.4711 5.4711 10.2888 10.2888 10.4809 10.4809 10.8007 10.8007 11.1358 11.1358 11.2260 11.2260 k = 0.0000 0.2059 0.2923 ( 6942 PWs) bands (ev): -20.5913 -20.5913 -20.4761 -20.4761 -16.3805 -16.3805 -16.3694 -16.3694 -7.2489 -7.2489 -7.0885 -7.0885 -5.9360 -5.9360 -5.4431 -5.4431 -5.1919 -5.1919 -5.0980 -5.0980 -4.8675 -4.8675 -4.7003 -4.7003 1.7359 1.7359 1.8232 1.8232 1.8498 1.8498 1.9194 1.9194 2.1566 2.1566 2.2753 2.2753 3.5479 3.5479 3.8577 3.8577 4.6118 4.6118 4.7326 4.7326 5.3368 5.3368 5.4529 5.4529 10.3433 10.3433 10.5213 10.5213 10.8115 10.8115 11.1177 11.1177 11.2085 11.2085 k = 0.0000 0.2206 0.2923 ( 6932 PWs) bands (ev): -20.5878 -20.5878 -20.4767 -20.4767 -16.3832 -16.3832 -16.3723 -16.3723 -7.2513 -7.2513 -7.0886 -7.0886 -5.9376 -5.9376 -5.4559 -5.4559 -5.1879 -5.1879 -5.0922 -5.0922 -4.8598 -4.8598 -4.6932 -4.6932 1.7515 1.7515 1.8268 1.8268 1.8528 1.8528 1.9202 1.9202 2.1485 2.1485 2.2722 2.2722 3.5294 3.5294 3.8263 3.8263 4.6109 4.6109 4.7272 4.7272 5.3305 5.3305 5.4379 5.4379 10.3957 10.3957 10.5540 10.5540 10.8240 10.8240 11.1025 11.1025 11.1930 11.1930 k = 0.0000 0.2353 0.2923 ( 6936 PWs) bands (ev): -20.5843 -20.5843 -20.4775 -20.4775 -16.3859 -16.3859 -16.3753 -16.3753 -7.2530 -7.2530 -7.0893 -7.0893 -5.9382 -5.9382 -5.4694 -5.4694 -5.1857 -5.1857 -5.0852 -5.0852 -4.8518 -4.8518 -4.6854 -4.6854 1.7674 1.7674 1.8307 1.8307 1.8559 1.8559 1.9213 1.9213 2.1400 2.1400 2.2676 2.2676 3.5115 3.5115 3.7964 3.7964 4.6089 4.6089 4.7227 4.7227 5.3197 5.3197 5.4265 5.4265 10.4442 10.4442 10.5771 10.5771 10.8383 10.8383 11.0918 11.0918 11.1812 11.1812 k = 0.0000 0.2500 0.2923 ( 6940 PWs) bands (ev): -20.5806 -20.5806 -20.4783 -20.4783 -16.3886 -16.3886 -16.3783 -16.3783 -7.2542 -7.2542 -7.0907 -7.0907 -5.9380 -5.9380 -5.4838 -5.4838 -5.1847 -5.1847 -5.0781 -5.0781 -4.8432 -4.8432 -4.6770 -4.6770 1.7834 1.7834 1.8349 1.8349 1.8592 1.8592 1.9224 1.9224 2.1311 2.1311 2.2613 2.2613 3.4947 3.4947 3.7681 3.7681 4.6059 4.6059 4.7189 4.7189 5.3053 5.3053 5.4179 5.4179 10.4871 10.4871 10.5896 10.5896 10.8545 10.8545 11.0864 11.0864 11.1742 11.1742 k = 0.0000 0.2647 0.2923 ( 6940 PWs) bands (ev): -20.5767 -20.5767 -20.4792 -20.4792 -16.3913 -16.3913 -16.3814 -16.3814 -7.2547 -7.2547 -7.0928 -7.0928 -5.9368 -5.9368 -5.4990 -5.4990 -5.1841 -5.1841 -5.0717 -5.0717 -4.8337 -4.8337 -4.6684 -4.6684 1.7993 1.7993 1.8394 1.8394 1.8626 1.8626 1.9238 1.9238 2.1220 2.1220 2.2535 2.2535 3.4793 3.4793 3.7414 3.7414 4.6025 4.6025 4.7157 4.7157 5.2887 5.2887 5.4108 5.4108 10.5224 10.5224 10.5920 10.5920 10.8727 10.8727 11.0858 11.0858 11.1735 11.1735 k = 0.0000 0.2794 0.2923 ( 6934 PWs) bands (ev): -20.5728 -20.5728 -20.4802 -20.4802 -16.3940 -16.3940 -16.3844 -16.3844 -7.2547 -7.2547 -7.0955 -7.0955 -5.9347 -5.9347 -5.5150 -5.5150 -5.1837 -5.1837 -5.0666 -5.0666 -4.8230 -4.8230 -4.6598 -4.6598 1.8150 1.8150 1.8441 1.8441 1.8661 1.8661 1.9255 1.9255 2.1127 2.1127 2.2440 2.2440 3.4656 3.4656 3.7161 3.7161 4.5988 4.5988 4.7129 4.7129 5.2711 5.2711 5.4040 5.4040 10.5487 10.5487 10.5862 10.5862 10.8932 10.8932 11.0886 11.0886 11.1799 11.1799 k = 0.0000 0.2941 0.2923 ( 6930 PWs) bands (ev): -20.5688 -20.5688 -20.4814 -20.4814 -16.3966 -16.3966 -16.3875 -16.3875 -7.2539 -7.2539 -7.0988 -7.0988 -5.9315 -5.9315 -5.5315 -5.5315 -5.1831 -5.1831 -5.0631 -5.0631 -4.8111 -4.8111 -4.6513 -4.6513 1.8304 1.8304 1.8489 1.8489 1.8697 1.8697 1.9274 1.9274 2.1033 2.1033 2.2330 2.2330 3.4539 3.4539 3.6923 3.6923 4.5953 4.5953 4.7103 4.7103 5.2538 5.2538 5.3969 5.3969 10.5653 10.5653 10.5743 10.5743 10.9159 10.9159 11.0933 11.0933 11.1938 11.1938 k = 0.0000 0.3088 0.2923 ( 6938 PWs) bands (ev): -20.5647 -20.5647 -20.4827 -20.4827 -16.3991 -16.3991 -16.3904 -16.3904 -7.2526 -7.2526 -7.1026 -7.1026 -5.9273 -5.9273 -5.5487 -5.5487 -5.1821 -5.1821 -5.0614 -5.0614 -4.7982 -4.7982 -4.6432 -4.6432 1.8451 1.8451 1.8539 1.8539 1.8734 1.8734 1.9298 1.9298 2.0939 2.0939 2.2206 2.2206 3.4442 3.4442 3.6697 3.6697 4.5922 4.5922 4.7075 4.7075 5.2373 5.2373 5.3889 5.3889 10.5586 10.5586 10.5726 10.5726 10.9410 10.9410 11.0987 11.0987 11.2144 11.2144 k = 0.0000 0.3235 0.2923 ( 6938 PWs) bands (ev): -20.5606 -20.5606 -20.4842 -20.4842 -16.4015 -16.4015 -16.3933 -16.3933 -7.2506 -7.2506 -7.1071 -7.1071 -5.9220 -5.9220 -5.5663 -5.5663 -5.1807 -5.1807 -5.0614 -5.0614 -4.7842 -4.7842 -4.6357 -4.6357 1.8576 1.8576 1.8603 1.8603 1.8774 1.8774 1.9326 1.9326 2.0844 2.0844 2.2071 2.2071 3.4366 3.4366 3.6485 3.6485 4.5896 4.5896 4.7044 4.7044 5.2222 5.2222 5.3798 5.3798 10.5407 10.5407 10.5719 10.5719 10.9685 10.9685 11.1044 11.1044 11.2397 11.2397 k = 0.0000 0.3382 0.2923 ( 6934 PWs) bands (ev): -20.5565 -20.5565 -20.4858 -20.4858 -16.4038 -16.4038 -16.3961 -16.3961 -7.2480 -7.2480 -7.1121 -7.1121 -5.9157 -5.9157 -5.5844 -5.5844 -5.1787 -5.1787 -5.0628 -5.0628 -4.7696 -4.7696 -4.6289 -4.6289 1.8630 1.8630 1.8720 1.8720 1.8821 1.8821 1.9359 1.9359 2.0750 2.0750 2.1926 2.1926 3.4311 3.4311 3.6286 3.6286 4.5878 4.5878 4.7010 4.7010 5.2090 5.2090 5.3695 5.3695 10.5221 10.5221 10.5649 10.5649 10.9983 10.9983 11.1103 11.1103 11.2670 11.2670 k = 0.0000 0.3529 0.2923 ( 6938 PWs) bands (ev): -20.5523 -20.5523 -20.4875 -20.4875 -16.4059 -16.4059 -16.3988 -16.3988 -7.2448 -7.2448 -7.1175 -7.1175 -5.9083 -5.9083 -5.6027 -5.6027 -5.1763 -5.1763 -5.0657 -5.0657 -4.7545 -4.7545 -4.6229 -4.6229 1.8676 1.8676 1.8804 1.8804 1.8898 1.8898 1.9399 1.9399 2.0658 2.0658 2.1774 2.1774 3.4276 3.4276 3.6098 3.6098 4.5868 4.5868 4.6969 4.6969 5.1979 5.1979 5.3581 5.3581 10.5038 10.5038 10.5535 10.5535 11.0304 11.0304 11.1170 11.1170 11.2936 11.2936 k = 0.0000 0.3676 0.2923 ( 6944 PWs) bands (ev): -20.5482 -20.5482 -20.4894 -20.4894 -16.4078 -16.4078 -16.4013 -16.4013 -7.2411 -7.2411 -7.1235 -7.1235 -5.9000 -5.9000 -5.6213 -5.6213 -5.1733 -5.1733 -5.0695 -5.0695 -4.7392 -4.7392 -4.6180 -4.6180 1.8720 1.8720 1.8850 1.8850 1.9002 1.9002 1.9445 1.9445 2.0568 2.0568 2.1617 2.1617 3.4261 3.4261 3.5922 3.5922 4.5867 4.5867 4.6922 4.6922 5.1891 5.1891 5.3455 5.3455 10.4864 10.4864 10.5392 10.5392 11.0646 11.0646 11.1247 11.1247 11.3171 11.3171 k = 0.0000 0.3824 0.2923 ( 6956 PWs) bands (ev): -20.5441 -20.5441 -20.4915 -20.4915 -16.4095 -16.4095 -16.4037 -16.4037 -7.2368 -7.2368 -7.1297 -7.1297 -5.8906 -5.8906 -5.6400 -5.6400 -5.1698 -5.1698 -5.0743 -5.0743 -4.7241 -4.7241 -4.6141 -4.6141 1.8762 1.8762 1.8885 1.8885 1.9104 1.9104 1.9499 1.9499 2.0481 2.0481 2.1459 2.1459 3.4263 3.4263 3.5756 3.5756 4.5876 4.5876 4.6869 4.6869 5.1828 5.1828 5.3321 5.3321 10.4705 10.4705 10.5233 10.5233 11.1009 11.1009 11.1339 11.1339 11.3356 11.3356 k = 0.0000 0.3971 0.2923 ( 6956 PWs) bands (ev): -20.5400 -20.5400 -20.4937 -20.4937 -16.4111 -16.4111 -16.4059 -16.4059 -7.2320 -7.2320 -7.1364 -7.1364 -5.8802 -5.8802 -5.6588 -5.6588 -5.1657 -5.1657 -5.0798 -5.0798 -4.7093 -4.7093 -4.6114 -4.6114 1.8801 1.8801 1.8914 1.8914 1.9199 1.9199 1.9560 1.9560 2.0398 2.0398 2.1301 2.1301 3.4281 3.4281 3.5601 3.5601 4.5895 4.5895 4.6808 4.6808 5.1790 5.1790 5.3179 5.3179 10.4564 10.4564 10.5068 10.5068 11.1385 11.1385 11.1452 11.1452 11.3481 11.3481 k = 0.0000 0.4118 0.2923 ( 6968 PWs) bands (ev): -20.5359 -20.5359 -20.4960 -20.4960 -16.4124 -16.4124 -16.4078 -16.4078 -7.2267 -7.2267 -7.1433 -7.1433 -5.8689 -5.8689 -5.6774 -5.6774 -5.1612 -5.1612 -5.0858 -5.0858 -4.6951 -4.6951 -4.6099 -4.6099 1.8837 1.8837 1.8939 1.8939 1.9284 1.9284 1.9625 1.9625 2.0322 2.0322 2.1146 2.1146 3.4314 3.4314 3.5455 3.5455 4.5924 4.5924 4.6741 4.6741 5.1778 5.1778 5.3032 5.3032 10.4444 10.4444 10.4905 10.4905 11.1569 11.1569 11.1785 11.1785 11.3548 11.3548 k = 0.0000 0.4265 0.2923 ( 6968 PWs) bands (ev): -20.5320 -20.5320 -20.4986 -20.4986 -16.4134 -16.4134 -16.4096 -16.4096 -7.2209 -7.2209 -7.1504 -7.1504 -5.8567 -5.8567 -5.6960 -5.6960 -5.1563 -5.1563 -5.0922 -5.0922 -4.6816 -4.6816 -4.6098 -4.6098 1.8871 1.8871 1.8960 1.8960 1.9362 1.9362 1.9688 1.9688 2.0257 2.0257 2.0995 2.0995 3.4360 3.4360 3.5317 3.5317 4.5962 4.5962 4.6669 4.6669 5.1790 5.1790 5.2881 5.2881 10.4348 10.4348 10.4751 10.4751 11.1711 11.1711 11.2176 11.2176 11.3572 11.3572 k = 0.0000 0.4412 0.2923 ( 6966 PWs) bands (ev): -20.5281 -20.5281 -20.5013 -20.5013 -16.4142 -16.4142 -16.4111 -16.4111 -7.2148 -7.2148 -7.1577 -7.1577 -5.8437 -5.8437 -5.7143 -5.7143 -5.1509 -5.1509 -5.0989 -5.0989 -4.6689 -4.6689 -4.6110 -4.6110 1.8901 1.8901 1.8976 1.8976 1.9434 1.9434 1.9742 1.9742 2.0210 2.0210 2.0851 2.0851 3.4418 3.4418 3.5188 3.5188 4.6010 4.6010 4.6592 4.6592 5.1827 5.1827 5.2730 5.2730 10.4276 10.4276 10.4610 10.4610 11.1869 11.1869 11.2534 11.2534 11.3592 11.3592 k = 0.0000 0.4559 0.2923 ( 6958 PWs) bands (ev): -20.5243 -20.5243 -20.5041 -20.5041 -16.4148 -16.4148 -16.4124 -16.4124 -7.2083 -7.2083 -7.1651 -7.1651 -5.8298 -5.8298 -5.7323 -5.7323 -5.1451 -5.1451 -5.1057 -5.1057 -4.6573 -4.6573 -4.6135 -4.6135 1.8928 1.8928 1.8986 1.8986 1.9502 1.9502 1.9773 1.9773 2.0194 2.0194 2.0715 2.0715 3.4487 3.4487 3.5066 3.5066 4.6065 4.6065 4.6512 4.6512 5.1886 5.1886 5.2581 5.2581 10.4230 10.4230 10.4487 10.4487 11.2040 11.2040 11.2773 11.2773 11.3700 11.3700 k = 0.0000 0.4706 0.2923 ( 6960 PWs) bands (ev): -20.5206 -20.5206 -20.5071 -20.5071 -16.4150 -16.4150 -16.4135 -16.4135 -7.2016 -7.2016 -7.1725 -7.1725 -5.8151 -5.8151 -5.7499 -5.7499 -5.1391 -5.1391 -5.1126 -5.1126 -4.6468 -4.6468 -4.6175 -4.6175 1.8950 1.8950 1.8990 1.8990 1.9567 1.9567 1.9770 1.9770 2.0219 2.0219 2.0588 2.0588 3.4564 3.4564 3.4952 3.4952 4.6128 4.6128 4.6431 4.6431 5.1965 5.1965 5.2438 5.2438 10.4209 10.4209 10.4384 10.4384 11.2218 11.2218 11.2815 11.2815 11.3980 11.3980 k = 0.0000 0.4853 0.2923 ( 6952 PWs) bands (ev): -20.5171 -20.5171 -20.5103 -20.5103 -16.4151 -16.4151 -16.4143 -16.4143 -7.1945 -7.1945 -7.1800 -7.1800 -5.7997 -5.7997 -5.7671 -5.7671 -5.1327 -5.1327 -5.1194 -5.1194 -4.6375 -4.6375 -4.6228 -4.6228 1.8969 1.8969 1.8989 1.8989 1.9630 1.9630 1.9737 1.9737 2.0281 2.0281 2.0472 2.0472 3.4650 3.4650 3.4844 3.4844 4.6198 4.6198 4.6351 4.6351 5.2062 5.2062 5.2301 5.2301 10.4215 10.4215 10.4303 10.4303 11.2400 11.2400 11.2724 11.2724 11.4373 11.4373 k = 0.0000 0.5000 0.2923 ( 6948 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1873 -7.1873 -7.1873 -7.1873 -5.7837 -5.7837 -5.7837 -5.7837 -5.1261 -5.1261 -5.1261 -5.1261 -4.6295 -4.6295 -4.6295 -4.6295 1.8981 1.8981 1.8981 1.8981 1.9688 1.9688 1.9688 1.9688 2.0368 2.0368 2.0368 2.0368 3.4743 3.4743 3.4743 3.4743 4.6273 4.6273 4.6273 4.6273 5.2175 5.2175 5.2175 5.2175 10.4246 10.4246 10.4246 10.4246 11.2573 11.2573 11.2573 11.2573 11.4799 11.4799 k = 0.0000 0.5000 0.2923 ( 6948 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1873 -7.1873 -7.1873 -7.1873 -5.7837 -5.7837 -5.7837 -5.7837 -5.1261 -5.1261 -5.1261 -5.1261 -4.6295 -4.6295 -4.6295 -4.6295 1.8981 1.8981 1.8981 1.8981 1.9688 1.9688 1.9688 1.9688 2.0368 2.0368 2.0368 2.0368 3.4743 3.4743 3.4743 3.4743 4.6273 4.6273 4.6273 4.6273 5.2175 5.2175 5.2175 5.2175 10.4246 10.4246 10.4246 10.4246 11.2573 11.2573 11.2573 11.2573 11.4799 11.4799 k = 0.0147 0.5000 0.2923 ( 6948 PWs) bands (ev): -20.5135 -20.5135 -20.5135 -20.5135 -16.4150 -16.4150 -16.4148 -16.4148 -7.1912 -7.1912 -7.1832 -7.1832 -5.7835 -5.7835 -5.7831 -5.7831 -5.1329 -5.1329 -5.1195 -5.1195 -4.6307 -4.6307 -4.6294 -4.6294 1.8951 1.8951 1.9003 1.9003 1.9549 1.9549 1.9754 1.9754 2.0284 2.0284 2.0540 2.0540 3.4721 3.4721 3.4779 3.4779 4.6123 4.6123 4.6408 4.6408 5.2101 5.2101 5.2225 5.2225 10.4252 10.4252 10.4289 10.4289 11.2470 11.2470 11.2665 11.2665 11.4676 11.4676 k = 0.0294 0.5000 0.2923 ( 6940 PWs) bands (ev): -20.5133 -20.5133 -20.5133 -20.5133 -16.4155 -16.4155 -16.4151 -16.4151 -7.1950 -7.1950 -7.1790 -7.1790 -5.7825 -5.7825 -5.7818 -5.7818 -5.1396 -5.1396 -5.1131 -5.1131 -4.6330 -4.6330 -4.6304 -4.6304 1.8900 1.8900 1.9016 1.9016 1.9409 1.9409 1.9680 1.9680 2.0352 2.0352 2.0738 2.0738 3.4711 3.4711 3.4827 3.4827 4.5957 4.5957 4.6529 4.6529 5.2001 5.2001 5.2250 5.2250 10.4305 10.4305 10.4379 10.4379 11.2367 11.2367 11.2734 11.2734 11.4616 11.4616 k = 0.0441 0.5000 0.2923 ( 6944 PWs) bands (ev): -20.5130 -20.5130 -20.5130 -20.5130 -16.4163 -16.4163 -16.4157 -16.4157 -7.1985 -7.1985 -7.1746 -7.1746 -5.7807 -5.7807 -5.7797 -5.7797 -5.1463 -5.1463 -5.1070 -5.1070 -4.6365 -4.6365 -4.6326 -4.6326 1.8811 1.8811 1.9015 1.9015 1.9303 1.9303 1.9538 1.9538 2.0507 2.0507 2.0944 2.0944 3.4712 3.4712 3.4888 3.4888 4.5777 4.5777 4.6637 4.6637 5.1875 5.1875 5.2253 5.2253 10.4404 10.4404 10.4515 10.4515 11.2272 11.2272 11.2772 11.2772 11.4628 11.4628 k = 0.0588 0.5000 0.2923 ( 6952 PWs) bands (ev): -20.5125 -20.5125 -20.5125 -20.5125 -16.4173 -16.4173 -16.4165 -16.4165 -7.2017 -7.2017 -7.1702 -7.1702 -5.7780 -5.7780 -5.7770 -5.7770 -5.1527 -5.1527 -5.1013 -5.1013 -4.6409 -4.6409 -4.6359 -4.6359 1.8680 1.8680 1.8977 1.8977 1.9247 1.9247 1.9412 1.9412 2.0689 2.0689 2.1149 2.1149 3.4723 3.4723 3.4962 3.4962 4.5582 4.5582 4.6734 4.6734 5.1724 5.1724 5.2234 5.2234 10.4548 10.4548 10.4693 10.4693 11.2192 11.2192 11.2781 11.2781 11.4712 11.4712 k = 0.0735 0.5000 0.2923 ( 6956 PWs) bands (ev): -20.5119 -20.5119 -20.5119 -20.5119 -16.4185 -16.4185 -16.4176 -16.4176 -7.2047 -7.2047 -7.1657 -7.1657 -5.7744 -5.7744 -5.7736 -5.7736 -5.1590 -5.1590 -5.0960 -5.0960 -4.6464 -4.6464 -4.6404 -4.6404 1.8519 1.8519 1.8874 1.8874 1.9230 1.9230 1.9351 1.9351 2.0878 2.0878 2.1350 2.1350 3.4741 3.4741 3.5047 3.5047 4.5373 4.5373 4.6822 4.6822 5.1548 5.1548 5.2196 5.2196 10.4732 10.4732 10.4911 10.4911 11.2134 11.2134 11.2771 11.2771 11.4857 11.4857 k = 0.0882 0.5000 0.2923 ( 6956 PWs) bands (ev): -20.5112 -20.5112 -20.5112 -20.5112 -16.4200 -16.4200 -16.4189 -16.4189 -7.2073 -7.2073 -7.1612 -7.1612 -5.7700 -5.7700 -5.7696 -5.7696 -5.1649 -5.1649 -5.0913 -5.0913 -4.6529 -4.6529 -4.6461 -4.6461 1.8346 1.8346 1.8717 1.8717 1.9238 1.9238 1.9350 1.9350 2.1066 2.1066 2.1544 2.1544 3.4765 3.4765 3.5141 3.5141 4.5152 4.5152 4.6901 4.6901 5.1348 5.1348 5.2139 5.2139 10.4953 10.4953 10.5162 10.5162 11.2101 11.2101 11.2758 11.2758 11.5051 11.5051 k = 0.1029 0.5000 0.2923 ( 6956 PWs) bands (ev): -20.5104 -20.5104 -20.5104 -20.5104 -16.4217 -16.4217 -16.4205 -16.4205 -7.2097 -7.2097 -7.1567 -7.1567 -5.7650 -5.7650 -5.7646 -5.7646 -5.1704 -5.1704 -5.0872 -5.0872 -4.6603 -4.6603 -4.6529 -4.6529 1.8171 1.8171 1.8538 1.8538 1.9261 1.9261 1.9382 1.9382 2.1250 2.1250 2.1731 2.1731 3.4792 3.4792 3.5242 3.5242 4.4921 4.4921 4.6975 4.6975 5.1126 5.1126 5.2067 5.2067 10.5204 10.5204 10.5442 10.5442 11.2098 11.2098 11.2755 11.2755 11.5281 11.5281 k = 0.1176 0.5000 0.2923 ( 6960 PWs) bands (ev): -20.5094 -20.5094 -20.5094 -20.5094 -16.4236 -16.4236 -16.4223 -16.4223 -7.2117 -7.2117 -7.1523 -7.1523 -5.7598 -5.7598 -5.7583 -5.7583 -5.1754 -5.1754 -5.0839 -5.0839 -4.6686 -4.6686 -4.6609 -4.6609 1.8000 1.8000 1.8354 1.8354 1.9296 1.9296 1.9431 1.9431 2.1427 2.1427 2.1909 2.1909 3.4819 3.4819 3.5347 3.5347 4.4682 4.4682 4.7045 4.7045 5.0883 5.0883 5.1981 5.1981 10.5478 10.5478 10.5742 10.5742 11.2129 11.2129 11.2776 11.2776 11.5538 11.5538 k = 0.1324 0.5000 0.2923 ( 6960 PWs) bands (ev): -20.5084 -20.5084 -20.5084 -20.5084 -16.4257 -16.4257 -16.4242 -16.4242 -7.2134 -7.2134 -7.1480 -7.1480 -5.7540 -5.7540 -5.7511 -5.7511 -5.1798 -5.1798 -5.0813 -5.0813 -4.6778 -4.6778 -4.6701 -4.6701 1.7836 1.7836 1.8174 1.8174 1.9340 1.9340 1.9492 1.9492 2.1598 2.1598 2.2078 2.2078 3.4845 3.4845 3.5454 3.5454 4.4439 4.4439 4.7113 4.7113 5.0621 5.0621 5.1882 5.1882 10.5770 10.5770 10.6057 10.6057 11.2200 11.2200 11.2828 11.2828 11.5814 11.5814 k = 0.1471 0.5000 0.2923 ( 6964 PWs) bands (ev): -20.5072 -20.5072 -20.5072 -20.5072 -16.4280 -16.4280 -16.4264 -16.4264 -7.2147 -7.2147 -7.1438 -7.1438 -5.7477 -5.7477 -5.7430 -5.7430 -5.1836 -5.1836 -5.0796 -5.0796 -4.6878 -4.6878 -4.6804 -4.6804 1.7682 1.7682 1.8002 1.8002 1.9393 1.9393 1.9561 1.9561 2.1761 2.1761 2.2236 2.2236 3.4867 3.4867 3.5558 3.5558 4.4196 4.4196 4.7181 4.7181 5.0343 5.0343 5.1775 5.1775 10.6070 10.6070 10.6377 10.6377 11.2315 11.2315 11.2921 11.2921 11.6104 11.6104 k = 0.1618 0.5000 0.2923 ( 6972 PWs) bands (ev): -20.5060 -20.5060 -20.5060 -20.5060 -16.4305 -16.4305 -16.4287 -16.4287 -7.2156 -7.2156 -7.1398 -7.1398 -5.7409 -5.7409 -5.7339 -5.7339 -5.1867 -5.1867 -5.0788 -5.0788 -4.6985 -4.6985 -4.6918 -4.6918 1.7539 1.7539 1.7838 1.7838 1.9453 1.9453 1.9637 1.9637 2.1915 2.1915 2.2384 2.2384 3.4883 3.4883 3.5655 3.5655 4.3955 4.3955 4.7250 4.7250 5.0052 5.0052 5.1659 5.1659 10.6371 10.6371 10.6696 10.6696 11.2479 11.2479 11.3061 11.3061 11.6406 11.6406 k = 0.1765 0.5000 0.2923 ( 6968 PWs) bands (ev): -20.5047 -20.5047 -20.5047 -20.5047 -16.4330 -16.4330 -16.4312 -16.4312 -7.2162 -7.2162 -7.1360 -7.1360 -5.7336 -5.7336 -5.7239 -5.7239 -5.1891 -5.1891 -5.0790 -5.0790 -4.7100 -4.7100 -4.7043 -4.7043 1.7407 1.7407 1.7686 1.7686 1.9521 1.9521 1.9719 1.9719 2.2061 2.2061 2.2522 2.2522 3.4889 3.4889 3.5740 3.5740 4.3722 4.3722 4.7320 4.7320 4.9749 4.9749 5.1538 5.1538 10.6667 10.6667 10.7004 10.7004 11.2695 11.2695 11.3252 11.3252 11.6713 11.6713 k = 0.1912 0.5000 0.2923 ( 6960 PWs) bands (ev): -20.5034 -20.5034 -20.5034 -20.5034 -16.4357 -16.4357 -16.4338 -16.4338 -7.2163 -7.2163 -7.1325 -7.1325 -5.7257 -5.7257 -5.7130 -5.7130 -5.1907 -5.1907 -5.0801 -5.0801 -4.7221 -4.7221 -4.7179 -4.7179 1.7288 1.7288 1.7545 1.7545 1.9595 1.9595 1.9806 1.9806 2.2197 2.2197 2.2650 2.2650 3.4886 3.4886 3.5810 3.5810 4.3502 4.3502 4.7393 4.7393 4.9439 4.9439 5.1412 5.1412 10.6952 10.6952 10.7298 10.7298 11.2967 11.2967 11.3497 11.3497 11.7023 11.7023 k = 0.2059 0.5000 0.2923 ( 6968 PWs) bands (ev): -20.5020 -20.5020 -20.5019 -20.5019 -16.4385 -16.4385 -16.4365 -16.4365 -7.2161 -7.2161 -7.1292 -7.1292 -5.7174 -5.7174 -5.7012 -5.7012 -5.1916 -5.1916 -5.0823 -5.0823 -4.7348 -4.7348 -4.7326 -4.7326 1.7182 1.7182 1.7417 1.7417 1.9675 1.9675 1.9899 1.9899 2.2325 2.2325 2.2767 2.2767 3.4871 3.4871 3.5860 3.5860 4.3298 4.3298 4.7466 4.7466 4.9127 4.9127 5.1285 5.1285 10.7222 10.7222 10.7573 10.7573 11.3292 11.3292 11.3796 11.3796 11.7329 11.7329 k = 0.2206 0.5000 0.2923 ( 6968 PWs) bands (ev): -20.5005 -20.5005 -20.5005 -20.5005 -16.4413 -16.4413 -16.4393 -16.4393 -7.2154 -7.2154 -7.1262 -7.1262 -5.7086 -5.7086 -5.6886 -5.6886 -5.1915 -5.1915 -5.0854 -5.0854 -4.7482 -4.7482 -4.7480 -4.7480 1.7089 1.7089 1.7302 1.7302 