Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:28:37 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./PH2C3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 37 10 2520 1057 160 Max 67 38 11 2525 1074 163 Sum 4767 2683 759 181587 76689 11597 bravais-lattice index = 14 lattice parameter (alat) = 13.7389 a.u. unit-cell volume = 1817.6182 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.738934 celldm(2)= 1.000000 celldm(3)= 0.722814 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.244481 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.244481 0.969654 0.000000 ) a(3) = ( 0.000000 0.000000 0.722814 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.252133 -0.000000 ) b(2) = ( 0.000000 1.031296 -0.000000 ) b(3) = ( 0.000000 0.000000 1.383481 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3614072 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3614072 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0138543 0.0177810 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0277085 0.0355619 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0415628 0.0533429 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0554171 0.0711238 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0692713 0.0889048 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0831256 0.1066858 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0969799 0.1244667 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1108341 0.1422477 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1246884 0.1600287 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1385427 0.1778096 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1523969 0.1955906 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1662512 0.2133715 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1801055 0.2311525 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1939597 0.2489335 -0.0000000), wk = 0.0033784 k( 16) = ( 0.2078140 0.2667144 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2216683 0.2844954 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2355225 0.3022763 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2493768 0.3200573 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2632311 0.3378383 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2770854 0.3556192 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2909396 0.3734002 -0.0000000), wk = 0.0033784 k( 23) = ( 0.3047939 0.3911811 -0.0000000), wk = 0.0033784 k( 24) = ( 0.3186482 0.4089621 -0.0000000), wk = 0.0033784 k( 25) = ( 0.3325024 0.4267431 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3463567 0.4445240 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3602110 0.4623050 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3740652 0.4800859 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3879195 0.4978669 -0.0000000), wk = 0.0033784 k( 30) = ( 0.4017738 0.5156479 -0.0000000), wk = 0.0033784 k( 31) = ( 0.4017738 0.5156479 -0.0000000), wk = 0.0033784 k( 32) = ( 0.3794530 0.5156479 -0.0000000), wk = 0.0033784 k( 33) = ( 0.3571322 0.5156479 -0.0000000), wk = 0.0033784 k( 34) = ( 0.3348115 0.5156479 -0.0000000), wk = 0.0033784 k( 35) = ( 0.3124907 0.5156479 -0.0000000), wk = 0.0033784 k( 36) = ( 0.2901699 0.5156479 -0.0000000), wk = 0.0033784 k( 37) = ( 0.2678492 0.5156479 -0.0000000), wk = 0.0033784 k( 38) = ( 0.2455284 0.5156479 -0.0000000), wk = 0.0033784 k( 39) = ( 0.2232076 0.5156479 -0.0000000), wk = 0.0033784 k( 40) = ( 0.2008869 0.5156479 -0.0000000), wk = 0.0033784 k( 41) = ( 0.1785661 0.5156479 -0.0000000), wk = 0.0033784 k( 42) = ( 0.1562454 0.5156479 -0.0000000), wk = 0.0033784 k( 43) = ( 0.1339246 0.5156479 -0.0000000), wk = 0.0033784 k( 44) = ( 0.1116038 0.5156479 -0.0000000), wk = 0.0033784 k( 45) = ( 0.0892831 0.5156479 -0.0000000), wk = 0.0033784 k( 46) = ( 0.0669623 0.5156479 -0.0000000), wk = 0.0033784 k( 47) = ( 0.0446415 0.5156479 -0.0000000), wk = 0.0033784 k( 48) = ( 0.0223208 0.5156479 -0.0000000), wk = 0.0033784 k( 49) = ( 0.0000000 0.5156479 -0.0000000), wk = 0.0033784 k( 50) = ( 0.0000000 0.5156479 -0.0000000), wk = 0.0033784 k( 51) = ( 0.0000000 0.5156479 0.0230580), wk = 0.0033784 k( 52) = ( 0.0000000 0.5156479 0.0461160), wk = 0.0033784 k( 53) = ( 0.0000000 0.5156479 0.0691741), wk = 0.0033784 k( 54) = ( 0.0000000 0.5156479 0.0922321), wk = 0.0033784 k( 55) = ( 0.0000000 0.5156479 0.1152901), wk = 0.0033784 k( 56) = ( 0.0000000 0.5156479 0.1383481), wk = 0.0033784 k( 57) = ( 0.0000000 0.5156479 0.1614061), wk = 0.0033784 k( 58) = ( 0.0000000 0.5156479 0.1844641), wk = 0.0033784 k( 59) = ( 0.0000000 0.5156479 0.2075222), wk = 0.0033784 k( 60) = ( 0.0000000 0.5156479 0.2305802), wk = 0.0033784 k( 61) = ( 0.0000000 0.5156479 0.2536382), wk = 0.0033784 k( 62) = ( 0.0000000 0.5156479 0.2766962), wk = 0.0033784 k( 63) = ( 0.0000000 0.5156479 0.2997542), wk = 0.0033784 k( 64) = ( 0.0000000 0.5156479 0.3228122), wk = 0.0033784 k( 65) = ( 0.0000000 0.5156479 0.3458703), wk = 0.0033784 k( 66) = ( 0.0000000 0.5156479 0.3689283), wk = 0.0033784 k( 67) = ( 0.0000000 0.5156479 0.3919863), wk = 0.0033784 k( 68) = ( 0.0000000 0.5156479 0.4150443), wk = 0.0033784 k( 69) = ( 0.0000000 0.5156479 0.4381023), wk = 0.0033784 k( 70) = ( 0.0000000 0.5156479 0.4611603), wk = 0.0033784 k( 71) = ( 0.0000000 0.5156479 0.4842184), wk = 0.0033784 k( 72) = ( 0.0000000 0.5156479 0.5072764), wk = 0.0033784 k( 73) = ( 0.0000000 0.5156479 0.5303344), wk = 0.0033784 k( 74) = ( 0.0000000 0.5156479 0.5533924), wk = 0.0033784 k( 75) = ( 0.0000000 0.5156479 0.5764504), wk = 0.0033784 k( 76) = ( 0.0000000 0.5156479 0.5995085), wk = 0.0033784 k( 77) = ( 0.0000000 0.5156479 0.6225665), wk = 0.0033784 k( 78) = ( 0.0000000 0.5156479 0.6456245), wk = 0.0033784 k( 79) = ( 0.0000000 0.5156479 0.6686825), wk = 0.0033784 k( 80) = ( 0.0000000 0.5156479 0.6917405), wk = 0.0033784 k( 81) = ( 0.0000000 0.5156479 0.6917405), wk = 0.0033784 k( 82) = ( 0.0223208 0.5156479 0.6917405), wk = 0.0033784 k( 83) = ( 0.0446415 0.5156479 0.6917405), wk = 0.0033784 k( 84) = ( 0.0669623 0.5156479 0.6917405), wk = 0.0033784 k( 85) = ( 0.0892831 0.5156479 0.6917405), wk = 0.0033784 k( 86) = ( 0.1116038 0.5156479 0.6917405), wk = 0.0033784 k( 87) = ( 0.1339246 0.5156479 0.6917405), wk = 0.0033784 k( 88) = ( 0.1562454 0.5156479 0.6917405), wk = 0.0033784 k( 89) = ( 0.1785661 0.5156479 0.6917405), wk = 0.0033784 k( 90) = ( 0.2008869 0.5156479 0.6917405), wk = 0.0033784 k( 91) = ( 0.2232076 0.5156479 0.6917405), wk = 0.0033784 k( 92) = ( 0.2455284 0.5156479 0.6917405), wk = 0.0033784 k( 93) = ( 0.2678492 0.5156479 0.6917405), wk = 0.0033784 k( 94) = ( 0.2901699 0.5156479 0.6917405), wk = 0.0033784 k( 95) = ( 0.3124907 0.5156479 0.6917405), wk = 0.0033784 k( 96) = ( 0.3348115 0.5156479 0.6917405), wk = 0.0033784 k( 97) = ( 0.3571322 0.5156479 0.6917405), wk = 0.0033784 k( 98) = ( 0.3794530 0.5156479 0.6917405), wk = 0.0033784 k( 99) = ( 0.4017738 0.5156479 0.6917405), wk = 0.0033784 k( 100) = ( 0.4017738 0.5156479 0.6917405), wk = 0.0033784 k( 101) = ( 0.3879195 0.4978669 0.6917405), wk = 0.0033784 k( 102) = ( 0.3740652 0.4800859 0.6917405), wk = 0.0033784 k( 103) = ( 0.3602110 0.4623050 0.6917405), wk = 0.0033784 k( 104) = ( 0.3463567 0.4445240 0.6917405), wk = 0.0033784 k( 105) = ( 0.3325024 0.4267431 0.6917405), wk = 0.0033784 k( 106) = ( 0.3186482 0.4089621 0.6917405), wk = 0.0033784 k( 107) = ( 0.3047939 0.3911811 0.6917405), wk = 0.0033784 k( 108) = ( 0.2909396 0.3734002 0.6917405), wk = 0.0033784 k( 109) = ( 0.2770854 0.3556192 0.6917405), wk = 0.0033784 k( 110) = ( 0.2632311 0.3378383 0.6917405), wk = 0.0033784 k( 111) = ( 0.2493768 0.3200573 0.6917405), wk = 0.0033784 k( 112) = ( 0.2355225 0.3022763 0.6917405), wk = 0.0033784 k( 113) = ( 0.2216683 0.2844954 0.6917405), wk = 0.0033784 k( 114) = ( 0.2078140 0.2667144 0.6917405), wk = 0.0033784 k( 115) = ( 0.1939597 0.2489335 0.6917405), wk = 0.0033784 k( 116) = ( 0.1801055 0.2311525 0.6917405), wk = 0.0033784 k( 117) = ( 0.1662512 0.2133715 0.6917405), wk = 0.0033784 k( 118) = ( 0.1523969 0.1955906 0.6917405), wk = 0.0033784 k( 119) = ( 0.1385427 0.1778096 0.6917405), wk = 0.0033784 k( 120) = ( 0.1246884 0.1600287 0.6917405), wk = 0.0033784 k( 121) = ( 0.1108341 0.1422477 0.6917405), wk = 0.0033784 k( 122) = ( 0.0969799 0.1244667 0.6917405), wk = 0.0033784 k( 123) = ( 0.0831256 0.1066858 0.6917405), wk = 0.0033784 k( 124) = ( 0.0692713 0.0889048 0.6917405), wk = 0.0033784 k( 125) = ( 0.0554171 0.0711238 0.6917405), wk = 0.0033784 k( 126) = ( 0.0415628 0.0533429 0.6917405), wk = 0.0033784 k( 127) = ( 0.0277085 0.0355619 0.6917405), wk = 0.0033784 k( 128) = ( 0.0138543 0.0177810 0.6917405), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.6917405), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.6917405), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.6686825), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.6456245), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.6225665), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.5995085), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.5764504), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.5533924), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5303344), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.5072764), wk = 0.0033784 k( 139) = ( 0.0000000 0.0000000 0.4842184), wk = 0.0033784 k( 140) = ( 0.0000000 0.0000000 0.4611603), wk = 0.0033784 k( 141) = ( 0.0000000 0.0000000 0.4381023), wk = 0.0033784 k( 142) = ( 0.0000000 0.0000000 0.4150443), wk = 0.0033784 k( 143) = ( 0.0000000 0.0000000 0.3919863), wk = 0.0033784 k( 144) = ( 0.0000000 0.0000000 0.3689283), wk = 0.0033784 k( 145) = ( 0.0000000 0.0000000 0.3458703), wk = 0.0033784 k( 146) = ( 0.0000000 0.0000000 0.3228122), wk = 0.0033784 k( 147) = ( 0.0000000 0.0000000 0.2997542), wk = 0.0033784 k( 148) = ( 0.0000000 0.0000000 0.2766962), wk = 0.0033784 k( 149) = ( 0.0000000 0.0000000 0.2536382), wk = 0.0033784 k( 150) = ( 0.0000000 0.0000000 0.2305802), wk = 0.0033784 k( 151) = ( 0.0000000 0.0000000 0.2075222), wk = 0.0033784 k( 152) = ( 0.0000000 0.0000000 0.1844641), wk = 0.0033784 k( 153) = ( 0.0000000 0.0000000 0.1614061), wk = 0.0033784 k( 154) = ( 0.0000000 0.0000000 0.1383481), wk = 0.0033784 k( 155) = ( 0.0000000 0.0000000 0.1152901), wk = 0.0033784 k( 156) = ( 0.0000000 0.0000000 0.0922321), wk = 0.0033784 k( 157) = ( 0.0000000 0.0000000 0.0691741), wk = 0.0033784 k( 158) = ( 0.0000000 0.0000000 0.0461160), wk = 0.0033784 k( 159) = ( 0.0000000 0.0000000 0.0230580), wk = 0.0033784 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 162) = ( -0.0178571 0.0139136 0.0000000), wk = 0.0033784 k( 163) = ( -0.0357143 0.0278273 0.0000000), wk = 0.0033784 k( 164) = ( -0.0535714 0.0417409 0.0000000), wk = 0.0033784 k( 165) = ( -0.0714286 0.0556545 0.0000000), wk = 0.0033784 k( 166) = ( -0.0892857 0.0695681 0.0000000), wk = 0.0033784 k( 167) = ( -0.1071429 0.0834818 0.0000000), wk = 0.0033784 k( 168) = ( -0.1250000 0.0973954 0.0000000), wk = 0.0033784 k( 169) = ( -0.1428571 0.1113090 0.0000000), wk = 0.0033784 k( 170) = ( -0.1607143 0.1252226 0.0000000), wk = 0.0033784 k( 171) = ( -0.1785714 0.1391363 0.0000000), wk = 0.0033784 k( 172) = ( -0.1964286 0.1530499 0.0000000), wk = 0.0033784 k( 173) = ( -0.2142857 0.1669635 0.0000000), wk = 0.0033784 k( 174) = ( -0.2321429 0.1808771 0.0000000), wk = 0.0033784 k( 175) = ( -0.2500000 0.1947908 0.0000000), wk = 0.0033784 k( 176) = ( -0.2678571 0.2087044 0.0000000), wk = 0.0033784 k( 177) = ( -0.2857143 0.2226180 0.0000000), wk = 0.0033784 k( 178) = ( -0.3035714 0.2365316 0.0000000), wk = 0.0033784 k( 179) = ( -0.3214286 0.2504453 0.0000000), wk = 0.0033784 k( 180) = ( -0.3392857 0.2643589 0.0000000), wk = 0.0033784 k( 181) = ( -0.3571429 0.2782725 0.0000000), wk = 0.0033784 k( 182) = ( -0.3750000 0.2921861 0.0000000), wk = 0.0033784 k( 183) = ( -0.3928571 0.3060998 0.0000000), wk = 0.0033784 k( 184) = ( -0.4107143 0.3200134 0.0000000), wk = 0.0033784 k( 185) = ( -0.4285714 0.3339270 0.0000000), wk = 0.0033784 k( 186) = ( -0.4464286 0.3478406 0.0000000), wk = 0.0033784 k( 187) = ( -0.4642857 0.3617543 0.0000000), wk = 0.0033784 k( 188) = ( -0.4821429 0.3756679 0.0000000), wk = 0.0033784 k( 189) = ( -0.5000000 0.3895815 0.0000000), wk = 0.0033784 k( 190) = ( -0.5000000 0.3895815 0.0000000), wk = 0.0033784 k( 191) = ( -0.4859677 0.4075910 -0.0000000), wk = 0.0033784 k( 192) = ( -0.4719354 0.4256005 -0.0000000), wk = 0.0033784 k( 193) = ( -0.4579030 0.4436100 -0.0000000), wk = 0.0033784 k( 194) = ( -0.4438707 0.4616194 -0.0000000), wk = 0.0033784 k( 195) = ( -0.4298384 0.4796289 -0.0000000), wk = 0.0033784 k( 196) = ( -0.4158061 0.4976384 -0.0000000), wk = 0.0033784 k( 197) = ( -0.4017738 0.5156479 -0.0000000), wk = 0.0033784 k( 198) = ( -0.4017738 0.5156479 -0.0000000), wk = 0.0033784 k( 199) = ( -0.4017738 0.5156479 0.0230580), wk = 0.0033784 k( 200) = ( -0.4017738 0.5156479 0.0461160), wk = 0.0033784 k( 201) = ( -0.4017738 0.5156479 0.0691741), wk = 0.0033784 k( 202) = ( -0.4017738 0.5156479 0.0922321), wk = 0.0033784 k( 203) = ( -0.4017738 0.5156479 0.1152901), wk = 0.0033784 k( 204) = ( -0.4017738 0.5156479 0.1383481), wk = 0.0033784 k( 205) = ( -0.4017738 0.5156479 0.1614061), wk = 0.0033784 k( 206) = ( -0.4017738 0.5156479 0.1844641), wk = 0.0033784 k( 207) = ( -0.4017738 0.5156479 0.2075222), wk = 0.0033784 k( 208) = ( -0.4017738 0.5156479 0.2305802), wk = 0.0033784 k( 209) = ( -0.4017738 0.5156479 0.2536382), wk = 0.0033784 k( 210) = ( -0.4017738 0.5156479 0.2766962), wk = 0.0033784 k( 211) = ( -0.4017738 0.5156479 0.2997542), wk = 0.0033784 k( 212) = ( -0.4017738 0.5156479 0.3228122), wk = 0.0033784 k( 213) = ( -0.4017738 0.5156479 0.3458703), wk = 0.0033784 k( 214) = ( -0.4017738 0.5156479 0.3689283), wk = 0.0033784 k( 215) = ( -0.4017738 0.5156479 0.3919863), wk = 0.0033784 k( 216) = ( -0.4017738 0.5156479 0.4150443), wk = 0.0033784 k( 217) = ( -0.4017738 0.5156479 0.4381023), wk = 0.0033784 k( 218) = ( -0.4017738 0.5156479 0.4611603), wk = 0.0033784 k( 219) = ( -0.4017738 0.5156479 0.4842184), wk = 0.0033784 k( 220) = ( -0.4017738 0.5156479 0.5072764), wk = 0.0033784 k( 221) = ( -0.4017738 0.5156479 0.5303344), wk = 0.0033784 k( 222) = ( -0.4017738 0.5156479 0.5533924), wk = 0.0033784 k( 223) = ( -0.4017738 0.5156479 0.5764504), wk = 0.0033784 k( 224) = ( -0.4017738 0.5156479 0.5995085), wk = 0.0033784 k( 225) = ( -0.4017738 0.5156479 0.6225665), wk = 0.0033784 k( 226) = ( -0.4017738 0.5156479 0.6456245), wk = 0.0033784 k( 227) = ( -0.4017738 0.5156479 0.6686825), wk = 0.0033784 k( 228) = ( -0.4017738 0.5156479 0.6917405), wk = 0.0033784 k( 229) = ( -0.4017738 0.5156479 0.6917405), wk = 0.0033784 k( 230) = ( -0.4158061 0.4976384 0.6917405), wk = 0.0033784 k( 231) = ( -0.4298384 0.4796289 0.6917405), wk = 0.0033784 k( 232) = ( -0.4438707 0.4616194 0.6917405), wk = 0.0033784 k( 233) = ( -0.4579030 0.4436100 0.6917405), wk = 0.0033784 k( 234) = ( -0.4719354 0.4256005 0.6917405), wk = 0.0033784 k( 235) = ( -0.4859677 0.4075910 0.6917405), wk = 0.0033784 k( 236) = ( -0.5000000 0.3895815 0.6917405), wk = 0.0033784 k( 237) = ( -0.5000000 0.3895815 0.6917405), wk = 0.0033784 k( 238) = ( -0.5000000 0.3895815 0.6686825), wk = 0.0033784 k( 239) = ( -0.5000000 0.3895815 0.6456245), wk = 0.0033784 k( 240) = ( -0.5000000 0.3895815 0.6225665), wk = 0.0033784 k( 241) = ( -0.5000000 0.3895815 0.5995085), wk = 0.0033784 k( 242) = ( -0.5000000 0.3895815 0.5764504), wk = 0.0033784 k( 243) = ( -0.5000000 0.3895815 0.5533924), wk = 0.0033784 k( 244) = ( -0.5000000 0.3895815 0.5303344), wk = 0.0033784 k( 245) = ( -0.5000000 0.3895815 0.5072764), wk = 0.0033784 k( 246) = ( -0.5000000 