1.9761 1.9761 1.9996 1.9996 2.2445 2.2445 2.2874 2.2874 3.4843 3.4843 3.5885 3.5885 4.3116 4.3116 4.7536 4.7536 4.8818 4.8818 5.1158 5.1158 10.7478 10.7478 10.7830 10.7830 11.3670 11.3670 11.4146 11.4146 11.7625 11.7625 k = 0.2353 0.5000 0.2923 ( 6972 PWs) bands (ev): -20.4990 -20.4990 -20.4990 -20.4990 -16.4442 -16.4442 -16.4422 -16.4422 -7.2144 -7.2144 -7.1236 -7.1236 -5.6993 -5.6993 -5.6752 -5.6752 -5.1907 -5.1907 -5.0896 -5.0896 -4.7648 -4.7648 -4.7617 -4.7617 1.7009 1.7009 1.7200 1.7200 1.9852 1.9852 2.0096 2.0096 2.2555 2.2555 2.2971 2.2971 3.4801 3.4801 3.5883 3.5883 4.2960 4.2960 4.7591 4.7591 4.8526 4.8526 5.1031 5.1031 10.7721 10.7721 10.8071 10.8071 11.4092 11.4092 11.4540 11.4540 11.7903 11.7903 k = 0.2500 0.5000 0.2923 ( 6960 PWs) bands (ev): -20.4975 -20.4975 -20.4975 -20.4975 -16.4471 -16.4471 -16.4451 -16.4451 -7.2130 -7.2130 -7.1214 -7.1214 -5.6895 -5.6895 -5.6610 -5.6610 -5.1889 -5.1889 -5.0947 -5.0947 -4.7823 -4.7823 -4.7759 -4.7759 1.6942 1.6942 1.7110 1.7110 1.9948 1.9948 2.0199 2.0199 2.2657 2.2657 2.3058 2.3058 3.4747 3.4747 3.5851 3.5851 4.2831 4.2831 4.7601 4.7601 4.8286 4.8286 5.0907 5.0907 10.7954 10.7954 10.8300 10.8300 11.4553 11.4553 11.4969 11.4969 11.8159 11.8159 k = 0.2647 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4960 -20.4960 -20.4960 -20.4960 -16.4500 -16.4500 -16.4480 -16.4480 -7.2112 -7.2112 -7.1195 -7.1195 -5.6792 -5.6792 -5.6462 -5.6462 -5.1863 -5.1863 -5.1008 -5.1008 -4.8007 -4.8007 -4.7903 -4.7903 1.6886 1.6886 1.7033 1.7033 2.0048 2.0048 2.0305 2.0305 2.2751 2.2751 2.3136 2.3136 3.4680 3.4680 3.5788 3.5788 4.2733 4.2733 4.7500 4.7500 4.8163 4.8163 5.0786 5.0786 10.8183 10.8183 10.8521 10.8521 11.5040 11.5040 11.5422 11.5422 11.8387 11.8387 k = 0.2794 0.5000 0.2923 ( 6984 PWs) bands (ev): -20.4946 -20.4946 -20.4945 -20.4945 -16.4529 -16.4529 -16.4509 -16.4509 -7.2090 -7.2090 -7.1181 -7.1181 -5.6685 -5.6685 -5.6308 -5.6308 -5.1828 -5.1828 -5.1077 -5.1077 -4.8199 -4.8199 -4.8051 -4.8051 1.6842 1.6842 1.6969 1.6969 2.0152 2.0152 2.0412 2.0412 2.2836 2.2836 2.3205 2.3205 3.4602 3.4602 3.5695 3.5695 4.2664 4.2664 4.7281 4.7281 4.8166 4.8166 5.0669 5.0669 10.8413 10.8413 10.8740 10.8740 11.5542 11.5542 11.5884 11.5884 11.8586 11.8586 k = 0.2941 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4931 -20.4931 -20.4931 -20.4931 -16.4557 -16.4557 -16.4537 -16.4537 -7.2064 -7.2064 -7.1171 -7.1171 -5.6573 -5.6573 -5.6150 -5.6150 -5.1785 -5.1785 -5.1153 -5.1153 -4.8397 -4.8397 -4.8201 -4.8201 1.6809 1.6809 1.6916 1.6916 2.0259 2.0259 2.0520 2.0520 2.2914 2.2914 2.3265 2.3265 3.4513 3.4513 3.5575 3.5575 4.2625 4.2625 4.7009 4.7009 4.8231 4.8231 5.0557 5.0557 10.8648 10.8648 10.8962 10.8962 11.6046 11.6046 11.6338 11.6338 11.8761 11.8761 k = 0.3088 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4917 -20.4917 -20.4917 -20.4917 -16.4584 -16.4584 -16.4565 -16.4565 -7.2035 -7.2035 -7.1166 -7.1166 -5.6456 -5.6456 -5.5988 -5.5988 -5.1733 -5.1733 -5.1236 -5.1236 -4.8602 -4.8602 -4.8353 -4.8353 1.6785 1.6785 1.6873 1.6873 2.0368 2.0368 2.0628 2.0628 2.2984 2.2984 2.3317 2.3317 3.4416 3.4416 3.5431 3.5431 4.2613 4.2613 4.6723 4.6723 4.8318 4.8318 5.0450 5.0450 10.8894 10.8894 10.9192 10.9192 11.6533 11.6533 11.6762 11.6762 11.8921 11.8921 k = 0.3235 0.5000 0.2923 ( 6984 PWs) bands (ev): -20.4903 -20.4903 -20.4903 -20.4903 -16.4610 -16.4610 -16.4592 -16.4592 -7.2003 -7.2003 -7.1165 -7.1165 -5.6336 -5.6336 -5.5824 -5.5824 -5.1674 -5.1674 -5.1323 -5.1323 -4.8813 -4.8813 -4.8506 -4.8506 1.6769 1.6769 1.6841 1.6841 2.0479 2.0479 2.0735 2.0735 2.3047 2.3047 2.3360 2.3360 3.4313 3.4313 3.5268 3.5268 4.2626 4.2626 4.6437 4.6437 4.8416 4.8416 5.0349 5.0349 10.9153 10.9153 10.9433 10.9433 11.6981 11.6981 11.7126 11.7126 11.9082 11.9082 k = 0.3382 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4890 -20.4890 -20.4890 -20.4890 -16.4635 -16.4635 -16.4618 -16.4618 -7.1968 -7.1968 -7.1169 -7.1169 -5.6211 -5.6211 -5.5660 -5.5660 -5.1606 -5.1606 -5.1412 -5.1412 -4.9028 -4.9028 -4.8660 -4.8660 1.6761 1.6761 1.6817 1.6817 2.0590 2.0590 2.0840 2.0840 2.3102 2.3102 2.3395 2.3395 3.4206 3.4206 3.5092 3.5092 4.2659 4.2659 4.6157 4.6157 4.8517 4.8517 5.0253 5.0253 10.9430 10.9430 10.9689 10.9689 11.7364 11.7364 11.7395 11.7395 11.9263 11.9263 k = 0.3529 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4877 -20.4877 -20.4877 -20.4877 -16.4658 -16.4658 -16.4642 -16.4642 -7.1930 -7.1930 -7.1177 -7.1177 -5.6083 -5.6083 -5.5499 -5.5499 -5.1532 -5.1532 -5.1500 -5.1500 -4.9245 -4.9245 -4.8814 -4.8814 1.6759 1.6759 1.6801 1.6801 2.0701 2.0701 2.0942 2.0942 2.3151 2.3151 2.3423 2.3423 3.4097 3.4097 3.4907 3.4907 4.2711 4.2711 4.5887 4.5887 4.8618 4.8618 5.0163 5.0163 10.9726 10.9726 10.9961 10.9961 11.7545 11.7545 11.7648 11.7648 11.9480 11.9480 k = 0.3676 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4866 -20.4866 -20.4866 -20.4866 -16.4680 -16.4680 -16.4665 -16.4665 -7.1890 -7.1890 -7.1190 -7.1190 -5.5952 -5.5952 -5.5343 -5.5343 -5.1585 -5.1585 -5.1451 -5.1451 -4.9465 -4.9465 -4.8969 -4.8969 1.6762 1.6762 1.6792 1.6792 2.0810 2.0810 2.1039 2.1039 2.3194 2.3194 2.3443 2.3443 3.3991 3.3991 3.4719 3.4719 4.2778 4.2778 4.5627 4.5627 4.8718 4.8718 5.0079 5.0079 11.0042 11.0042 11.0251 11.0251 11.7569 11.7569 11.7806 11.7806 11.9723 11.9723 k = 0.3824 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4855 -20.4855 -20.4855 -20.4855 -16.4700 -16.4700 -16.4687 -16.4687 -7.1848 -7.1848 -7.1208 -7.1208 -5.5820 -5.5820 -5.5197 -5.5197 -5.1661 -5.1661 -5.1365 -5.1365 -4.9683 -4.9683 -4.9123 -4.9123 1.6768 1.6768 1.6789 1.6789 2.0916 2.0916 2.1130 2.1130 2.3230 2.3230 2.3457 2.3457 3.3888 3.3888 3.4533 3.4533 4.2857 4.2857 4.5378 4.5378 4.8815 4.8815 4.9999 4.9999 11.0377 11.0377 11.0557 11.0557 11.7485 11.7485 11.7824 11.7824 11.9972 11.9972 k = 0.3971 0.5000 0.2923 ( 6980 PWs) bands (ev): -20.4845 -20.4845 -20.4845 -20.4845 -16.4718 -16.4718 -16.4706 -16.4706 -7.1804 -7.1804 -7.1229 -7.1229 -5.5686 -5.5686 -5.5065 -5.5065 -5.1724 -5.1724 -5.1276 -5.1276 -4.9898 -4.9898 -4.9277 -4.9277 1.6776 1.6776 1.6789 1.6789 2.1018 2.1018 2.1214 2.1214 2.3262 2.3262 2.3464 2.3464 3.3793 3.3793 3.4354 3.4354 4.2948 4.2948 4.5142 4.5142 4.8908 4.8908 4.9923 4.9923 11.0732 11.0732 11.0880 11.0880 11.7313 11.7313 11.7711 11.7711 12.0206 12.0206 k = 0.4118 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4837 -20.4837 -20.4837 -20.4837 -16.4734 -16.4734 -16.4723 -16.4723 -7.1758 -7.1758 -7.1255 -7.1255 -5.5552 -5.5552 -5.4952 -5.4952 -5.1769 -5.1769 -5.1188 -5.1188 -5.0105 -5.0105 -4.9429 -4.9429 1.6786 1.6786 1.6793 1.6793 2.1113 2.1113 2.1289 2.1289 2.3289 2.3289 2.3466 2.3466 3.3709 3.3709 3.4186 3.4186 4.3048 4.3048 4.4918 4.4918 4.8998 4.8998 4.9851 4.9851 11.1101 11.1101 11.1217 11.1217 11.7076 11.7076 11.7490 11.7490 12.0409 12.0409 k = 0.4265 0.5000 0.2923 ( 6960 PWs) bands (ev): -20.4829 -20.4829 -20.4829 -20.4829 -16.4747 -16.4747 -16.4738 -16.4738 -7.1712 -7.1712 -7.1285 -7.1285 -5.5419 -5.5419 -5.4863 -5.4863 -5.1789 -5.1789 -5.1110 -5.1110 -5.0292 -5.0292 -4.9579 -4.9579 1.6796 1.6796 1.6799 1.6799 2.1201 2.1201 2.1354 2.1354 2.3312 2.3312 2.3463 2.3463 3.3637 3.3637 3.4032 3.4032 4.3157 4.3157 4.4707 4.4707 4.9084 4.9084 4.9783 4.9783 11.1480 11.1480 11.1561 11.1561 11.6794 11.6794 11.7190 11.7190 12.0578 12.0578 k = 0.4412 0.5000 0.2923 ( 6972 PWs) bands (ev): -20.4823 -20.4823 -20.4823 -20.4823 -16.4758 -16.4758 -16.4751 -16.4751 -7.1664 -7.1664 -7.1318 -7.1318 -5.5291 -5.5291 -5.4803 -5.4803 -5.1782 -5.1782 -5.1061 -5.1061 -5.0438 -5.0438 -4.9727 -4.9727 1.6805 1.6805 1.6805 1.6805 2.1280 2.1280 2.1406 2.1406 2.3333 2.3333 2.3455 2.3455 3.3582 3.3582 3.3895 3.3895 4.3273 4.3273 4.4507 4.4507 4.9165 4.9165 4.9716 4.9716 11.1857 11.1857 11.1906 11.1906 11.6488 11.6488 11.6843 11.6843 12.0712 12.0712 k = 0.4559 0.5000 0.2923 ( 6972 PWs) bands (ev): -20.4819 -20.4819 -20.4818 -20.4818 -16.4766 -16.4766 -16.4761 -16.4761 -7.1617 -7.1617 -7.1354 -7.1354 -5.5169 -5.5169 -5.4775 -5.4775 -5.1742 -5.1742 -5.1080 -5.1080 -5.0503 -5.0503 -4.9872 -4.9872 1.6811 1.6811 1.6812 1.6812 2.1347 2.1347 2.1444 2.1444 2.3351 2.3351 2.3445 2.3445 3.3544 3.3544 3.3777 3.3777 4.3397 4.3397 4.4319 4.4319 4.9242 4.9242 4.9650 4.9650 11.2216 11.2216 11.2235 11.2235 11.6187 11.6187 11.6482 11.6482 12.0814 12.0814 k = 0.4706 0.5000 0.2923 ( 6964 PWs) bands (ev): -20.4815 -20.4815 -20.4815 -20.4815 -16.4772 -16.4772 -16.4768 -16.4768 -7.1570 -7.1570 -7.1394 -7.1394 -5.5056 -5.5056 -5.4778 -5.4778 -5.1671 -5.1671 -5.1176 -5.1176 -5.0474 -5.0474 -5.0013 -5.0013 1.6817 1.6817 1.6818 1.6818 2.1402 2.1402 2.1468 2.1468 2.3368 2.3368 2.3431 2.3431 3.3527 3.3527 3.3681 3.3681 4.3529 4.3529 4.4142 4.4142 4.9316 4.9316 4.9586 4.9586 11.2526 11.2526 11.2528 11.2528 11.5928 11.5928 11.6143 11.6143 12.0887 12.0887 k = 0.4853 0.5000 0.2923 ( 6968 PWs) bands (ev): -20.4813 -20.4813 -20.4813 -20.4813 -16.4775 -16.4775 -16.4773 -16.4773 -7.1524 -7.1524 -7.1435 -7.1435 -5.4956 -5.4956 -5.4812 -5.4812 -5.1571 -5.1571 -5.1310 -5.1310 -5.0388 -5.0388 -5.0148 -5.0148 1.6820 1.6820 1.6821 1.6821 2.1442 2.1442 2.1475 2.1475 2.3385 2.3385 2.3417 2.3417 