0.3895815 0.4842184), wk = 0.0033784 k( 247) = ( -0.5000000 0.3895815 0.4611603), wk = 0.0033784 k( 248) = ( -0.5000000 0.3895815 0.4381023), wk = 0.0033784 k( 249) = ( -0.5000000 0.3895815 0.4150443), wk = 0.0033784 k( 250) = ( -0.5000000 0.3895815 0.3919863), wk = 0.0033784 k( 251) = ( -0.5000000 0.3895815 0.3689283), wk = 0.0033784 k( 252) = ( -0.5000000 0.3895815 0.3458703), wk = 0.0033784 k( 253) = ( -0.5000000 0.3895815 0.3228122), wk = 0.0033784 k( 254) = ( -0.5000000 0.3895815 0.2997542), wk = 0.0033784 k( 255) = ( -0.5000000 0.3895815 0.2766962), wk = 0.0033784 k( 256) = ( -0.5000000 0.3895815 0.2536382), wk = 0.0033784 k( 257) = ( -0.5000000 0.3895815 0.2305802), wk = 0.0033784 k( 258) = ( -0.5000000 0.3895815 0.2075222), wk = 0.0033784 k( 259) = ( -0.5000000 0.3895815 0.1844641), wk = 0.0033784 k( 260) = ( -0.5000000 0.3895815 0.1614061), wk = 0.0033784 k( 261) = ( -0.5000000 0.3895815 0.1383481), wk = 0.0033784 k( 262) = ( -0.5000000 0.3895815 0.1152901), wk = 0.0033784 k( 263) = ( -0.5000000 0.3895815 0.0922321), wk = 0.0033784 k( 264) = ( -0.5000000 0.3895815 0.0691741), wk = 0.0033784 k( 265) = ( -0.5000000 0.3895815 0.0461160), wk = 0.0033784 k( 266) = ( -0.5000000 0.3895815 0.0230580), wk = 0.0033784 k( 267) = ( -0.5000000 0.3895815 0.0000000), wk = 0.0033784 k( 268) = ( 0.0000000 0.0000000 0.6917405), wk = 0.0033784 k( 269) = ( -0.0178571 0.0139136 0.6917405), wk = 0.0033784 k( 270) = ( -0.0357143 0.0278273 0.6917405), wk = 0.0033784 k( 271) = ( -0.0535714 0.0417409 0.6917405), wk = 0.0033784 k( 272) = ( -0.0714286 0.0556545 0.6917405), wk = 0.0033784 k( 273) = ( -0.0892857 0.0695681 0.6917405), wk = 0.0033784 k( 274) = ( -0.1071429 0.0834818 0.6917405), wk = 0.0033784 k( 275) = ( -0.1250000 0.0973954 0.6917405), wk = 0.0033784 k( 276) = ( -0.1428571 0.1113090 0.6917405), wk = 0.0033784 k( 277) = ( -0.1607143 0.1252226 0.6917405), wk = 0.0033784 k( 278) = ( -0.1785714 0.1391363 0.6917405), wk = 0.0033784 k( 279) = ( -0.1964286 0.1530499 0.6917405), wk = 0.0033784 k( 280) = ( -0.2142857 0.1669635 0.6917405), wk = 0.0033784 k( 281) = ( -0.2321429 0.1808771 0.6917405), wk = 0.0033784 k( 282) = ( -0.2500000 0.1947908 0.6917405), wk = 0.0033784 k( 283) = ( -0.2678571 0.2087044 0.6917405), wk = 0.0033784 k( 284) = ( -0.2857143 0.2226180 0.6917405), wk = 0.0033784 k( 285) = ( -0.3035714 0.2365316 0.6917405), wk = 0.0033784 k( 286) = ( -0.3214286 0.2504453 0.6917405), wk = 0.0033784 k( 287) = ( -0.3392857 0.2643589 0.6917405), wk = 0.0033784 k( 288) = ( -0.3571429 0.2782725 0.6917405), wk = 0.0033784 k( 289) = ( -0.3750000 0.2921861 0.6917405), wk = 0.0033784 k( 290) = ( -0.3928571 0.3060998 0.6917405), wk = 0.0033784 k( 291) = ( -0.4107143 0.3200134 0.6917405), wk = 0.0033784 k( 292) = ( -0.4285714 0.3339270 0.6917405), wk = 0.0033784 k( 293) = ( -0.4464286 0.3478406 0.6917405), wk = 0.0033784 k( 294) = ( -0.4642857 0.3617543 0.6917405), wk = 0.0033784 k( 295) = ( -0.4821429 0.3756679 0.6917405), wk = 0.0033784 k( 296) = ( -0.5000000 0.3895815 0.6917405), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0138543 0.0138543 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0277085 0.0277085 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0415628 0.0415628 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0554171 0.0554171 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0692713 0.0692713 0.0000000), wk = 0.0033784 k( 7) = ( 0.0831256 0.0831256 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0969799 0.0969799 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1108341 0.1108341 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1246884 0.1246884 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1385427 0.1385427 0.0000000), wk = 0.0033784 k( 12) = ( 0.1523969 0.1523969 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1662512 0.1662512 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1801055 0.1801055 0.0000000), wk = 0.0033784 k( 15) = ( 0.1939597 0.1939597 -0.0000000), wk = 0.0033784 k( 16) = ( 0.2078140 0.2078140 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2216683 0.2216683 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2355225 0.2355225 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2493768 0.2493768 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2632311 0.2632311 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2770854 0.2770854 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2909396 0.2909396 -0.0000000), wk = 0.0033784 k( 23) = ( 0.3047939 0.3047939 -0.0000000), wk = 0.0033784 k( 24) = ( 0.3186482 0.3186482 -0.0000000), wk = 0.0033784 k( 25) = ( 0.3325024 0.3325024 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3463567 0.3463567 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3602110 0.3602110 0.0000000), wk = 0.0033784 k( 28) = ( 0.3740652 0.3740652 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3879195 0.3879195 0.0000000), wk = 0.0033784 k( 30) = ( 0.4017738 0.4017738 0.0000000), wk = 0.0033784 k( 31) = ( 0.4017738 0.4017738 0.0000000), wk = 0.0033784 k( 32) = ( 0.3794530 0.4072308 -0.0000000), wk = 0.0033784 k( 33) = ( 0.3571322 0.4126878 -0.0000000), wk = 0.0033784 k( 34) = ( 0.3348115 0.4181448 -0.0000000), wk = 0.0033784 k( 35) = ( 0.3124907 0.4236018 -0.0000000), wk = 0.0033784 k( 36) = ( 0.2901699 0.4290588 -0.0000000), wk = 0.0033784 k( 37) = ( 0.2678492 0.4345158 0.0000000), wk = 0.0033784 k( 38) = ( 0.2455284 0.4399728 -0.0000000), wk = 0.0033784 k( 39) = ( 0.2232076 0.4454299 -0.0000000), wk = 0.0033784 k( 40) = ( 0.2008869 0.4508869 -0.0000000), wk = 0.0033784 k( 41) = ( 0.1785661 0.4563439 -0.0000000), wk = 0.0033784 k( 42) = ( 0.1562454 0.4618009 -0.0000000), wk = 0.0033784 k( 43) = ( 0.1339246 0.4672579 -0.0000000), wk = 0.0033784 k( 44) = ( 0.1116038 0.4727149 0.0000000), wk = 0.0033784 k( 45) = ( 0.0892831 0.4781720 -0.0000000), wk = 0.0033784 k( 46) = ( 0.0669623 0.4836290 -0.0000000), wk = 0.0033784 k( 47) = ( 0.0446415 0.4890860 0.0000000), wk = 0.0033784 k( 48) = ( 0.0223208 0.4945430 -0.0000000), wk = 0.0033784 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033784 k( 51) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0033784 k( 52) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0033784 k( 53) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033784 k( 54) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0033784 k( 55) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0033784 k( 56) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033784 k( 57) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0033784 k( 58) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0033784 k( 59) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033784 k( 60) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0033784 k( 61) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0033784 k( 62) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033784 k( 63) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0033784 k( 64) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0033784 k( 65) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033784 k( 66) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0033784 k( 67) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0033784 k( 68) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033784 k( 69) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0033784 k( 70) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0033784 k( 71) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033784 k( 72) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0033784 k( 73) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0033784 k( 74) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033784 k( 75) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0033784 k( 76) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0033784 