3.3531 3.3531 3.3608 3.3608 4.3669 4.3669 4.3975 4.3975 4.9387 4.9387 4.9521 4.9521 11.2739 11.2739 11.2747 11.2747 11.5760 11.5760 11.5876 11.5876 12.0934 12.0934 k = 0.5000 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1479 -7.1479 -7.1479 -7.1479 -5.4873 -5.4873 -5.4873 -5.4873 -5.1448 -5.1448 -5.1448 -5.1448 -5.0275 -5.0275 -5.0275 -5.0275 1.6822 1.6822 1.6822 1.6822 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3558 3.3558 3.3558 3.3558 4.3817 4.3817 4.3817 4.3817 4.9455 4.9455 4.9455 4.9455 11.2823 11.2823 11.2823 11.2823 11.5736 11.5736 11.5736 11.5736 12.0958 12.0958 k = 0.5000 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1479 -7.1479 -7.1479 -7.1479 -5.4873 -5.4873 -5.4873 -5.4873 -5.1448 -5.1448 -5.1448 -5.1448 -5.0275 -5.0275 -5.0275 -5.0275 1.6822 1.6822 1.6822 1.6822 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3558 3.3558 3.3558 3.3558 4.3817 4.3817 4.3817 4.3817 4.9455 4.9455 4.9455 4.9455 11.2823 11.2823 11.2823 11.2823 11.5736 11.5736 11.5736 11.5736 12.0958 12.0958 k = 0.4896 0.4896 0.2923 ( 6970 PWs) bands (ev): -20.4814 -20.4814 -20.4812 -20.4812 -16.4775 -16.4775 -16.4773 -16.4773 -7.1524 -7.1524 -7.1435 -7.1435 -5.4957 -5.4957 -5.4811 -5.4811 -5.1573 -5.1573 -5.1309 -5.1309 -5.0389 -5.0389 -5.0147 -5.0147 1.6815 1.6815 1.6827 1.6827 2.1441 2.1441 2.1476 2.1476 2.3384 2.3384 2.3418 2.3418 3.3531 3.3531 3.3608 3.3608 4.3669 4.3669 4.3975 4.3975 4.9386 4.9386 4.9521 4.9521 11.2660 11.2660 11.2831 11.2831 11.5703 11.5703 11.5928 11.5928 12.0934 12.0934 k = 0.4792 0.4792 0.2923 ( 6962 PWs) bands (ev): -20.4818 -20.4818 -20.4812 -20.4812 -16.4772 -16.4772 -16.4768 -16.4768 -7.1571 -7.1571 -7.1393 -7.1393 -5.5062 -5.5062 -5.4772 -5.4772 -5.1680 -5.1680 -5.1161 -5.1161 -5.0488 -5.0488 -5.0007 -5.0007 1.6793 1.6793 1.6841 1.6841 2.1398 2.1398 2.1471 2.1471 2.3358 2.3358 2.3441 2.3441 3.3524 3.3524 3.3684 3.3684 4.3528 4.3528 4.4143 4.4143 4.9313 4.9313 4.9588 4.9588 11.2258 11.2258 11.2852 11.2852 11.5653 11.5653 11.6364 11.6364 12.0884 12.0884 k = 0.4688 0.4687 0.2923 ( 6962 PWs) bands (ev): -20.4826 -20.4826 -20.4811 -20.4811 -16.4766 -16.4766 -16.4761 -16.4761 -7.1619 -7.1619 -7.1352 -7.1352 -5.5187 -5.5187 -5.4753 -5.4753 -5.1767 -5.1767 -5.1015 -5.1015 -5.0562 -5.0562 -4.9856 -4.9856 1.6759 1.6759 1.6866 1.6866 2.1337 2.1337 2.1455 2.1455 2.3322 2.3322 2.3472 2.3472 3.3537 3.3537 3.3786 3.3786 4.3394 4.3394 4.4322 4.4322 4.9234 4.9234 4.9659 4.9659 11.1748 11.1748 11.2889 11.2889 11.5570 11.5570 11.6923 11.6923 12.0809 12.0809 k = 0.4583 0.4583 0.2923 ( 6964 PWs) bands (ev): -20.4836 -20.4836 -20.4811 -20.4811 -16.4758 -16.4758 -16.4750 -16.4750 -7.1669 -7.1669 -7.1313 -7.1313 -5.5330 -5.5330 -5.4753 -5.4753 -5.1834 -5.1834 -5.0902 -5.0902 -5.0587 -5.0587 -4.9696 -4.9696 1.6713 1.6713 1.6900 1.6900 2.1259 2.1259 2.1429 2.1429 2.3272 2.3272 2.3511 2.3511 3.3565 3.3565 3.3913 3.3913 4.3266 4.3266 4.4513 4.4513 4.9147 4.9147 4.9736 4.9736 11.1206 11.1206 11.2940 11.2940 11.5455 11.5455 11.7521 11.7521 12.0708 12.0708 k = 0.4479 0.4479 0.2923 ( 6956 PWs) bands (ev): -20.4849 -20.4849 -20.4810 -20.4810 -16.4747 -16.4747 -16.4737 -16.4737 -7.1721 -7.1721 -7.1275 -7.1275 -5.5490 -5.5490 -5.4768 -5.4768 -5.1882 -5.1882 -5.0874 -5.0874 -5.0512 -5.0512 -4.9528 -4.9528 1.6659 1.6659 1.6944 1.6944 2.1166 2.1166 2.1394 2.1394 2.3210 2.3210 2.3554 2.3554 3.3608 3.3608 3.4064 3.4064 4.3143 4.3143 4.4717 4.4717 4.9052 4.9052 4.9819 4.9819 11.0669 11.0669 11.3006 11.3006 11.5309 11.5309 11.8104 11.8104 12.0584 12.0584 k = 0.4375 0.4375 0.2923 ( 6956 PWs) bands (ev): -20.4865 -20.4865 -20.4809 -20.4809 -16.4734 -16.4734 -16.4721 -16.4721 -7.1773 -7.1773 -7.1239 -7.1239 -5.5663 -5.5663 -5.4797 -5.4797 -5.1912 -5.1912 -5.0904 -5.0904 -5.0368 -5.0368 -4.9354 -4.9354 1.6598 1.6598 1.6998 1.6998 2.1060 2.1060 2.1351 2.1351 2.3134 2.3134 2.3601 2.3601 3.3662 3.3662 3.4237 3.4237 4.3024 4.3024 4.4934 4.4934 4.8949 4.8949 4.9912 4.9912 11.0156 11.0156 11.3086 11.3086 11.5132 11.5132 11.8623 11.8623 12.0445 12.0445 k = 0.4271 0.4271 0.2923 ( 6962 PWs) bands (ev): -20.4884 -20.4884 -20.4808 -20.4808 -16.4719 -16.4719 -16.4702 -16.4702 -7.1827 -7.1827 -7.1204 -7.1204 -5.5848 -5.5848 -5.4834 -5.4834 -5.1926 -5.1926 -5.0947 -5.0947 -5.0203 -5.0203 -4.9176 -4.9176 1.6534 1.6534 1.7061 1.7061 2.0944 2.0944 2.1300 2.1300 2.3045 2.3045 2.3648 2.3648 3.3727 3.3727 3.4430 3.4430 4.2908 4.2908 4.5165 4.5165 4.8837 4.8837 5.0015 5.0015 10.9679 10.9679 11.3182 11.3182 11.4926 11.4926 11.9011 11.9011 12.0297 12.0297 k = 0.4167 0.4167 0.2923 ( 6958 PWs) bands (ev): -20.4906 -20.4906 -20.4806 -20.4806 -16.4701 -16.4701 -16.4681 -16.4681 -7.1881 -7.1881 -7.1171 -7.1171 -5.6040 -5.6040 -5.4878 -5.4878 -5.1928 -5.1928 -5.0988 -5.0988 -5.0034 -5.0034 -4.8996 -4.8996 1.6470 1.6470 1.7135 1.7135 2.0821 2.0821 2.1243 2.1243 2.2944 2.2944 2.3695 2.3695 3.3801 3.3801 3.4638 3.4638 4.2794 4.2794 4.5410 4.5410 4.8720 4.8720 5.0128 5.0128 10.9244 10.9244 11.3292 11.3292 11.4697 11.4697 11.9187 11.9187 12.0135 12.0135 k = 0.4062 0.4062 0.2923 ( 6966 PWs) bands (ev): -20.4930 -20.4930 -20.4805 -20.4805 -16.4681 -16.4681 -16.4658 -16.4658 -7.1937 -7.1937 -7.1138 -7.1138 -5.6239 -5.6239 -5.4924 -5.4924 -5.1919 -5.1919 -5.1024 -5.1024 -4.9866 -4.9866 -4.8815 -4.8815 1.6409 1.6409 1.7218 1.7218 2.0691 2.0691 2.1179 2.1179 2.2830 2.2830 2.3738 2.3738 3.3882 3.3882 3.4858 3.4858 4.2683 4.2683 4.5669 4.5669 4.8599 4.8599 5.0253 5.0253 10.8857 10.8857 11.3417 11.3417 11.4449 11.4449 11.9135 11.9135 11.9922 11.9922 k = 0.3958 0.3958 0.2923 ( 6974 PWs) bands (ev): -20.4956 -20.4956 -20.4803 -20.4803 -16.4659 -16.4659 -16.4632 -16.4632 -7.1992 -7.1992 -7.1107 -7.1107 -5.6441 -5.6441 -5.4970 -5.4970 -5.1903 -5.1903 -5.1053 -5.1053 -4.9704 -4.9704 -4.8637 -4.8637 1.6353 1.6353 1.7312 1.7312 2.0556 2.0556 2.1110 2.1110 2.2704 2.2704 2.3778 2.3778 3.3967 3.3967 3.5087 3.5087 4.2573 4.2573 4.5941 4.5941 4.8476 4.8476 5.0389 5.0389 10.8520 10.8520 11.3556 11.3556 11.4189 11.4189 11.8929 11.8929 11.9636 11.9636 k = 0.3854 0.3854 0.2923 ( 6972 PWs) bands (ev): -20.4985 -20.4985 -20.4802 -20.4802 -16.4634 -16.4634 -16.4604 -16.4604 -7.2048 -7.2048 -7.1077 -7.1077 -5.6644 -5.6644 -5.5014 -5.5014 -5.1882 -5.1882 -5.1075 -5.1075 -4.9549 -4.9549 -4.8462 -4.8462 1.6305 1.6305 1.7415 1.7415 2.0419 2.0419 2.1035 2.1035 2.2568 2.2568 2.3814 2.3814 3.4057 3.4057 3.5322 3.5322 4.2464 4.2464 4.6224 4.6224 4.8354 4.8354 5.0536 5.0536 10.8237 10.8237 11.3702 11.3702 11.3930 11.3930 11.8633 11.8633 11.9292 11.9292 k = 0.3750 0.3750 0.2923 ( 6974 PWs) bands (ev): -20.5016 -20.5016 -20.4800 -20.4800 -16.4608 -16.4608 -16.4574 -16.4574 -7.2103 -7.2103 -7.1048 -7.1048 -5.6847 -5.6847 -5.5054 -5.5054 -5.1858 -5.1858 -5.1088 -5.1088 -4.9402 -4.9402 -4.8294 -4.8294 1.6269 1.6269 1.7528 1.7528 2.0281 2.0281 2.0955 2.0955 2.2420 2.2420 2.3844 2.3844 3.4148 3.4148 3.5561 3.5561 4.2357 4.2357 4.6519 4.6519 4.8237 4.8237 5.0695 5.0695 10.8007 10.8007 11.3642 11.3642 11.3895 11.3895 11.8274 11.8274 11.8921 11.8921 k = 0.3646 0.3646 0.2923 ( 6962 PWs) bands (ev): -20.5049 -20.5049 -20.4798 -20.4798 -16.4580 -16.4580 -16.4541 -16.4541 -7.2158 -7.2158 -7.1020 -7.1020 -5.7048 -5.7048 -5.5089 -5.5089 -5.1833 -5.1833 -5.1094 -5.1094 -4.9266 -4.9266 -4.8132 -4.8132 1.6244 1.6244 1.7651 1.7651 2.0141 2.0141 2.0872 2.0872 2.2262 2.2262 2.3868 2.3868 3.4239 3.4239 3.5800 3.5800 4.2252 4.2252 4.6821 4.6821 4.8130 4.8130 5.0864 5.0864 10.7833 10.7833 11.3395 11.3395 11.4069 11.4069 11.7868 11.7868 11.8546 11.8546 k = 0.3542 0.3542 0.2923 ( 6970 PWs) bands (ev): -20.5084 -20.5084 -20.4796 -20.4796 -16.4551 -16.4551 -16.4507 -16.4507 -7.2212 -7.2212 -7.0993 -7.0993 -5.7245 -5.7245 -5.5118 -5.5118 -5.1809 -5.1809 -5.1091 -5.1091 -4.9141 -4.9141 -4.7979 -4.7979 1.6234 1.6234 1.7783 1.7783 2.0002 2.0002 2.0785 2.0785 2.2095 2.2095 2.3886 2.3886 3.4329 3.4329 3.6037 3.6037 4.2149 4.2149 4.7124 4.7124 4.8038 4.8038 5.1043 5.1043 10.7712 10.7712 11.3162 11.3162 11.4258 11.4258 11.7429 11.7429 11.8180 11.8180 k = 0.3438 0.3437 0.2923 ( 6958 PWs) bands (ev): -20.5121 -20.5121 -20.4793 -20.4793 -16.4519 -16.4519 -16.4472 -16.4472 -7.2264 -7.2264 -7.0967 -7.0967 -5.7437 -5.7437 -5.5139 -5.5139 -5.1787 -5.1787 -5.1080 -5.1080 -4.9029 -4.9029 -4.7835 -4.7835 1.6239 1.6239 1.7924 1.7924 1.9865 1.9865 2.0695 2.0695 2.1920 2.1920 2.3897 2.3897 3.4417 3.4417 3.6271 3.6271 4.2050 4.2050 4.7412 4.7412 4.7981 4.7981 5.1233 5.1233 10.7646 10.7646 11.2952 11.2952 11.4452 11.4452 11.6969 11.6969 11.7827 11.7827 k = 0.3333 0.3333 0.2923 ( 6958 PWs) bands (ev): -20.5159 -20.5159 -20.4791 -20.4791 -16.4486 -16.4486 -16.4435 -16.4435 -7.2315 -7.2315 -7.0942 -7.0942 -5.7623 -5.7623 -5.5153 -5.5153 -5.1767 -5.1767 -5.1061 -5.1061 -4.8931 -4.8931 -4.7702 -4.7702 1.6259 1.6259 1.8073 1.8073 1.9730 1.9730 2.0602 2.0602 2.1737 2.1737 2.3902 2.3902 3.4501 3.4501 3.6501 3.6501 4.1957 4.1957 4.7612 4.7612 4.8030 4.8030 5.1430 5.1430 10.7632 10.7632 11.2772 11.2772 11.4641 11.4641 11.6507 11.6507 11.7485 11.7485 k = 0.3229 0.3229 0.2923 ( 6958 PWs) bands (ev): -20.5199 -20.5199 -20.4789 -20.4789 -16.4452 -16.4452 -16.4396 -16.4396 -7.2364 -7.2364 -7.0918 -7.0918 -5.7802 -5.7802 -5.5159 -5.5159 -5.1751 -5.1751 -5.1035 -5.1035 -4.8846 -4.8846 -4.7580 -4.7580 1.6294 1.6294 1.8231 1.8231 1.9597 1.9597 2.0508 2.0508 2.1547 2.1547 2.3900 2.3900 3.4580 3.4580 3.6723 3.6723 4.1873 4.1873 4.7650 4.7650 4.8258 4.8258 5.1636 5.1636 10.7668 10.7668 11.2626 11.2626 11.4790 11.4790 11.6078 11.6078 11.7157 11.7157 k = 0.3125 0.3125 0.2923 ( 6958 PWs) bands (ev): -20.5240 -20.5240 -20.4786 -20.4786 -16.4417 -16.4417 -16.4356 -16.4356 -7.2409 -7.2409 -7.0896 -7.0896 -5.7973 -5.7973 -5.5156 -5.5156 -5.1737 -5.1737 -5.1004 -5.1004 -4.8776 -4.8776 -4.7469 -4.7469 1.6345 1.6345 1.8396 1.8396 1.9468 1.9468 2.0413 2.0413 2.1351 2.1351 2.3892 2.3892 3.4655 3.4655 3.6936 3.6936 4.1801 4.1801 4.7627 4.7627 4.8565 4.8565 5.1848 5.1848 10.7751 10.7751 11.2515 11.2515 11.4797 11.4797 11.5785 11.5785 11.6841 11.6841 k = 0.3021 0.3021 0.2923 ( 6966 PWs) bands (ev): -20.5282 -20.5282 -20.4784 -20.4784 -16.4381 -16.4381 -16.4316 -16.4316 -7.2452 -7.2452 -7.0874 -7.0874 -5.8135 -5.8135 -5.5146 -5.5146 -5.1727 -5.1727 -5.0969 -5.0969 -4.8720 -4.8720 -4.7370 -4.7370 1.6410 1.6410 1.8567 1.8567 1.9343 1.9343 2.0317 2.0317 2.1152 2.1152 2.3876 2.3876 3.4726 3.4726 3.7138 3.7138 4.1745 4.1745 4.7599 4.7599 4.8893 4.8893 5.2064 5.2064 10.7879 10.7879 11.2442 11.2442 11.4536 11.4536 11.5751 11.5751 11.6539 11.6539 k = 0.2917 0.2917 0.2923 ( 6958 PWs) bands (ev): -20.5325 -20.5325 -20.4781 -20.4781 -16.4344 -16.4344 -16.4274 -16.4274 -7.2491 -7.2491 -7.0854 -7.0854 -5.8288 -5.8288 -5.5128 -5.5128 -5.1718 -5.1718 -5.0932 -5.0932 -4.8678 -4.8678 -4.7284 -4.7284 1.6489 1.6489 1.8741 1.8741 1.9222 1.9222 2.0221 2.0221 2.0951 2.0951 2.3855 2.3855 3.4792 3.4792 3.7327 3.7327 4.1710 4.1710 4.7578 4.7578 4.9228 4.9228 5.2283 5.2283 10.8045 10.8045 11.2405 11.2405 11.4109 11.4109 11.5854 11.5854 11.6250 11.6250 k = 0.2812 0.2812 0.2923 ( 6950 PWs) bands (ev): -20.5368 -20.5368 -20.4779 -20.4779 -16.4306 -16.4306 -16.4232 -16.4232 -7.2527 -7.2527 -7.0836 -7.0836 -5.8432 -5.8432 -5.5101 -5.5101 -5.1711 -5.1711 -5.0896 -5.0896 -4.8650 -4.8650 -4.7210 -4.7210 1.6579 1.6579 1.8917 1.8917 1.9108 1.9108 2.0126 2.0126 2.0750 2.0750 2.3827 2.3827 3.4856 3.4856 3.7501 3.7501 4.1702 4.1702 4.7567 4.7567 4.9563 4.9563 5.2503 5.2503 10.8243 10.8243 11.2401 11.2401 11.3637 11.3637 11.5912 11.5912 11.5979 11.5979 k = 0.2708 0.2708 0.2923 ( 6954 PWs) bands (ev): -20.5412 -20.5412 -20.4776 -20.4776 -16.4268 -16.4268 -16.4190 -16.4190 -7.2558 -7.2558 -7.0819 -7.0819 -5.8565 -5.8565 -5.5068 -5.5068 -5.1705 -5.1705 -5.0861 -5.0861 -4.8635 -4.8635 -4.7148 -4.7148 1.6678 1.6678 1.8991 1.8991 1.9096 1.9096 2.0035 2.0035 2.0553 2.0553 2.3793 2.3793 3.4917 3.4917 3.7658 3.7658 4.1725 4.1725 4.7567 4.7567 4.9896 4.9896 5.2722 5.2722 10.8462 10.8462 11.2425 11.2425 11.3168 11.3168 11.5693 11.5693 11.5728 11.5728 k = 0.2604 0.2604 0.2923 ( 6950 PWs) bands (ev): -20.5456 -20.5456 -20.4773 -20.4773 -16.4229 -16.4229 -16.4147 -16.4147 -7.2585 -7.2585 -7.0803 -7.0803 -5.8688 -5.8688 -5.5027 -5.5027 -5.1699 -5.1699 -5.0830 -5.0830 -4.8631 -4.8631 -4.7098 -4.7098 1.6784 1.6784 1.8889 1.8889 1.9252 1.9252 1.9953 1.9953 2.0364 2.0364 2.3753 2.3753 3.4977 3.4977 3.7799 3.7799 4.1781 4.1781 4.7576 4.7576 5.0226 5.0226 5.2937 5.2937 10.8688 10.8688 11.2466 11.2466 11.2734 11.2734 11.5047 11.5047 11.5468 11.5468 k = 0.2500 0.2500 0.2923 ( 6964 PWs) bands (ev): -20.5501 -20.5501 -20.4771 -20.4771 -16.4190 -16.4190 -16.4104 -16.4104 -7.2607 -7.2607 -7.0790 -7.0790 -5.8800 -5.8800 -5.4980 -5.4980 -5.1695 -5.1695 -5.0806 -5.0806 -4.8636 -4.8636 -4.7059 -4.7059 1.6894 1.6894 1.8790 1.8790 1.9366 1.9366 1.9902 1.9902 2.0194 2.0194 2.3708 2.3708 3.5037 3.5037 3.7924 3.7924 4.1874 4.1874 4.7594 4.7594 5.0551 5.0551 5.3145 5.3145 10.8896 10.8896 11.2338 11.2338 11.2533 11.2533 11.4154 11.4154 11.5235 11.5235 k = 0.2396 0.2396 0.2923 ( 6952 PWs) bands (ev): -20.5545 -20.5545 -20.4768 -20.4768 -16.4151 -16.4151 -16.4061 -16.4061 -7.2623 -7.2623 -7.0779 -7.0779 -5.8901 -5.8901 -5.4926 -5.4926 -5.1691 -5.1691 -5.0790 -5.0790 -4.8649 -4.8649 -4.7032 -4.7032 1.7006 1.7006 1.8696 1.8696 1.9387 1.9387 1.9902 1.9902 2.0074 2.0074 2.3658 2.3658 3.5098 3.5098 3.8038 3.8038 4.2002 4.2002 4.7618 4.7618 5.0870 5.0870 5.3345 5.3345 10.9049 10.9049 11.2067 11.2067 11.2470 11.2470 11.3307 11.3307 11.5005 11.5005 k = 0.2292 0.2292 0.2923 ( 6948 PWs) bands (ev): -20.5589 -20.5589 -20.4766 -20.4766 -16.4112 -16.4112 -16.4019 -16.4019 -7.2635 -7.2635 -7.0770 -7.0770 -5.8990 -5.8990 -5.4867 -5.4867 -5.1688 -5.1688 -5.0783 -5.0783 -4.8668 -4.8668 -4.7016 -4.7016 1.7115 1.7115 1.8609 1.8609 1.9308 1.9308 1.9845 1.9845 2.0116 2.0116 2.3604 2.3604 3.5161 3.5161 3.8145 3.8145 4.2164 4.2164 4.7648 4.7648 5.1182 5.1182 5.3534 5.3534 10.9105 10.9105 11.1810 11.1810 11.1995 11.1995 11.2998 11.2998 11.4467 11.4467 k = 0.2188 0.2187 0.2923 ( 6954 PWs) bands (ev): -20.5632 -20.5632 -20.4763 -20.4763 -16.4073 -16.4073 -16.3977 -16.3977 -7.2641 -7.2641 -7.0764 -7.0764 -5.9068 -5.9068 -5.4803 -5.4803 -5.1686 -5.1686 -5.0787 -5.0787 -4.8691 -4.8691 -4.7010 -4.7010 1.7218 1.7218 1.8528 1.8528 1.9175 1.9175 1.9744 1.9744 2.0263 2.0263 2.3545 2.3545 3.5228 3.5228 3.8249 3.8249 4.2355 4.2355 4.7682 4.7682 5.1487 5.1487 5.3710 5.3710 10.9036 10.9036 11.0910 11.0910 11.1993 11.1993 11.3023 11.3023 11.3456 11.3456 k = 0.2083 0.2083 0.2923 ( 6934 PWs) bands (ev): -20.5675 -20.5675 -20.4761 -20.4761 -16.4035 -16.4035 -16.3935 -16.3935 -7.2642 -7.2642 -7.0761 -7.0761 -5.9134 -5.9134 -5.4735 -5.4735 -5.1687 -5.1687 -5.0802 -5.0802 -4.8716 -4.8716 -4.7013 -4.7013 1.7309 1.7309 1.8454 1.8454 1.9023 1.9023 1.9651 1.9651 2.0433 2.0433 2.3484 2.3484 3.5299 3.5299 3.8358 3.8358 4.2572 4.2572 4.7718 4.7718 5.1781 5.1781 5.3871 5.3871 10.8851 10.8851 10.9954 10.9954 11.2149 11.2149 11.2375 11.2375 11.3185 11.3185 k = 0.1979 0.1979 0.2923 ( 6920 PWs) bands (ev): -20.5717 -20.5717 -20.4758 -20.4758 -16.3997 -16.3997 -16.3895 -16.3895 -7.2637 -7.2637 -7.0760 -7.0760 -5.9189 -5.9189 -5.4663 -5.4663 -5.1692 -5.1692 -5.0828 -5.0828 -4.8742 -4.8742 -4.7023 -4.7023 1.7383 1.7383 1.8389 1.8389 1.8868 1.8868 1.9568 1.9568 2.0609 2.0609 2.3419 2.3419 3.5375 3.5375 3.8475 3.8475 4.2810 4.2810 4.7754 4.7754 5.2064 5.2064 5.4018 5.4018 10.8516 10.8516 10.9097 10.9097 11.1332 11.1332 11.2426 11.2426 11.3317 11.3317 k = 0.1875 0.1875 0.2923 ( 6932 PWs) bands (ev): -20.5758 -20.5758 -20.4756 -20.4756 -16.3960 -16.3960 -16.3855 -16.3855 -7.2626 -7.2626 -7.0763 -7.0763 -5.9232 -5.9232 -5.4588 -5.4588 -5.1704 -5.1704 -5.0862 -5.0862 -4.8768 -4.8768 -4.7040 -4.7040 1.7433 1.7433 1.8332 1.8332 1.8722 1.8722 1.9495 1.9495 2.0781 2.0781 2.3352 2.3352 3.5458 3.5458 3.8606 3.8606 4.3063 4.3063 4.7791 4.7791 5.2333 5.2333 5.4151 5.4151 10.7819 10.7819 10.8607 10.8607 11.0335 11.0335 11.2680 11.2680 11.3498 11.3498 k = 0.1771 0.1771 0.2923 ( 6942 PWs) bands (ev): -20.5798 -20.5798 -20.4754 -20.4754 -16.3924 -16.3924 -16.3817 -16.3817 -7.2610 -7.2610 -7.0770 -7.0770 -5.9264 -5.9264 -5.4510 -5.4510 -5.1724 -5.1724 -5.0900 -5.0900 -4.8795 -4.8795 -4.7062 -4.7062 1.7448 1.7448 1.8288 1.8288 1.8594 1.8594 1.9430 1.9430 2.0948 2.0948 2.3283 2.3283 3.5546 3.5546 3.8755 3.8755 4.3327 4.3327 4.7826 4.7826 5.2581 5.2581 5.4275 5.4275 10.6939 10.6939 10.8333 10.8333 10.9369 10.9369 11.2861 11.2861 11.3742 11.3742 k = 0.1667 0.1667 0.2923 ( 6938 PWs) bands (ev): -20.5837 -20.5837 -20.4752 -20.4752 -16.3890 -16.3890 -16.3780 -16.3780 -7.2589 -7.2589 -7.0779 -7.0779 -5.9284 -5.9284 -5.4431 -5.4431 -5.1759 -5.1759 -5.0938 -5.0938 -4.8824 -4.8824 -4.7088 -4.7088 1.7425 1.7425 1.8258 1.8258 1.8491 1.8491 1.9373 1.9373 2.1107 2.1107 2.3214 2.3214 3.5641 3.5641 3.8922 3.8922 4.3596 4.3596 4.7858 4.7858 5.2804 5.2804 5.4394 5.4394 10.6054 10.6054 10.8096 10.8096 10.8460 10.8460 11.2939 11.2939 11.3874 11.3874 k = 0.1562 0.1562 0.2923 ( 6930 PWs) bands (ev): -20.5874 -20.5874 -20.4749 -20.4749 -16.3856 -16.3856 -16.3744 -16.3744 -7.2562 -7.2562 -7.0793 -7.0793 -5.9294 -5.9294 -5.4351 -5.4351 -5.1810 -5.1810 -5.0969 -5.0969 -4.8856 -4.8856 -4.7115 -4.7115 1.7363 1.7363 1.8238 1.8238 1.8415 1.8415 1.9324 1.9324 2.1255 2.1255 2.3144 2.3144 3.5744 3.5744 3.9111 3.9111 4.3865 4.3865 4.7887 4.7887 5.2991 5.2991 5.4517 5.4517 10.5194 10.5194 10.7490 10.7490 10.8000 10.8000 11.2934 11.2934 11.3734 11.3734 k = 0.1458 0.1458 0.2923 ( 6932 PWs) bands (ev): -20.5909 -20.5909 -20.4748 -20.4748 -16.3824 -16.3824 -16.3710 -16.3710 -7.2531 -7.2531 -7.0811 -7.0811 -5.9294 -5.9294 -5.4271 -5.4271 -5.1882 -5.1882 -5.0989 -5.0989 -4.8892 -4.8892 -4.7142 -4.7142 1.7269 1.7269 1.8220 1.8220 1.8368 1.8368 1.9282 1.9282 2.1392 2.1392 2.3076 2.3076 3.5852 3.5852 3.9321 3.9321 4.4130 4.4130 4.7911 4.7911 5.3135 5.3135 5.4654 5.4654 10.4370 10.4370 10.6648 10.6648 10.7853 10.7853 11.2872 11.2872 11.3585 11.3585 k = 0.1354 0.1354 0.2923 ( 6934 PWs) bands (ev): -20.5942 -20.5942 -20.4746 -20.4746 -16.3793 -16.3793 -16.3678 -16.3678 -7.2494 -7.2494 -7.0832 -7.0832 -5.9285 -5.9285 -5.4192 -5.4192 -5.1972 -5.1972 -5.0995 -5.0995 -4.8935 -4.8935 -4.7168 -4.7168 1.7156 1.7156 