k( 77) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033784 k( 78) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0033784 k( 79) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0033784 k( 80) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 81) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033784 k( 82) = ( 0.0223208 0.4945430 0.5000000), wk = 0.0033784 k( 83) = ( 0.0446415 0.4890860 0.5000000), wk = 0.0033784 k( 84) = ( 0.0669623 0.4836290 0.5000000), wk = 0.0033784 k( 85) = ( 0.0892831 0.4781720 0.5000000), wk = 0.0033784 k( 86) = ( 0.1116038 0.4727149 0.5000000), wk = 0.0033784 k( 87) = ( 0.1339246 0.4672579 0.5000000), wk = 0.0033784 k( 88) = ( 0.1562454 0.4618009 0.5000000), wk = 0.0033784 k( 89) = ( 0.1785661 0.4563439 0.5000000), wk = 0.0033784 k( 90) = ( 0.2008869 0.4508869 0.5000000), wk = 0.0033784 k( 91) = ( 0.2232076 0.4454299 0.5000000), wk = 0.0033784 k( 92) = ( 0.2455284 0.4399728 0.5000000), wk = 0.0033784 k( 93) = ( 0.2678492 0.4345158 0.5000000), wk = 0.0033784 k( 94) = ( 0.2901699 0.4290588 0.5000000), wk = 0.0033784 k( 95) = ( 0.3124907 0.4236018 0.5000000), wk = 0.0033784 k( 96) = ( 0.3348115 0.4181448 0.5000000), wk = 0.0033784 k( 97) = ( 0.3571322 0.4126878 0.5000000), wk = 0.0033784 k( 98) = ( 0.3794530 0.4072308 0.5000000), wk = 0.0033784 k( 99) = ( 0.4017738 0.4017738 0.5000000), wk = 0.0033784 k( 100) = ( 0.4017738 0.4017738 0.5000000), wk = 0.0033784 k( 101) = ( 0.3879195 0.3879195 0.5000000), wk = 0.0033784 k( 102) = ( 0.3740652 0.3740652 0.5000000), wk = 0.0033784 k( 103) = ( 0.3602110 0.3602110 0.5000000), wk = 0.0033784 k( 104) = ( 0.3463567 0.3463567 0.5000000), wk = 0.0033784 k( 105) = ( 0.3325024 0.3325024 0.5000000), wk = 0.0033784 k( 106) = ( 0.3186482 0.3186482 0.5000000), wk = 0.0033784 k( 107) = ( 0.3047939 0.3047939 0.5000000), wk = 0.0033784 k( 108) = ( 0.2909396 0.2909396 0.5000000), wk = 0.0033784 k( 109) = ( 0.2770854 0.2770854 0.5000000), wk = 0.0033784 k( 110) = ( 0.2632311 0.2632311 0.5000000), wk = 0.0033784 k( 111) = ( 0.2493768 0.2493768 0.5000000), wk = 0.0033784 k( 112) = ( 0.2355225 0.2355225 0.5000000), wk = 0.0033784 k( 113) = ( 0.2216683 0.2216683 0.5000000), wk = 0.0033784 k( 114) = ( 0.2078140 0.2078140 0.5000000), wk = 0.0033784 k( 115) = ( 0.1939597 0.1939597 0.5000000), wk = 0.0033784 k( 116) = ( 0.1801055 0.1801055 0.5000000), wk = 0.0033784 k( 117) = ( 0.1662512 0.1662512 0.5000000), wk = 0.0033784 k( 118) = ( 0.1523969 0.1523969 0.5000000), wk = 0.0033784 k( 119) = ( 0.1385427 0.1385427 0.5000000), wk = 0.0033784 k( 120) = ( 0.1246884 0.1246884 0.5000000), wk = 0.0033784 k( 121) = ( 0.1108341 0.1108341 0.5000000), wk = 0.0033784 k( 122) = ( 0.0969799 0.0969799 0.5000000), wk = 0.0033784 k( 123) = ( 0.0831256 0.0831256 0.5000000), wk = 0.0033784 k( 124) = ( 0.0692713 0.0692713 0.5000000), wk = 0.0033784 k( 125) = ( 0.0554171 0.0554171 0.5000000), wk = 0.0033784 k( 126) = ( 0.0415628 0.0415628 0.5000000), wk = 0.0033784 k( 127) = ( 0.0277085 0.0277085 0.5000000), wk = 0.0033784 k( 128) = ( 0.0138543 0.0138543 0.5000000), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033784 k( 139) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033784 k( 140) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033784 k( 141) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0033784 k( 142) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033784 k( 143) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0033784 k( 144) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033784 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033784 k( 146) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033784 k( 147) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0033784 k( 148) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033784 k( 149) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0033784 k( 150) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033784 k( 151) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033784 k( 152) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033784 k( 153) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0033784 k( 154) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033784 k( 155) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033784 k( 156) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033784 k( 157) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033784 k( 158) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033784 k( 159) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0033784 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 162) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0033784 k( 163) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0033784 k( 164) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0033784 k( 165) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0033784 k( 166) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0033784 k( 167) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0033784 k( 168) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0033784 k( 169) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0033784 k( 170) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0033784 k( 171) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0033784 k( 172) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0033784 k( 173) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0033784 k( 174) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0033784 k( 175) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0033784 k( 176) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0033784 k( 177) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0033784 k( 178) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0033784 k( 179) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0033784 k( 180) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0033784 k( 181) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0033784 k( 182) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0033784 k( 183) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0033784 k( 184) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0033784 k( 185) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0033784 k( 186) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0033784 k( 187) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0033784 k( 188) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0033784 k( 189) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 190) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 191) = ( -0.4859677 0.5140323 0.0000000), wk = 0.0033784 k( 192) = ( -0.4719354 0.5280646 0.0000000), wk = 0.0033784 k( 193) = ( -0.4579030 0.5420970 0.0000000), wk = 0.0033784 k( 194) = ( -0.4438707 0.5561293 -0.0000000), wk = 0.0033784 k( 195) = ( -0.4298384 0.5701616 0.0000000), wk = 0.0033784 k( 196) = ( -0.4158061 0.5841939 -0.0000000), wk = 0.0033784 k( 197) = ( -0.4017738 0.5982262 0.0000000), wk = 0.0033784 k( 198) = ( -0.4017738 0.5982262 0.0000000), wk = 0.0033784 k( 199) = ( -0.4017738 0.5982262 0.0166667), wk = 0.0033784 k( 200) = ( -0.4017738 0.5982262 0.0333333), wk = 0.0033784 k( 201) = ( -0.4017738 0.5982262 0.0500000), wk = 0.0033784 k( 202) = ( -0.4017738 0.5982262 0.0666667), wk = 0.0033784 k( 203) = ( -0.4017738 0.5982262 0.0833333), wk = 0.0033784 k( 204) = ( -0.4017738 0.5982262 0.1000000), wk = 0.0033784 k( 205) = ( -0.4017738 0.5982262 0.1166667), wk = 0.0033784 k( 206) = ( -0.4017738 0.5982262 0.1333333), wk = 0.0033784 k( 207) = ( -0.4017738 0.5982262 0.1500000), wk = 0.0033784 k( 208) = ( -0.4017738 0.5982262 0.1666667), wk = 0.0033784 k( 209) = ( -0.4017738 0.5982262 0.1833333), wk = 0.0033784 k( 210) = ( -0.4017738 0.5982262 0.2000000), wk = 0.0033784 k( 211) = ( -0.4017738 0.5982262 0.2166667), wk = 0.0033784 k( 212) = ( -0.4017738 0.5982262 0.2333333), wk = 0.0033784 k( 213) = ( -0.4017738 0.5982262 0.2500000), wk = 0.0033784 k( 214) = ( -0.4017738 0.5982262 0.2666667), wk = 0.0033784 k( 215) = ( -0.4017738 0.5982262 0.2833333), wk = 0.0033784 k( 216) = ( -0.4017738 0.5982262 0.3000000), wk = 0.0033784 k( 217) = ( -0.4017738 0.5982262 0.3166667), wk = 0.0033784 k( 218) = ( -0.4017738 0.5982262 0.3333333), wk = 0.0033784 k( 219) = ( -0.4017738 0.5982262 0.3500000), wk = 0.0033784 k( 220) = ( -0.4017738 0.5982262 0.3666667), wk = 0.0033784 k( 221) = ( -0.4017738 0.5982262 0.3833333), wk = 0.0033784 k( 222) = ( -0.4017738 0.5982262 0.4000000), wk = 0.0033784 k( 223) = ( -0.4017738 0.5982262 0.4166667), wk = 0.0033784 k( 224) = ( -0.4017738 0.5982262 0.4333333), wk = 0.0033784 k( 225) = ( -0.4017738 0.5982262 0.4500000), wk = 0.0033784 k( 226) = ( -0.4017738 0.5982262 0.4666667), wk = 0.0033784 k( 227) = ( -0.4017738 0.5982262 0.4833333), wk = 0.0033784 k( 228) = ( -0.4017738 0.5982262 0.5000000), wk = 0.0033784 k( 229) = ( -0.4017738 0.5982262 0.5000000), wk = 0.0033784 k( 230) = ( -0.4158061 0.5841939 0.5000000), wk = 0.0033784 k( 231) = ( -0.4298384 0.5701616 0.5000000), wk = 0.0033784 k( 232) = ( -0.4438707 0.5561293 0.5000000), wk = 0.0033784 k( 233) = ( -0.4579030 0.5420970 0.5000000), wk = 0.0033784 k( 234) = ( -0.4719354 0.5280646 0.5000000), wk = 0.0033784 k( 235) = ( -0.4859677 0.5140323 0.5000000), wk = 0.0033784 k( 236) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 237) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 238) = ( -0.5000000 0.5000000 0.4833333), wk = 0.0033784 k( 239) = ( -0.5000000 0.5000000 0.4666667), wk = 0.0033784 k( 240) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0033784 k( 241) = ( -0.5000000 0.5000000 0.4333333), wk = 0.0033784 k( 242) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0033784 k( 243) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0033784 k( 244) = ( -0.5000000 0.5000000 0.3833333), wk = 0.0033784 k( 245) = ( -0.5000000 0.5000000 0.3666667), wk = 0.0033784 k( 246) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0033784 k( 247) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0033784 k( 248) = ( -0.5000000 0.5000000 0.3166667), wk = 0.0033784 k( 249) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0033784 k( 250) = ( -0.5000000 0.5000000 0.2833333), wk = 0.0033784 k( 251) = ( -0.5000000 0.5000000 0.2666667), wk = 0.0033784 k( 252) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0033784 k( 253) = ( -0.5000000 0.5000000 0.2333333), wk = 0.0033784 k( 254) = ( -0.5000000 0.5000000 0.2166667), wk = 0.0033784 k( 255) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0033784 k( 256) = ( -0.5000000 0.5000000 0.1833333), wk = 0.0033784 k( 257) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0033784 k( 258) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0033784 k( 259) = ( -0.5000000 0.5000000 0.1333333), wk = 0.0033784 k( 260) = ( -0.5000000 0.5000000 0.1166667), wk = 0.0033784 k( 261) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0033784 k( 262) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0033784 k( 263) = ( -0.5000000 0.5000000 0.0666667), wk = 0.0033784 k( 264) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0033784 k( 265) = ( -0.5000000 0.5000000 0.0333333), wk = 0.0033784 k( 266) = ( -0.5000000 0.5000000 0.0166667), wk = 0.0033784 k( 267) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033784 k( 268) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 269) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0033784 k( 270) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0033784 k( 271) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0033784 k( 272) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0033784 k( 273) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0033784 k( 274) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0033784 k( 275) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0033784 k( 276) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0033784 k( 277) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0033784 k( 278) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0033784 k( 279) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0033784 k( 280) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0033784 k( 281) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0033784 k( 282) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0033784 k( 283) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0033784 k( 284) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0033784 k( 285) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0033784 k( 286) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0033784 k( 287) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0033784 k( 288) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0033784 k( 289) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0033784 k( 290) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0033784 k( 291) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0033784 k( 292) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0033784 k( 293) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0033784 k( 294) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0033784 k( 295) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0033784 k( 296) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033784 Dense grid: 181587 G-vectors FFT dimensions: ( 80, 80, 60) Smooth grid: 76689 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 272, 46) NL pseudopotentials 0.33 Mb ( 136, 160) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2522) G-vector shells 0.01 Mb ( 1294) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 272, 184) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.22 Mb ( 160, 2, 46) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./PH2C3.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.1 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 17.0 secs Computing kpt #: 16 total cpu time spent up to now is 18.8 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.0 secs Computing kpt #: 18 total cpu time spent up to now is 22.0 secs Computing kpt #: 19 total cpu time spent up to now is 23.9 secs Computing kpt #: 20 total cpu time spent up to now is 24.9 secs Computing kpt #: 21 total cpu time spent up to now is 25.7 secs Computing kpt #: 22 total cpu time spent up to now is 26.4 secs Computing kpt #: 23 total cpu time spent up to now is 27.1 secs Computing kpt #: 24 total cpu time spent up to now is 27.8 secs Computing kpt #: 25 total cpu time spent up to now is 28.5 secs Computing kpt #: 26 total cpu time spent up to now is 29.1 secs Computing kpt #: 27 total cpu time spent up to now is 29.8 secs Computing kpt #: 28 total cpu time spent up to now is 30.5 secs Computing kpt #: 29 total cpu time spent up to now is 31.2 secs Computing kpt #: 30 total cpu time spent up to now is 31.8 secs Computing kpt #: 31 total cpu time spent up to now is 32.6 secs Computing kpt #: 32 total cpu time spent up to now is 33.3 secs Computing kpt #: 33 total cpu time spent up to now is 34.0 secs Computing kpt #: 34 total cpu time spent up to now is 34.7 secs Computing kpt #: 35 total cpu time spent up to now is 35.4 secs Computing kpt #: 36 total cpu time spent up to now is 36.1 secs Computing kpt #: 37 total cpu time spent up to now is 36.8 secs Computing kpt #: 38 total cpu time spent up to now is 37.5 secs Computing kpt #: 39 total cpu time spent up to now is 38.2 secs Computing kpt #: 40 total cpu time spent up to now is 38.8 secs Computing kpt #: 41 total cpu time spent up to now is 39.5 secs Computing kpt #: 42 total cpu time spent up to now is 40.3 secs Computing kpt #: 43 total cpu time spent up to now is 41.1 secs Computing kpt #: 44 total cpu time