1.8198 1.8198 1.8347 1.8347 1.9248 1.9248 2.1515 2.1515 2.3011 2.3011 3.5967 3.5967 3.9552 3.9552 4.4385 4.4385 4.7929 4.7929 5.3229 5.3229 5.4811 5.4811 10.3586 10.3586 10.5839 10.5839 10.7753 10.7753 11.2777 11.2777 11.3465 11.3465 k = 0.1250 0.1250 0.2923 ( 6922 PWs) bands (ev): -20.5974 -20.5974 -20.4744 -20.4744 -16.3764 -16.3764 -16.3647 -16.3647 -7.2454 -7.2454 -7.0857 -7.0857 -5.9267 -5.9267 -5.4114 -5.4114 -5.2080 -5.2080 -5.0986 -5.0986 -4.8985 -4.8985 -4.7190 -4.7190 1.7032 1.7032 1.8172 1.8172 1.8342 1.8342 1.9222 1.9222 2.1624 2.1624 2.2948 2.2948 3.6085 3.6085 3.9804 3.9804 4.4624 4.4624 4.7943 4.7943 5.3273 5.3273 5.4989 5.4989 10.2845 10.2845 10.5074 10.5074 10.7685 10.7685 11.2670 11.2670 11.3373 11.3373 k = 0.1146 0.1146 0.2923 ( 6922 PWs) bands (ev): -20.6004 -20.6004 -20.4742 -20.4742 -16.3737 -16.3737 -16.3619 -16.3619 -7.2409 -7.2409 -7.0886 -7.0886 -5.9241 -5.9241 -5.4040 -5.4040 -5.2199 -5.2199 -5.0964 -5.0964 -4.9044 -4.9044 -4.7209 -4.7209 1.6906 1.6906 1.8148 1.8148 1.8341 1.8341 1.9201 1.9201 2.1719 2.1719 2.2891 2.2891 3.6207 3.6207 4.0076 4.0076 4.4842 4.4842 4.7951 4.7951 5.3273 5.3273 5.5185 5.5185 10.2152 10.2152 10.4359 10.4359 10.7642 10.7642 11.2567 11.2567 11.3301 11.3301 k = 0.1042 0.1042 0.2923 ( 6926 PWs) bands (ev): -20.6031 -20.6031 -20.4741 -20.4741 -16.3711 -16.3711 -16.3593 -16.3593 -7.2362 -7.2362 -7.0918 -7.0918 -5.9209 -5.9209 -5.3968 -5.3968 -5.2327 -5.2327 -5.0930 -5.0930 -4.9113 -4.9113 -4.7224 -4.7224 1.6781 1.6781 1.8128 1.8128 1.8341 1.8341 1.9186 1.9186 2.1798 2.1798 2.2839 2.2839 3.6329 3.6329 4.0367 4.0367 4.5030 4.5030 4.7955 4.7955 5.3240 5.3240 5.5391 5.5391 10.1508 10.1508 10.3696 10.3696 10.7618 10.7618 11.2477 11.2477 11.3243 11.3243 k = 0.0938 0.0937 0.2923 ( 6926 PWs) bands (ev): -20.6056 -20.6056 -20.4739 -20.4739 -16.3688 -16.3688 -16.3569 -16.3569 -7.2312 -7.2312 -7.0953 -7.0953 -5.9172 -5.9172 -5.3901 -5.3901 -5.2458 -5.2458 -5.0885 -5.0885 -4.9191 -4.9191 -4.7234 -4.7234 1.6662 1.6662 1.8111 1.8111 1.8339 1.8339 1.9175 1.9175 2.1862 2.1862 2.2795 2.2795 3.6449 3.6449 4.0674 4.0674 4.5181 4.5181 4.7957 4.7957 5.3182 5.3182 5.5600 5.5600 10.0917 10.0917 10.3088 10.3088 10.7606 10.7606 11.2405 11.2405 11.3194 11.3194 k = 0.0833 0.0833 0.2923 ( 6934 PWs) bands (ev): -20.6079 -20.6079 -20.4738 -20.4738 -16.3667 -16.3667 -16.3547 -16.3547 -7.2259 -7.2259 -7.0991 -7.0991 -5.9131 -5.9131 -5.3839 -5.3839 -5.2587 -5.2587 -5.0830 -5.0830 -4.9277 -4.9277 -4.7240 -4.7240 1.6552 1.6552 1.8099 1.8099 1.8335 1.8335 1.9167 1.9167 2.1910 2.1910 2.2759 2.2759 3.6564 3.6564 4.0996 4.0996 4.5287 4.5287 4.7960 4.7960 5.3110 5.3110 5.5806 5.5806 10.0380 10.0380 10.2537 10.2537 10.7602 10.7602 11.2350 11.2350 11.3152 11.3152 k = 0.0729 0.0729 0.2923 ( 6936 PWs) bands (ev): -20.6099 -20.6099 -20.4737 -20.4737 -16.3648 -16.3648 -16.3527 -16.3527 -7.2207 -7.2207 -7.1031 -7.1031 -5.9088 -5.9088 -5.3784 -5.3784 -5.2711 -5.2711 -5.0767 -5.0767 -4.9371 -4.9371 -4.7243 -4.7243 1.6451 1.6451 1.8089 1.8089 1.8328 1.8328 1.9162 1.9162 2.1945 2.1945 2.2731 2.2731 3.6673 3.6673 4.1329 4.1329 4.5342 4.5342 4.7967 4.7967 5.3031 5.3031 5.6001 5.6001 9.9901 9.9901 10.2045 10.2045 10.7600 10.7600 11.2311 11.2311 11.3116 11.3116 k = 0.0625 0.0625 0.2923 ( 6928 PWs) bands (ev): -20.6117 -20.6117 -20.4736 -20.4736 -16.3632 -16.3632 -16.3510 -16.3510 -7.2154 -7.2154 -7.1072 -7.1072 -5.9046 -5.9046 -5.3736 -5.3736 -5.2825 -5.2825 -5.0696 -5.0696 -4.9471 -4.9471 -4.7243 -4.7243 1.6361 1.6361 1.8083 1.8083 1.8321 1.8321 1.9159 1.9159 2.1967 2.1967 2.2711 2.2711 3.6772 3.6772 4.1670 4.1670 4.5342 4.5342 4.7980 4.7980 5.2952 5.2952 5.6181 5.6181 9.9481 9.9481 10.1615 10.1615 10.7599 10.7599 11.2284 11.2284 11.3083 11.3083 k = 0.0521 0.0521 0.2923 ( 6918 PWs) bands (ev): -20.6132 -20.6132 -20.4735 -20.4735 -16.3618 -16.3618 -16.3496 -16.3496 -7.2103 -7.2103 -7.1112 -7.1112 -5.9005 -5.9005 -5.3696 -5.3696 -5.2927 -5.2927 -5.0617 -5.0617 -4.9577 -4.9577 -4.7242 -4.7242 1.6284 1.6284 1.8078 1.8078 1.8314 1.8314 1.9156 1.9156 2.1979 2.1979 2.2699 2.2699 3.6860 3.6860 4.2015 4.2015 4.5285 4.5285 4.7999 4.7999 5.2878 5.2878 5.6341 5.6341 9.9122 9.9122 10.1248 10.1248 10.7597 10.7597 11.2267 11.2267 11.3056 11.3056 k = 0.0417 0.0417 0.2923 ( 6914 PWs) bands (ev): -20.6145 -20.6145 -20.4735 -20.4735 -16.3606 -16.3606 -16.3484 -16.3484 -7.2056 -7.2056 -7.1151 -7.1151 -5.8969 -5.8969 -5.3665 -5.3665 -5.3013 -5.3013 -5.0532 -5.0532 -4.9685 -4.9685 -4.7240 -4.7240 1.6220 1.6220 1.8075 1.8075 1.8307 1.8307 1.9155 1.9155 2.1984 2.1984 2.2691 2.2691 3.6934 3.6934 4.2354 4.2354 4.5177 4.5177 4.8022 4.8022 5.2813 5.2813 5.6479 5.6479 9.8826 9.8826 10.0945 10.0945 10.7595 10.7595 11.2256 11.2256 11.3033 11.3033 k = 0.0312 0.0312 0.2923 ( 6918 PWs) bands (ev): -20.6155 -20.6155 -20.4734 -20.4734 -16.3597 -16.3597 -16.3474 -16.3474 -7.2014 -7.2014 -7.1185 -7.1185 -5.8938 -5.8938 -5.3643 -5.3643 -5.3080 -5.3080 -5.0441 -5.0441 -4.9796 -4.9796 -4.7237 -4.7237 1.6170 1.6170 1.8073 1.8073 1.8301 1.8301 1.9154 1.9154 2.1985 2.1985 2.2687 2.2687 3.6993 3.6993 4.2677 4.2677 4.5031 4.5031 4.8047 4.8047 5.2761 5.2761 5.6589 5.6589 9.8595 9.8595 10.0708 10.0708 10.7591 10.7591 11.2248 11.2248 11.3015 11.3015 k = 0.0208 0.0208 0.2923 ( 6900 PWs) bands (ev): -20.6162 -20.6162 -20.4734 -20.4734 -16.3590 -16.3590 -16.3468 -16.3468 -7.1981 -7.1981 -7.1213 -7.1213 -5.8915 -5.8915 -5.3629 -5.3629 -5.3127 -5.3127 -5.0345 -5.0345 -4.9906 -4.9906 -4.7235 -4.7235 1.6133 1.6133 1.8072 1.8072 1.8297 1.8297 1.9154 1.9154 2.1983 2.1983 2.2686 2.2686 3.7037 3.7037 4.2965 4.2965 4.4868 4.4868 4.8068 4.8068 5.2722 5.2722 5.6670 5.6670 9.8428 9.8428 10.0539 10.0539 10.7588 10.7588 11.2244 11.2244 11.3002 11.3002 k = 0.0104 0.0104 0.2923 ( 6908 PWs) bands (ev): -20.6166 -20.6166 -20.4733 -20.4733 -16.3586 -16.3586 -16.3464 -16.3464 -7.1960 -7.1960 -7.1231 -7.1231 -5.8901 -5.8901 -5.3621 -5.3621 -5.3156 -5.3156 -5.0247 -5.0247 -5.0012 -5.0012 -4.7233 -4.7233 1.6111 1.6111 1.8071 1.8071 1.8294 1.8294 1.9153 1.9153 2.1982 2.1982 2.2685 2.2685 3.7063 3.7063 4.3179 4.3179 4.4727 4.4727 4.8082 4.8082 5.2699 5.2699 5.6719 5.6719 9.8328 9.8328 10.0436 10.0436 10.7586 10.7586 11.2241 11.2241 11.2994 11.2994 k = 0.0000 0.0000 0.2923 ( 6906 PWs) bands (ev): -20.6167 -20.6167 -20.4733 -20.4733 -16.3585 -16.3585 -16.3462 -16.3462 -7.1952 -7.1952 -7.1238 -7.1238 -5.8896 -5.8896 -5.3619 -5.3619 -5.3165 -5.3165 -5.0178 -5.0178 -5.0084 -5.0084 -4.7233 -4.7233 1.6104 1.6104 1.8071 1.8071 1.8293 1.8293 1.9153 1.9153 2.1981 2.1981 2.2685 2.2685 3.7072 3.7072 4.3263 4.3263 4.4667 4.4667 4.8087 4.8087 5.2691 5.2691 5.6736 5.6736 9.8295 9.8295 10.0402 10.0402 10.7585 10.7585 11.2241 11.2241 11.2991 11.2991 k = 0.0000 0.5000-0.0000 ( 6936 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1809 -7.1809 -7.1809 -7.1809 -5.7635 -5.7635 -5.7635 -5.7635 -5.1593 -5.1593 -5.1593 -5.1593 -4.6407 -4.6407 -4.6407 -4.6407 1.9067 1.9067 1.9067 1.9067 1.9762 1.9762 1.9762 1.9762 2.0532 2.0532 2.0532 2.0532 3.5960 3.5960 3.5960 3.5960 4.6307 4.6307 4.6307 4.6307 5.1765 5.1765 5.1765 5.1765 10.1375 10.1375 10.1375 10.1375 10.5374 10.5374 10.5374 10.5374 11.1014 11.1014 k = 0.0000 0.5000 0.0146 ( 6948 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1810 -7.1810 -7.1810 -7.1810 -5.7637 -5.7637 -5.7637 -5.7637 -5.1591 -5.1591 -5.1591 -5.1591 -4.6406 -4.6406 -4.6406 -4.6406 1.9066 1.9066 1.9066 1.9066 1.9762 1.9762 1.9762 1.9762 2.0531 2.0531 2.0531 2.0531 3.5952 3.5952 3.5952 3.5952 4.6306 4.6306 4.6306 4.6306 5.1768 5.1768 5.1768 5.1768 10.1392 10.1392 10.1392 10.1392 10.5411 10.5411 10.5411 10.5411 11.1028 11.1028 k = 0.0000 0.5000 0.0292 ( 6958 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1811 -7.1811 -7.1811 -7.1811 -5.7640 -5.7640 -5.7640 -5.7640 -5.1584 -5.1584 -5.1584 -5.1584 -4.6404 -4.6404 -4.6404 -4.6404 1.9065 1.9065 1.9065 1.9065 1.9760 1.9760 1.9760 1.9760 2.0527 2.0527 2.0527 2.0527 3.5928 3.5928 3.5928 3.5928 4.6305 4.6305 4.6305 4.6305 5.1777 5.1777 5.1777 5.1777 10.1444 10.1444 10.1444 10.1444 10.5522 10.5522 10.5522 10.5522 11.1068 11.1068 k = 0.0000 0.5000 0.0438 ( 6966 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1813 -7.1813 -7.1813 -7.1813 -5.7647 -5.7647 -5.7647 -5.7647 -5.1574 -5.1574 -5.1574 -5.1574 -4.6401 -4.6401 -4.6401 -4.6401 1.9063 1.9063 1.9063 1.9063 1.9758 1.9758 1.9758 1.9758 2.0522 2.0522 2.0522 2.0522 3.5889 3.5889 3.5889 3.5889 4.6302 4.6302 4.6302 4.6302 5.1792 5.1792 5.1792 5.1792 10.1528 10.1528 10.1528 10.1528 10.5706 10.5706 10.5706 10.5706 11.1136 11.1136 k = 0.0000 0.5000 0.0585 ( 6964 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1816 -7.1816 -7.1816 -7.1816 -5.7656 -5.7656 -5.7656 -5.7656 -5.1560 -5.1560 -5.1560 -5.1560 -4.6396 -4.6396 -4.6396 -4.6396 1.9060 1.9060 1.9060 1.9060 1.9755 1.9755 1.9755 1.9755 2.0515 2.0515 2.0515 2.0515 3.5837 3.5837 3.5837 3.5837 4.6299 4.6299 4.6299 4.6299 5.1811 5.1811 5.1811 5.1811 10.1642 10.1642 10.1642 10.1642 10.5961 10.5961 10.5961 10.5961 11.1231 11.1231 k = 0.0000 0.5000 0.0731 ( 6960 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1819 -7.1819 -7.1819 -7.1819 -5.7666 -5.7666 -5.7666 -5.7666 -5.1542 -5.1542 -5.1542 -5.1542 -4.6391 -4.6391 -4.6391 -4.6391 1.9056 1.9056 1.9056 1.9056 1.9752 1.9752 1.9752 1.9752 2.0507 2.0507 2.0507 2.0507 3.5772 3.5772 3.5772 3.5772 4.6296 4.6296 4.6296 4.6296 5.1836 5.1836 5.1836 5.1836 10.1783 10.1783 10.1783 10.1783 10.6286 10.6286 10.6286 10.6286 11.1352 11.1352 k = 0.0000 0.5000 0.0877 ( 6960 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1823 -7.1823 -7.1823 -7.1823 -5.7679 -5.7679 -5.7679 -5.7679 -5.1521 -5.1521 -5.1521 -5.1521 -4.6384 -4.6384 -4.6384 -4.6384 1.9052 1.9052 1.9052 1.9052 1.9748 1.9748 1.9748 1.9748 2.0496 2.0496 2.0496 2.0496 3.5696 3.5696 3.5696 3.5696 4.6292 4.6292 4.6292 4.6292 5.1863 5.1863 5.1863 5.1863 10.1947 10.1947 10.1947 10.1947 10.6676 10.6676 10.6676 10.6676 11.1500 11.1500 k = 0.0000 0.5000 0.1023 ( 6958 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1827 -7.1827 -7.1827 -7.1827 -5.7693 -5.7693 -5.7693 -5.7693 -5.1499 -5.1499 -5.1499 -5.1499 -4.6377 -4.6377 -4.6377 -4.6377 1.9047 1.9047 1.9047 1.9047 1.9743 1.9743 1.9743 1.9743 2.0485 2.0485 2.0485 2.0485 3.5612 3.5612 3.5612 3.5612 4.6289 4.6289 4.6289 4.6289 5.1894 5.1894 5.1894 5.1894 10.2131 10.2131 10.2131 10.2131 10.7126 10.7126 10.7126 10.7126 11.1672 11.1672 k = 0.0000 0.5000 0.1169 ( 6950 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1832 -7.1832 -7.1832 -7.1832 -5.7708 -5.7708 -5.7708 -5.7708 -5.1474 -5.1474 -5.1474 -5.1474 -4.6369 -4.6369 -4.6369 -4.6369 1.9041 1.9041 1.9041 1.9041 1.9737 1.9737 1.9737 1.9737 2.0473 2.0473 2.0473 2.0473 3.5522 3.5522 3.5522 3.5522 4.6285 4.6285 4.6285 4.6285 5.1925 5.1925 5.1925 5.1925 10.2330 10.2330 10.2330 10.2330 10.7627 10.7627 10.7627 10.7627 11.1870 11.1870 k = 0.0000 0.5000 0.1315 ( 6954 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1836 -7.1836 -7.1836 -7.1836 -5.7723 -5.7723 -5.7723 -5.7723 -5.1449 -5.1449 -5.1449 -5.1449 -4.6361 -4.6361 -4.6361 -4.6361 1.9035 1.9035 1.9035 1.9035 1.9732 1.9732 1.9732 1.9732 2.0460 2.0460 2.0460 2.0460 3.5428 3.5428 3.5428 3.5428 4.6282 4.6282 4.6282 4.6282 5.1958 5.1958 5.1958 5.1958 10.2541 10.2541 10.2541 10.2541 10.8171 10.8171 10.8171 10.8171 11.2091 11.2091 k = 0.0000 0.5000 0.1461 ( 6962 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1841 -7.1841 -7.1841 -7.1841 -5.7739 -5.7739 -5.7739 -5.7739 -5.1423 -5.1423 -5.1423 -5.1423 -4.6352 -4.6352 -4.6352 -4.6352 1.9029 1.9029 1.9029 1.9029 1.9726 1.9726 1.9726 1.9726 2.0447 2.0447 2.0447 2.0447 3.5333 3.5333 3.5333 3.5333 4.6279 4.6279 4.6279 4.6279 5.1990 5.1990 5.1990 5.1990 10.2758 10.2758 10.2758 10.2758 10.8745 10.8745 10.8745 10.8745 11.2335 11.2335 k = 0.0000 0.5000 0.1607 ( 6964 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1846 -7.1846 -7.1846 -7.1846 -5.7755 -5.7755 -5.7755 -5.7755 -5.1397 -5.1397 -5.1397 -5.1397 -4.6343 -4.6343 -4.6343 -4.6343 1.9022 1.9022 1.9022 1.9022 1.9720 1.9720 1.9720 1.9720 2.0434 2.0434 2.0434 2.0434 3.5238 3.5238 3.5238 3.5238 4.6277 4.6277 4.6277 4.6277 5.2022 5.2022 5.2022 5.2022 10.2978 10.2978 10.2978 10.2978 10.9333 10.9333 10.9333 10.9333 11.2599 11.2599 k = 0.0000 0.5000 0.1754 ( 6952 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1851 -7.1851 -7.1851 -7.1851 -5.7770 -5.7770 -5.7770 -5.7770 -5.1372 -5.1372 -5.1372 -5.1372 -4.6335 -4.6335 -4.6335 -4.6335 1.9015 1.9015 1.9015 1.9015 1.9715 1.9715 1.9715 1.9715 2.0422 2.0422 2.0422 2.0422 3.5147 3.5147 3.5147 3.5147 4.6275 4.6275 4.6275 4.6275 5.2051 5.2051 5.2051 5.2051 10.3196 10.3196 10.3196 10.3196 10.9919 10.9919 10.9919 10.9919 11.2882 11.2882 k = 0.0000 0.5000 0.1900 ( 6962 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1856 -7.1856 -7.1856 -7.1856 -5.7784 -5.7784 -5.7784 -5.7784 -5.1348 -5.1348 -5.1348 -5.1348 -4.6326 -4.6326 -4.6326 -4.6326 1.9008 1.9008 1.9008 1.9008 1.9709 1.9709 1.9709 1.9709 2.0410 2.0410 2.0410 2.0410 3.5061 3.5061 3.5061 3.5061 4.6274 4.6274 4.6274 4.6274 5.2079 5.2079 5.2079 5.2079 10.3407 10.3407 10.3407 10.3407 11.0484 11.0484 11.0484 11.0484 11.3179 11.3179 k = 0.0000 0.5000 0.2046 ( 6958 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1860 -7.1860 -7.1860 -7.1860 -5.7797 -5.7797 -5.7797 -5.7797 -5.1327 -5.1327 -5.1327 -5.1327 -4.6319 -4.6319 -4.6319 -4.6319 1.9002 1.9002 1.9002 1.9002 1.9704 1.9704 1.9704 1.9704 2.0400 2.0400 2.0400 2.0400 3.4982 3.4982 3.4982 3.4982 4.6273 4.6273 4.6273 4.6273 5.2103 5.2103 5.2103 5.2103 10.3605 10.3605 10.3605 10.3605 11.1007 11.1007 11.1007 11.1007 11.3486 11.3486 k = 0.0000 0.5000 0.2192 ( 6966 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1864 -7.1864 -7.1864 -7.1864 -5.7809 -5.7809 -5.7809 -5.7809 -5.1308 -5.1308 -5.1308 -5.1308 -4.6312 -4.6312 -4.6312 -4.6312 1.8996 1.8996 1.8996 1.8996 1.9699 1.9699 1.9699 1.9699 2.0390 2.0390 2.0390 2.0390 3.4912 3.4912 3.4912 3.4912 4.6273 4.6273 4.6273 4.6273 5.2125 5.2125 5.2125 5.2125 10.3786 10.3786 10.3786 10.3786 11.1473 11.1473 11.1473 11.1473 11.3795 11.3795 k = 0.0000 0.5000 0.2338 ( 6956 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1867 -7.1867 -7.1867 -7.1867 -5.7819 -5.7819 -5.7819 -5.7819 -5.1292 -5.1292 -5.1292 -5.1292 -4.6306 -4.6306 -4.6306 -4.6306 1.8991 1.8991 1.8991 1.8991 1.9695 1.9695 1.9695 1.9695 2.0383 2.0383 2.0383 2.0383 3.4853 3.4853 3.4853 3.4853 4.6273 4.6273 4.6273 4.6273 5.2143 5.2143 5.2143 5.2143 10.3943 10.3943 10.3943 10.3943 11.1865 11.1865 11.1865 11.1865 11.4095 11.4095 k = 0.0000 0.5000 0.2484 ( 6960 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1870 -7.1870 -7.1870 -7.1870 -5.7826 -5.7826 -5.7826 -5.7826 -5.1279 -5.1279 -5.1279 -5.1279 -4.6301 -4.6301 -4.6301 -4.6301 1.8987 1.8987 1.8987 1.8987 1.9692 1.9692 1.9692 1.9692 2.0376 2.0376 2.0376 2.0376 3.4806 3.4806 3.4806 3.4806 4.6273 4.6273 4.6273 4.6273 5.2157 5.2157 5.2157 5.2157 10.4072 10.4072 10.4072 10.4072 11.2174 11.2174 11.2174 11.2174 11.4368 11.4368 k = 0.0000 0.5000 0.2630 ( 6952 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1872 -7.1872 -7.1872 -7.1872 -5.7832 -5.7832 -5.7832 -5.7832 -5.1269 -5.1269 -5.1269 -5.1269 -4.6298 -4.6298 -4.6298 -4.6298 1.8984 1.8984 1.8984 1.8984 1.9690 1.9690 1.9690 1.9690 2.0372 2.0372 2.0372 2.0372 3.4771 3.4771 3.4771 3.4771 4.6273 4.6273 4.6273 4.6273 5.2167 5.2167 5.2167 5.2167 10.4167 10.4167 10.4167 10.4167 11.2396 11.2396 11.2396 11.2396 11.4593 11.4593 k = 0.0000 0.5000 0.2777 ( 6944 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1873 -7.1873 -7.1873 -7.1873 -5.7836 -5.7836 -5.7836 -5.7836 -5.1263 -5.1263 -5.1263 -5.1263 -4.6295 -4.6295 -4.6295 -4.6295 1.8982 1.8982 1.8982 1.8982 1.9688 1.9688 1.9688 1.9688 2.0369 2.0369 2.0369 2.0369 3.4750 3.4750 3.4750 3.4750 4.6273 4.6273 4.6273 4.6273 5.2173 5.2173 5.2173 5.2173 10.4226 10.4226 10.4226 10.4226 11.2529 11.2529 11.2529 11.2529 11.4745 11.4745 k = 0.0000 0.5000 0.2923 ( 6948 PWs) bands (ev): -20.5136 -20.5136 -20.5136 -20.5136 -16.4148 -16.4148 -16.4148 -16.4148 -7.1873 -7.1873 -7.1873 -7.1873 -5.7837 -5.7837 -5.7837 -5.7837 -5.1261 -5.1261 -5.1261 -5.1261 -4.6295 -4.6295 -4.6295 -4.6295 1.8981 1.8981 1.8981 1.8981 1.9688 1.9688 1.9688 1.9688 2.0368 2.0368 2.0368 2.0368 3.4743 3.4743 3.4743 3.4743 4.6273 4.6273 4.6273 4.6273 5.2175 5.2175 5.2175 5.2175 10.4246 10.4246 10.4246 10.4246 11.2573 11.2573 11.2573 11.2573 11.4799 11.4799 k = 0.5000 0.5000-0.0000 ( 6940 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1419 -7.1419 -7.1419 -7.1419 -5.3558 -5.3558 -5.3558 -5.3558 -5.2405 -5.2405 -5.2405 -5.2405 -5.0945 -5.0945 -5.0945 -5.0945 1.7745 1.7745 1.7745 1.7745 2.1468 2.1468 2.1468 2.1468 2.3401 2.3401 2.3401 2.3401 3.3503 3.3503 3.3503 3.3503 4.4118 4.4118 4.4118 4.4118 4.9585 4.9585 4.9585 4.9585 10.3895 10.3895 10.3895 10.3895 11.4047 11.4047 11.4047 11.4047 12.5783 12.5783 k = 0.5000 0.5000 0.0146 ( 6948 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1419 -7.1419 -7.1419 -7.1419 -5.3576 -5.3576 -5.3576 -5.3576 -5.2387 -5.2387 -5.2387 -5.2387 -5.0943 -5.0943 -5.0943 -5.0943 1.7739 1.7739 1.7739 1.7739 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3504 3.3504 3.3504 3.3504 4.4116 4.4116 4.4116 4.4116 4.9585 4.9585 4.9585 4.9585 10.3943 10.3943 10.3943 10.3943 11.4038 11.4038 11.4038 11.4038 12.5780 12.5780 k = 0.5000 0.5000 0.0292 ( 6944 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1420 -7.1420 -7.1420 -7.1420 -5.3627 -5.3627 -5.3627 -5.3627 -5.2337 -5.2337 -5.2337 -5.2337 -5.0936 -5.0936 -5.0936 -5.0936 1.7722 1.7722 1.7722 1.7722 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3505 3.3505 3.3505 3.3505 4.4110 4.4110 4.4110 4.4110 4.9582 4.9582 4.9582 4.9582 10.4083 10.4083 10.4083 10.4083 11.4010 11.4010 11.4010 11.4010 12.5769 12.5769 k = 0.5000 0.5000 0.0438 ( 6928 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1422 -7.1422 -7.1422 -7.1422 -5.3702 -5.3702 -5.3702 -5.3702 -5.2264 -5.2264 -5.2264 -5.2264 -5.0925 -5.0925 -5.0925 -5.0925 1.7694 1.7694 1.7694 1.7694 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3506 3.3506 3.3506 3.3506 4.4101 4.4101 4.4101 4.4101 4.9577 4.9577 4.9577 4.9577 10.4317 10.4317 10.4317 10.4317 11.3965 11.3965 11.3965 11.3965 12.5745 12.5745 k = 0.5000 0.5000 0.0585 ( 6928 