spent up to now is 41.8 secs Computing kpt #: 45 total cpu time spent up to now is 42.6 secs Computing kpt #: 46 total cpu time spent up to now is 43.5 secs Computing kpt #: 47 total cpu time spent up to now is 44.4 secs Computing kpt #: 48 total cpu time spent up to now is 45.2 secs Computing kpt #: 49 total cpu time spent up to now is 46.0 secs Computing kpt #: 50 total cpu time spent up to now is 46.8 secs Computing kpt #: 51 total cpu time spent up to now is 47.8 secs Computing kpt #: 52 total cpu time spent up to now is 48.6 secs Computing kpt #: 53 total cpu time spent up to now is 49.4 secs Computing kpt #: 54 total cpu time spent up to now is 50.2 secs Computing kpt #: 55 total cpu time spent up to now is 50.9 secs Computing kpt #: 56 total cpu time spent up to now is 51.6 secs Computing kpt #: 57 total cpu time spent up to now is 52.3 secs Computing kpt #: 58 total cpu time spent up to now is 53.0 secs Computing kpt #: 59 total cpu time spent up to now is 53.8 secs Computing kpt #: 60 total cpu time spent up to now is 54.9 secs Computing kpt #: 61 total cpu time spent up to now is 56.4 secs Computing kpt #: 62 total cpu time spent up to now is 57.4 secs Computing kpt #: 63 total cpu time spent up to now is 58.5 secs Computing kpt #: 64 total cpu time spent up to now is 59.6 secs Computing kpt #: 65 total cpu time spent up to now is 60.8 secs Computing kpt #: 66 total cpu time spent up to now is 62.1 secs Computing kpt #: 67 total cpu time spent up to now is 63.3 secs Computing kpt #: 68 total cpu time spent up to now is 64.5 secs Computing kpt #: 69 total cpu time spent up to now is 65.9 secs Computing kpt #: 70 total cpu time spent up to now is 67.0 secs Computing kpt #: 71 total cpu time spent up to now is 67.9 secs Computing kpt #: 72 total cpu time spent up to now is 68.8 secs Computing kpt #: 73 total cpu time spent up to now is 69.6 secs Computing kpt #: 74 total cpu time spent up to now is 70.5 secs Computing kpt #: 75 total cpu time spent up to now is 71.3 secs Computing kpt #: 76 total cpu time spent up to now is 72.1 secs Computing kpt #: 77 total cpu time spent up to now is 73.0 secs Computing kpt #: 78 total cpu time spent up to now is 73.9 secs Computing kpt #: 79 total cpu time spent up to now is 74.8 secs Computing kpt #: 80 total cpu time spent up to now is 75.7 secs Computing kpt #: 81 total cpu time spent up to now is 76.7 secs Computing kpt #: 82 total cpu time spent up to now is 78.2 secs Computing kpt #: 83 total cpu time spent up to now is 79.8 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.1 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.2 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.4 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.7 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.0 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.1 secs Computing kpt #: 92 total cpu time spent up to now is 98.0 secs Computing kpt #: 93 total cpu time spent up to now is 98.9 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.9 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.0 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.2 secs Computing kpt #: 97 total cpu time spent up to now is 106.7 secs Computing kpt #: 98 total cpu time spent up to now is 108.5 secs Computing kpt #: 99 total cpu time spent up to now is 110.4 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.4 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.6 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.7 secs Computing kpt #: 103 total cpu time spent up to now is 118.1 secs Computing kpt #: 104 total cpu time spent up to now is 120.0 secs Computing kpt #: 105 total cpu time spent up to now is 121.3 secs Computing kpt #: 106 total cpu time spent up to now is 122.7 secs Computing kpt #: 107 total cpu time spent up to now is 124.0 secs Computing kpt #: 108 total cpu time spent up to now is 125.2 secs Computing kpt #: 109 total cpu time spent up to now is 126.6 secs Computing kpt #: 110 total cpu time spent up to now is 128.1 secs Computing kpt #: 111 total cpu time spent up to now is 129.5 secs Computing kpt #: 112 total cpu time spent up to now is 130.8 secs Computing kpt #: 113 total cpu time spent up to now is 132.1 secs Computing kpt #: 114 total cpu time spent up to now is 133.5 secs Computing kpt #: 115 total cpu time spent up to now is 135.0 secs Computing kpt #: 116 total cpu time spent up to now is 136.4 secs Computing kpt #: 117 total cpu time spent up to now is 137.7 secs Computing kpt #: 118 total cpu time spent up to now is 139.0 secs Computing kpt #: 119 total cpu time spent up to now is 140.3 secs Computing kpt #: 120 total cpu time spent up to now is 141.6 secs Computing kpt #: 121 total cpu time spent up to now is 142.9 secs Computing kpt #: 122 total cpu time spent up to now is 144.1 secs Computing kpt #: 123 total cpu time spent up to now is 145.4 secs Computing kpt #: 124 total cpu time spent up to now is 146.7 secs Computing kpt #: 125 total cpu time spent up to now is 148.0 secs Computing kpt #: 126 total cpu time spent up to now is 149.3 secs Computing kpt #: 127 total cpu time spent up to now is 150.5 secs Computing kpt #: 128 total cpu time spent up to now is 151.7 secs Computing kpt #: 129 total cpu time spent up to now is 152.9 secs Computing kpt #: 130 total cpu time spent up to now is 154.1 secs Computing kpt #: 131 total cpu time spent up to now is 155.3 secs Computing kpt #: 132 total cpu time spent up to now is 156.3 secs Computing kpt #: 133 total cpu time spent up to now is 157.4 secs Computing kpt #: 134 total cpu time spent up to now is 158.6 secs Computing kpt #: 135 total cpu time spent up to now is 159.9 secs Computing kpt #: 136 total cpu time spent up to now is 161.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 163.9 secs Computing kpt #: 138 total cpu time spent up to now is 165.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.2 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.5 secs Computing kpt #: 141 total cpu time spent up to now is 172.4 secs Computing kpt #: 142 total cpu time spent up to now is 174.4 secs Computing kpt #: 143 total cpu time spent up to now is 176.4 secs Computing kpt #: 144 total cpu time spent up to now is 178.0 secs Computing kpt #: 145 total cpu time spent up to now is 179.9 secs Computing kpt #: 146 total cpu time spent up to now is 181.3 secs Computing kpt #: 147 total cpu time spent up to now is 182.6 secs Computing kpt #: 148 total cpu time spent up to now is 183.8 secs Computing kpt #: 149 total cpu time spent up to now is 185.0 secs Computing kpt #: 150 total cpu time spent up to now is 186.5 secs Computing kpt #: 151 total cpu time spent up to now is 188.0 secs Computing kpt #: 152 total cpu time spent up to now is 189.2 secs Computing kpt #: 153 total cpu time spent up to now is 190.2 secs Computing kpt #: 154 total cpu time spent up to now is 191.3 secs Computing kpt #: 155 total cpu time spent up to now is 192.2 secs Computing kpt #: 156 total cpu time spent up to now is 193.1 secs Computing kpt #: 157 total cpu time spent up to now is 194.0 secs Computing kpt #: 158 total cpu time spent up to now is 194.9 secs Computing kpt #: 159 total cpu time spent up to now is 195.7 secs Computing kpt #: 160 total cpu time spent up to now is 196.5 secs Computing kpt #: 161 total cpu time spent up to now is 197.3 secs Computing kpt #: 162 total cpu time spent up to now is 198.3 secs Computing kpt #: 163 total cpu time spent up to now is 199.2 secs Computing kpt #: 164 total cpu time spent up to now is 200.2 secs Computing kpt #: 165 total cpu time spent up to now is 201.2 secs Computing kpt #: 166 total cpu time spent up to now is 202.0 secs Computing kpt #: 167 total cpu time spent up to now is 202.9 secs Computing kpt #: 168 total cpu time spent up to now is 203.7 secs Computing kpt #: 169 total cpu time spent up to now is 204.7 secs Computing kpt #: 170 total cpu time spent up to now is 205.7 secs Computing kpt #: 171 total cpu time spent up to now is 206.8 secs Computing kpt #: 172 total cpu time spent up to now is 208.3 secs Computing kpt #: 173 total cpu time spent up to now is 209.5 secs Computing kpt #: 174 total cpu time spent up to now is 210.4 secs Computing kpt #: 175 total cpu time spent up to now is 211.5 secs Computing kpt #: 176 total cpu time spent up to now is 212.4 secs Computing kpt #: 177 total cpu time spent up to now is 213.4 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.6 secs Computing kpt #: 179 total cpu time spent up to now is 216.7 secs Computing kpt #: 180 total cpu time spent up to now is 217.7 secs Computing kpt #: 181 total cpu time spent up to now is 218.7 secs Computing kpt #: 182 total cpu time spent up to now is 219.7 secs Computing kpt #: 183 total cpu time spent up to now is 220.7 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.9 secs Computing kpt #: 185 total cpu time spent up to now is 224.1 secs Computing kpt #: 186 total cpu time spent up to now is 225.0 secs Computing kpt #: 187 total cpu time spent up to now is 225.8 secs Computing kpt #: 188 total cpu time spent up to now is 227.0 secs Computing kpt #: 189 total cpu time spent up to now is 227.7 secs Computing kpt #: 190 total cpu time spent up to now is 228.4 secs Computing kpt #: 191 total cpu time spent up to now is 229.1 secs Computing kpt #: 192 total cpu time spent up to now is 229.9 secs Computing kpt #: 193 total cpu time spent up to now is 230.7 secs Computing kpt #: 194 total cpu time spent up to now is 231.7 secs Computing kpt #: 195 total cpu time spent up to now is 232.5 secs Computing kpt #: 196 total cpu time spent up to now is 233.3 secs Computing kpt #: 197 total cpu time spent up to now is 234.0 secs Computing kpt #: 198 total cpu time spent up to now is 234.8 secs Computing kpt #: 199 total cpu time spent up to now is 235.5 secs Computing kpt #: 200 total cpu time spent up to now is 236.3 secs Computing kpt #: 201 total cpu time spent up to now is 237.1 secs Computing kpt #: 202 total cpu time spent up to now is 238.3 secs Computing kpt #: 203 total cpu time spent up to now is 239.5 secs Computing kpt #: 204 total cpu time spent up to now is 240.6 secs Computing kpt #: 205 total cpu time spent up to now is 241.7 secs Computing kpt #: 206 total cpu time spent up to now is 242.8 secs Computing kpt #: 207 total cpu time spent up to now is 243.8 secs Computing kpt #: 208 total cpu time spent up to now is 244.8 secs Computing kpt #: 209 total cpu time spent up to now is 245.9 secs Computing kpt #: 210 total cpu time spent up to now is 247.1 secs Computing kpt #: 211 total cpu time spent up to now is 248.1 secs Computing kpt #: 212 total cpu time spent up to now is 249.1 secs Computing kpt #: 213 total cpu time spent up to now is 250.0 secs Computing kpt #: 214 total cpu time spent up to now is 251.1 secs Computing kpt #: 215 total cpu time spent up to now is 252.3 secs Computing kpt #: 216 total cpu time spent up to now is 253.5 secs Computing kpt #: 217 total cpu time spent up to now is 254.4 secs Computing kpt #: 218 total cpu time spent up to now is 255.4 secs Computing kpt #: 219 total cpu time spent up to now is 256.3 secs Computing kpt #: 220 total cpu time spent up to now is 257.3 secs Computing kpt #: 221 total cpu time spent up to now is 258.1 secs Computing kpt #: 222 total cpu time spent up to now is 258.8 secs Computing kpt #: 223 total cpu time spent up to now is 259.6 secs Computing kpt #: 224 total cpu time spent up to now is 260.3 secs Computing kpt #: 225 total cpu time spent up to now is 261.1 secs Computing kpt #: 226 total cpu time spent up to now is 261.9 secs Computing kpt #: 227 total cpu time spent up to now is 263.0 secs Computing kpt #: 228 total cpu time spent up to now is 264.4 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.5 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 268.6 secs Computing kpt #: 231 total cpu time spent up to now is 270.0 secs Computing kpt #: 232 total cpu time spent up to now is 272.1 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 274.3 secs Computing kpt #: 234 total cpu time spent up to now is 275.7 secs Computing kpt #: 235 total cpu time spent up to now is 276.5 secs Computing kpt #: 236 total cpu time spent up to now is 277.3 secs Computing kpt #: 237 total cpu time spent up to now is 278.2 secs Computing kpt #: 238 total cpu time spent up to now is 279.4 secs Computing kpt #: 239 total cpu time spent up to now is 280.5 secs Computing kpt #: 240 total cpu time spent up to now is 281.4 secs Computing kpt #: 241 total cpu time spent up to now is 282.2 secs Computing kpt #: 242 total cpu time spent up to now is 283.1 secs Computing kpt #: 243 total cpu time spent up to now is 284.0 secs Computing kpt #: 244 total cpu time spent up to now is 284.8 secs Computing kpt #: 245 total cpu time spent up to now is 286.0 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.3 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 290.4 secs Computing kpt #: 248 total cpu time spent up to now is 291.5 secs Computing kpt #: 249 total cpu time spent up to now is 292.6 secs Computing kpt #: 250 total cpu time spent up to now is 293.5 secs Computing kpt #: 251 total cpu time spent up to now is 294.4 secs Computing kpt #: 252 total cpu time spent up to now is 295.4 secs Computing kpt #: 253 total cpu time spent up to now is 296.6 secs Computing kpt #: 254 total cpu time spent up to now is 297.3 secs Computing kpt #: 255 total cpu time spent up to now is 298.5 secs Computing kpt #: 256 total cpu time spent up to now is 299.4 secs Computing kpt #: 257 total cpu time spent up to now is 300.3 secs Computing kpt #: 258 total cpu time spent up to now is 301.1 secs Computing kpt #: 259 total cpu time spent up to now is 301.8 secs Computing kpt #: 260 total cpu time spent up to now is 302.6 secs Computing kpt #: 261 total cpu time spent up to now is 303.4 secs Computing kpt #: 262 total cpu time spent up to now is 304.5 secs Computing kpt #: 263 total cpu time spent up to now is 306.3 secs Computing kpt #: 264 total cpu time spent up to now is 307.4 secs Computing kpt #: 265 total cpu time spent up to now is 308.2 secs Computing kpt #: 266 total cpu time spent up to now is 308.9 secs Computing kpt #: 267 total cpu time spent up to now is 309.7 secs Computing kpt #: 268 total cpu time spent up to now is 310.9 secs Computing kpt #: 269 total cpu time spent up to now is 312.0 secs Computing kpt #: 270 total cpu time spent up to now is 313.1 secs Computing kpt #: 271 total cpu time spent up to now is 314.2 secs Computing kpt #: 272 total cpu time spent up to now is 315.4 secs Computing kpt #: 273 total cpu time spent up to now is 316.5 secs Computing kpt #: 274 total cpu time spent up to now is 317.7 secs Computing kpt #: 275 total cpu time spent up to now is 318.9 secs Computing kpt #: 276 total cpu time spent up to now is 320.0 secs Computing kpt #: 277 total cpu time spent up to now is 321.2 secs Computing kpt #: 278 total cpu time spent up to now is 322.4 secs Computing kpt #: 279 total cpu time spent up to now is 323.5 secs Computing kpt #: 280 total cpu time spent up to now is 324.7 secs Computing kpt #: 281 total cpu time spent up to now is 325.8 secs Computing kpt #: 282 total cpu time spent up to now is 327.0 secs Computing kpt #: 283 total cpu time spent up to now is 328.1 secs Computing kpt #: 284 total cpu time spent up to now is 329.2 secs Computing kpt #: 285 total cpu time spent up to now is 330.1 secs Computing kpt #: 286 total cpu time spent up to now is 331.1 secs Computing kpt #: 287 total cpu time spent up to now is 331.9 secs Computing kpt #: 288 total cpu time spent up to now is 332.6 secs Computing kpt #: 289 total cpu time spent up to now is 333.4 secs Computing kpt #: 290 total cpu time spent up to now is 334.2 secs Computing kpt #: 291 total cpu time spent up to now is 335.0 secs Computing kpt #: 292 total cpu time spent up to now is 335.8 secs Computing kpt #: 293 total cpu time spent up to now is 336.6 secs Computing kpt #: 294 total cpu time spent up to now is 337.4 secs Computing kpt #: 295 total cpu time spent up to now is 338.3 secs Computing kpt #: 296 total cpu time spent up to now is 339.2 secs ethr = 2.63E-08, avg # of iterations = 44.9 total cpu time spent up to now is 339.