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1424 -7.1424 -7.1424 -7.1424 -5.3794 -5.3794 -5.3794 -5.3794 -5.2176 -5.2176 -5.2176 -5.2176 -5.0908 -5.0908 -5.0908 -5.0908 1.7656 1.7656 1.7656 1.7656 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3509 3.3509 3.3509 3.3509 4.4088 4.4088 4.4088 4.4088 4.9571 4.9571 4.9571 4.9571 10.4640 10.4640 10.4640 10.4640 11.3905 11.3905 11.3905 11.3905 12.5700 12.5700 k = 0.5000 0.5000 0.0731 ( 6932 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1427 -7.1427 -7.1427 -7.1427 -5.3894 -5.3894 -5.3894 -5.3894 -5.2083 -5.2083 -5.2083 -5.2083 -5.0885 -5.0885 -5.0885 -5.0885 1.7608 1.7608 1.7608 1.7608 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3512 3.3512 3.3512 3.3512 4.4073 4.4073 4.4073 4.4073 4.9563 4.9563 4.9563 4.9563 10.5051 10.5051 10.5051 10.5051 11.3833 11.3833 11.3833 11.3833 12.5629 12.5629 k = 0.5000 0.5000 0.0877 ( 6940 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1431 -7.1431 -7.1431 -7.1431 -5.3998 -5.3998 -5.3998 -5.3998 -5.1989 -5.1989 -5.1989 -5.1989 -5.0857 -5.0857 -5.0857 -5.0857 1.7553 1.7553 1.7553 1.7553 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3515 3.3515 3.3515 3.3515 4.4054 4.4054 4.4054 4.4054 4.9555 4.9555 4.9555 4.9555 10.5545 10.5545 10.5545 10.5545 11.3752 11.3752 11.3752 11.3752 12.5529 12.5529 k = 0.5000 0.5000 0.1023 ( 6956 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1435 -7.1435 -7.1435 -7.1435 -5.4102 -5.4102 -5.4102 -5.4102 -5.1899 -5.1899 -5.1899 -5.1899 -5.0822 -5.0822 -5.0822 -5.0822 1.7491 1.7491 1.7491 1.7491 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3519 3.3519 3.3519 3.3519 4.4034 4.4034 4.4034 4.4034 4.9545 4.9545 4.9545 4.9545 10.6118 10.6118 10.6118 10.6118 11.3665 11.3665 11.3665 11.3665 12.5397 12.5397 k = 0.5000 0.5000 0.1169 ( 6944 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1439 -7.1439 -7.1439 -7.1439 -5.4205 -5.4205 -5.4205 -5.4205 -5.1816 -5.1816 -5.1816 -5.1816 -5.0780 -5.0780 -5.0780 -5.0780 1.7424 1.7424 1.7424 1.7424 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3523 3.3523 3.3523 3.3523 4.4012 4.4012 4.4012 4.4012 4.9535 4.9535 4.9535 4.9535 10.6764 10.6764 10.6764 10.6764 11.3575 11.3575 11.3575 11.3575 12.5230 12.5230 k = 0.5000 0.5000 0.1315 ( 6960 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1444 -7.1444 -7.1444 -7.1444 -5.4303 -5.4303 -5.4303 -5.4303 -5.1742 -5.1742 -5.1742 -5.1742 -5.0732 -5.0732 -5.0732 -5.0732 1.7353 1.7353 1.7353 1.7353 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3527 3.3527 3.3527 3.3527 4.3989 4.3989 4.3989 4.3989 4.9525 4.9525 4.9525 4.9525 10.7476 10.7476 10.7476 10.7476 11.3485 11.3485 11.3485 11.3485 12.5026 12.5026 k = 0.5000 0.5000 0.1461 ( 6960 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1449 -7.1449 -7.1449 -7.1449 -5.4396 -5.4396 -5.4396 -5.4396 -5.1678 -5.1678 -5.1678 -5.1678 -5.0678 -5.0678 -5.0678 -5.0678 1.7281 1.7281 1.7281 1.7281 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3531 3.3531 3.3531 3.3531 4.3965 4.3965 4.3965 4.3965 4.9514 4.9514 4.9514 4.9514 10.8247 10.8247 10.8247 10.8247 11.3397 11.3397 11.3397 11.3397 12.4781 12.4781 k = 0.5000 0.5000 0.1607 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1453 -7.1453 -7.1453 -7.1453 -5.4482 -5.4482 -5.4482 -5.4482 -5.1624 -5.1624 -5.1624 -5.1624 -5.0621 -5.0621 -5.0621 -5.0621 1.7209 1.7209 1.7209 1.7209 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3535 3.3535 3.3535 3.3535 4.3942 4.3942 4.3942 4.3942 4.9504 4.9504 4.9504 4.9504 10.9066 10.9066 10.9066 10.9066 11.3316 11.3316 11.3316 11.3316 12.4493 12.4493 k = 0.5000 0.5000 0.1754 ( 6948 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1458 -7.1458 -7.1458 -7.1458 -5.4561 -5.4561 -5.4561 -5.4561 -5.1580 -5.1580 -5.1580 -5.1580 -5.0563 -5.0563 -5.0563 -5.0563 1.7139 1.7139 1.7139 1.7139 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3540 3.3540 3.3540 3.3540 4.3919 4.3919 4.3919 4.3919 4.9495 4.9495 4.9495 4.9495 10.9923 10.9923 10.9923 10.9923 11.3244 11.3244 11.3244 11.3244 12.4159 12.4159 k = 0.5000 0.5000 0.1900 ( 6948 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1462 -7.1462 -7.1462 -7.1462 -5.4632 -5.4632 -5.4632 -5.4632 -5.1544 -5.1544 -5.1544 -5.1544 -5.0505 -5.0505 -5.0505 -5.0505 1.7072 1.7072 1.7072 1.7072 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3543 3.3543 3.3543 3.3543 4.3897 4.3897 4.3897 4.3897 4.9486 4.9486 4.9486 4.9486 11.0800 11.0800 11.0800 11.0800 11.3186 11.3186 11.3186 11.3186 12.3779 12.3779 k = 0.5000 0.5000 0.2046 ( 6960 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1466 -7.1466 -7.1466 -7.1466 -5.4695 -5.4695 -5.4695 -5.4695 -5.1515 -5.1515 -5.1515 -5.1515 -5.0450 -5.0450 -5.0450 -5.0450 1.7011 1.7011 1.7011 1.7011 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3547 3.3547 3.3547 3.3547 4.3878 4.3878 4.3878 4.3878 4.9478 4.9478 4.9478 4.9478 11.1669 11.1669 11.1669 11.1669 11.3159 11.3159 11.3159 11.3159 12.3352 12.3352 k = 0.5000 0.5000 0.2192 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1470 -7.1470 -7.1470 -7.1470 -5.4749 -5.4749 -5.4749 -5.4749 -5.1493 -5.1493 -5.1493 -5.1493 -5.0400 -5.0400 -5.0400 -5.0400 1.6956 1.6956 1.6956 1.6956 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3550 3.3550 3.3550 3.3550 4.3860 4.3860 4.3860 4.3860 4.9471 4.9471 4.9471 4.9471 11.2433 11.2433 11.2433 11.2433 11.3240 11.3240 11.3240 11.3240 12.2885 12.2885 k = 0.5000 0.5000 0.2338 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1473 -7.1473 -7.1473 -7.1473 -5.4793 -5.4793 -5.4793 -5.4793 -5.1476 -5.1476 -5.1476 -5.1476 -5.0357 -5.0357 -5.0357 -5.0357 1.6909 1.6909 1.6909 1.6909 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3553 3.3553 3.3553 3.3553 4.3845 4.3845 4.3845 4.3845 4.9465 4.9465 4.9465 4.9465 11.2780 11.2780 11.2780 11.2780 11.3717 11.3717 11.3717 11.3717 12.2388 12.2388 k = 0.5000 0.5000 0.2484 ( 6968 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1475 -7.1475 -7.1475 -7.1475 -5.4828 -5.4828 -5.4828 -5.4828 -5.1463 -5.1463 -5.1463 -5.1463 -5.0322 -5.0322 -5.0322 -5.0322 1.6872 1.6872 1.6872 1.6872 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3555 3.3555 3.3555 3.3555 4.3833 4.3833 4.3833 4.3833 4.9461 4.9461 4.9461 4.9461 11.2831 11.2831 11.2831 11.2831 11.4436 11.4436 11.4436 11.4436 12.1888 12.1888 k = 0.5000 0.5000 0.2630 ( 6968 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1477 -7.1477 -7.1477 -7.1477 -5.4853 -5.4853 -5.4853 -5.4853 -5.1454 -5.1454 -5.1454 -5.1454 -5.0296 -5.0296 -5.0296 -5.0296 1.6844 1.6844 1.6844 1.6844 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3557 3.3557 3.3557 3.3557 4.3825 4.3825 4.3825 4.3825 4.9457 4.9457 4.9457 4.9457 11.2831 11.2831 11.2831 11.2831 11.5093 11.5093 11.5093 11.5093 12.1429 12.1429 k = 0.5000 0.5000 0.2777 ( 6968 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1478 -7.1478 -7.1478 -7.1478 -5.4868 -5.4868 -5.4868 -5.4868 -5.1449 -5.1449 -5.1449 -5.1449 -5.0280 -5.0280 -5.0280 -5.0280 1.6827 1.6827 1.6827 1.6827 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3557 3.3557 3.3557 3.3557 4.3819 4.3819 4.3819 4.3819 4.9455 4.9455 4.9455 4.9455 11.2826 11.2826 11.2826 11.2826 11.5563 11.5563 11.5563 11.5563 12.1088 12.1088 k = 0.5000 0.5000 0.2923 ( 6976 PWs) bands (ev): -20.4812 -20.4812 -20.4812 -20.4812 -16.4776 -16.4776 -16.4776 -16.4776 -7.1479 -7.1479 -7.1479 -7.1479 -5.4873 -5.4873 -5.4873 -5.4873 -5.1448 -5.1448 -5.1448 -5.1448 -5.0275 -5.0275 -5.0275 -5.0275 1.6822 1.6822 1.6822 1.6822 2.1467 2.1467 2.1467 2.1467 2.3401 2.3401 2.3401 2.3401 3.3558 3.3558 3.3558 3.3558 4.3817 4.3817 4.3817 4.3817 4.9455 4.9455 4.9455 4.9455 11.2823 11.2823 11.2823 11.2823 11.5736 11.5736 11.5736 11.5736 12.0958 12.0958 Writing output data file BaIF.save init_run : 0.42s CPU 0.58s WALL ( 1 calls) electrons : 191.71s CPU 194.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 191.70s CPU 194.55s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.13s WALL ( 301 calls) cegterg : 178.40s CPU 180.61s WALL ( 411 calls) Called by sum_band: Called by *egterg: h_psi : 89.38s CPU 90.92s WALL ( 7252 calls) s_psi : 7.66s CPU 7.74s WALL ( 7252 calls) g_psi : 0.42s CPU 0.40s WALL ( 6540 calls) cdiaghg : 63.70s CPU 63.98s WALL ( 6841 calls) cegterg:over : 9.90s CPU 9.93s WALL ( 6540 calls) cegterg:upda : 9.30s CPU 9.77s WALL ( 6540 calls) cegterg:last : 4.30s CPU 4.29s WALL ( 1013 calls) cdiaghg:chol : 3.65s CPU 3.68s WALL ( 6841 calls) cdiaghg:inve : 2.47s CPU 2.59s WALL ( 6841 calls) cdiaghg:para : 4.03s CPU 4.16s WALL ( 13682 calls) Called by h_psi: h_psi:vloc : 72.42s CPU 74.00s WALL ( 7252 calls) h_psi:vnl : 16.55s CPU 16.53s WALL ( 7252 calls) add_vuspsi : 8.57s CPU 8.57s WALL ( 7252 calls) General routines calbec : 7.96s CPU 7.94s WALL ( 7252 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 67.34s CPU 68.70s WALL ( 781040 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.33s WALL ( 602 calls) Parallel routines fft_scatter : 26.72s CPU 27.45s WALL ( 781063 calls) PWSCF : 3m34.27s CPU 3m52.40s WALL This run was terminated on: 11:22:13 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=