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9593 PWs) bands (ev): -10.7944 -10.7944 -9.8812 -9.8812 -9.6745 -9.6745 -9.6534 -9.6534 -9.3796 -9.3796 -9.3231 -9.3231 -9.1572 -9.1572 -8.9553 -8.9553 -3.8122 -3.8122 -3.7429 -3.7429 -3.6820 -3.6820 -2.3941 -2.3941 -2.2341 -2.2341 -2.1631 -2.1631 -1.7663 -1.7663 -1.6924 -1.6924 -1.6049 -1.6049 -1.5626 -1.5626 -1.0749 -1.0749 -1.0027 -1.0027 -0.8256 -0.8256 -0.7371 -0.7371 -0.7003 -0.7003 k = 0.0139 0.0178-0.0000 ( 9589 PWs) bands (ev): -10.7936 -10.7936 -9.8824 -9.8824 -9.6918 -9.6918 -9.6363 -9.6363 -9.3794 -9.3794 -9.3224 -9.3224 -9.1567 -9.1567 -8.9561 -8.9561 -3.8139 -3.8139 -3.7423 -3.7423 -3.6798 -3.6798 -2.3931 -2.3931 -2.2384 -2.2384 -2.1626 -2.1626 -1.7651 -1.7651 -1.6938 -1.6938 -1.5992 -1.5992 -1.5618 -1.5618 -1.0754 -1.0754 -1.0034 -1.0034 -0.8227 -0.8227 -0.7379 -0.7379 -0.7015 -0.7015 k = 0.0277 0.0356-0.0000 ( 9599 PWs) bands (ev): -10.7915 -10.7915 -9.8859 -9.8859 -9.7167 -9.7167 -9.6120 -9.6120 -9.3791 -9.3791 -9.3202 -9.3202 -9.1552 -9.1552 -8.9585 -8.9585 -3.8187 -3.8187 -3.7404 -3.7404 -3.6735 -3.6735 -2.3899 -2.3899 -2.2507 -2.2507 -2.1610 -2.1610 -1.7618 -1.7618 -1.6982 -1.6982 -1.5826 -1.5826 -1.5595 -1.5595 -1.0771 -1.0771 -1.0055 -1.0055 -0.8144 -0.8144 -0.7402 -0.7402 -0.7051 -0.7051 k = 0.0416 0.0533-0.0000 ( 9591 PWs) bands (ev): -10.7879 -10.7879 -9.8916 -9.8916 -9.7422 -9.7422 -9.5874 -9.5874 -9.3784 -9.3784 -9.3167 -9.3167 -9.1527 -9.1527 -8.9624 -8.9624 -3.8256 -3.8256 -3.7373 -3.7373 -3.6639 -3.6639 -2.3846 -2.3846 -2.2698 -2.2698 -2.1583 -2.1583 -1.7563 -1.7563 -1.7052 -1.7052 -1.5566 -1.5566 -1.5555 -1.5555 -1.0801 -1.0801 -1.0082 -1.0082 -0.8014 -0.8014 -0.7442 -0.7442 -0.7110 -0.7110 k = 0.0554 0.0711-0.0000 ( 9579 PWs) bands (ev): -10.7829 -10.7829 -9.8994 -9.8994 -9.7680 -9.7680 -9.5630 -9.5630 -9.3775 -9.3775 -9.3120 -9.3120 -9.1492 -9.1492 -8.9679 -8.9679 -3.8337 -3.8337 -3.7329 -3.7329 -3.6521 -3.6521 -2.3772 -2.3772 -2.2941 -2.2941 -2.1546 -2.1546 -1.7491 -1.7491 -1.7146 -1.7146 -1.5504 -1.5504 -1.5220 -1.5220 -1.0847 -1.0847 -1.0110 -1.0110 -0.7846 -0.7846 -0.7496 -0.7496 -0.7194 -0.7193 k = 0.0693 0.0889-0.0000 ( 9579 PWs) bands (ev): -10.7764 -10.7764 -9.9090 -9.9090 -9.7937 -9.7937 -9.5391 -9.5391 -9.3764 -9.3764 -9.3064 -9.3064 -9.1446 -9.1446 -8.9749 -8.9749 -3.8424 -3.8424 -3.7273 -3.7273 -3.6388 -3.6388 -2.3679 -2.3679 -2.3220 -2.3220 -2.1496 -2.1496 -1.7415 -1.7415 -1.7248 -1.7248 -1.5436 -1.5436 -1.4811 -1.4811 -1.0914 -1.0914 -1.0131 -1.0131 -0.7648 -0.7648 -0.7568 -0.7568 -0.7392 -0.7392 k = 0.0831 0.1067-0.0000 ( 9573 PWs) bands (ev): -10.7685 -10.7685 -9.9203 -9.9203 -9.8193 -9.8193 -9.5157 -9.5157 -9.3751 -9.3751 -9.3002 -9.3002 -9.1389 -9.1389 -8.9834 -8.9834 -3.8508 -3.8508 -3.7206 -3.7206 -3.6245 -3.6245 -2.3574 -2.3574 -2.3514 -2.3514 -2.1433 -2.1433 -1.7452 -1.7452 -1.7241 -1.7241 -1.5353 -1.5353 -1.4350 -1.4350 -1.1005 -1.1005 -1.0141 -1.0141 -0.7683 -0.7683 -0.7584 -0.7584 -0.7433 -0.7430 k = 0.0970 0.1245-0.0000 ( 9581 PWs) bands (ev): -10.7593 -10.7593 -9.9330 -9.9330 -9.8446 -9.8446 -9.4930 -9.4930 -9.3735 -9.3735 -9.2937 -9.2937 -9.1322 -9.1322 -8.9934 -8.9934 -3.8588 -3.8588 -3.7128 -3.7128 -3.6095 -3.6095 -2.3842 -2.3842 -2.3428 -2.3428 -2.1358 -2.1358 -1.7602 -1.7602 -1.7126 -1.7126 -1.5258 -1.5258 -1.3848 -1.3848 -1.1125 -1.1125 -1.0139 -1.0139 -0.7855 -0.7855 -0.7694 -0.7694 -0.7580 -0.7580 k = 0.1108 0.1422-0.0000 ( 9575 PWs) bands (ev): -10.7486 -10.7486 -9.9468 -9.9468 -9.8697 -9.8697 -9.4710 -9.4710 -9.3718 -9.3718 -9.2870 -9.2870 -9.1243 -9.1243 -9.0047 -9.0047 -3.8658 -3.8658 -3.7039 -3.7039 -3.5943 -3.5943 -2.4161 -2.4161 -2.3277 -2.3277 -2.1268 -2.1268 -1.7779 -1.7779 -1.6988 -1.6988 -1.5149 -1.5149 -1.3314 -1.3314 -1.1274 -1.1274 -1.0122 -1.0122 -0.8021 -0.8021 -0.7789 -0.7789 -0.7747 -0.7747 k = 0.1247 0.1600-0.0000 ( 9578 PWs) bands (ev): -10.7366 -10.7366 -9.9616 -9.9616 -9.8945 -9.8945 -9.4500 -9.4500 -9.3698 -9.3698 -9.2803 -9.2803 -9.1153 -9.1153 -9.0174 -9.0174 -3.8719 -3.8719 -3.6941 -3.6941 -3.5788 -3.5788 -2.4478 -2.4478 -2.3108 -2.3108 -2.1163 -2.1163 -1.7972 -1.7972 -1.6838 -1.6838 -1.5030 -1.5030 -1.2754 -1.2754 -1.1451 -1.1451 -1.0089 -1.0089 -0.8168 -0.8168 -0.7955 -0.7955 -0.7850 -0.7850 k = 0.1385 0.1778-0.0000 ( 9574 PWs) bands (ev): -10.7233 -10.7233 -9.9771 -9.9771 -9.9188 -9.9188 -9.4299 -9.4299 -9.3676 -9.3676 -9.2738 -9.2738 -9.1054 -9.1054 -9.0312 -9.0312 -3.8766 -3.8766 -3.6835 -3.6835 -3.5634 -3.5634 -2.4787 -2.4787 -2.2922 -2.2922 -2.1043 -2.1043 -1.8176 -1.8176 -1.6683 -1.6683 -1.4899 -1.4899 -1.2176 -1.2176 -1.1651 -1.1651 -1.0041 -1.0041 -0.8307 -0.8307 -0.8166 -0.8166 -0.7904 -0.7904 k = 0.1524 0.1956-0.0000 ( 9574 PWs) bands (ev): -10.7086 -10.7086 -9.9931 -9.9931 -9.9427 -9.9427 -9.4111 -9.4111 -9.3653 -9.3653 -9.2676 -9.2676 -9.0945 -9.0945 -9.0460 -9.0460 -3.8800 -3.8800 -3.6722 -3.6722 -3.5480 -3.5480 -2.5083 -2.5083 -2.2721 -2.2721 -2.0907 -2.0907 -1.8388 -1.8388 -1.6527 -1.6527 -1.4759 -1.4759 -1.1867 -1.1867 -1.1586 -1.1586 -0.9979 -0.9979 -0.8458 -0.8458 -0.8387 -0.8387 -0.7925 -0.7925 k = 0.1663 0.2134-0.0000 ( 9582 PWs) bands (ev): -10.6926 -10.6926 -10.0094 -10.0094 -9.9660 -9.9660 -9.3937 -9.3937 -9.3629 -9.3629 -9.2618 -9.2618 -9.0829 -9.0829 -9.0617 -9.0617 -3.8819 -3.8819 -3.6602 -3.6602 -3.5327 -3.5327 -2.5363 -2.5363 -2.2506 -2.2506 -2.0755 -2.0755 -1.8607 -1.8607 -1.6377 -1.6377 -1.4611 -1.4611 -1.2086 -1.2086 -1.0994 -1.0994 -0.9902 -0.9902 -0.8670 -0.8670 -0.8572 -0.8572 -0.7911 -0.7911 k = 0.1801 0.2312-0.0000 ( 9568 PWs) bands (ev): -10.6755 -10.6755 -10.0260 -10.0260 -9.9887 -9.9887 -9.3780 -9.3780 -9.3603 -9.3603 -9.2563 -9.2563 -9.0779 -9.0779 -9.0707 -9.0707 -3.8823 -3.8823 -3.6478 -3.6478 -3.5177 -3.5177 -2.5623 -2.5623 -2.2280 -2.2280 -2.0586 -2.0586 -1.8828 -1.8828 -1.6238 -1.6238 -1.4458 -1.4458 -1.2299 -1.2299 -1.0416 -1.0416 -0.9811 -0.9811 -0.8926 -0.8926 -0.8735 -0.8735 -0.7866 -0.7866 k = 0.1940 0.2489-0.0000 ( 9568 PWs) bands (ev): -10.6570 -10.6570 -10.0426 -10.0426 -10.0107 -10.0107 -9.3644 -9.3644 -9.3576 -9.3576 -9.2512 -9.2512 -9.0941 -9.0941 -9.0581 -9.0581 -3.8811 -3.8811 -3.6351 -3.6351 -3.5028 -3.5028 -2.5860 -2.5860 -2.2044 -2.2044 -2.0401 -2.0401 -1.9051 -1.9051 -1.6122 -1.6122 -1.4300 -1.4300 -1.2492 -1.2492 -0.9895 -0.9895 -0.9706 -0.9706 -0.9197 -0.9197 -0.8903 -0.8903 -0.7794 -0.7794 k = 0.2078 0.2667-0.0000 ( 9562 PWs) bands (ev): -10.6375 -10.6375 -10.0592 -10.0592 -10.0320 -10.0320 -9.3548 -9.3548 -9.3535 -9.3535 -9.2464 -9.2464 -9.1099 -9.1099 -9.0451 -9.0451 -3.8782 -3.8782 -3.6223 -3.6223 -3.4882 -3.4882 -2.6071 -2.6071 -2.1800 -2.1800 -2.0199 -2.0199 -1.9273 -1.9273 -1.6036 -1.6036 -1.4141 -1.4141 -1.2653 -1.2653 -0.9590 -0.9590 -0.9557 -0.9557 -0.9474 -0.9474 -0.9077 -0.9077 -0.7754 -0.7754 k = 0.2217 0.2845-0.0000 ( 9566 PWs) bands (ev): -10.6168 -10.6168 -10.0756 -10.0756 -10.0525 -10.0525 -9.3520 -9.3520 -9.3461 -9.3461 -9.2419 -9.2419 -9.1244 -9.1244 -9.0320 -9.0320 -3.8738 -3.8738 -3.6096 -3.6096 -3.4738 -3.4738 -2.6253 -2.6253 -2.1551 -2.1551 -1.9982 -1.9982 -1.9493 -1.9493 -1.5992 -1.5992 -1.3984 -1.3984 -1.2769 -1.2769 -0.9755 -0.9755 -0.9613 -0.9613 -0.9462 -0.9462 -0.9252 -0.9252 -0.7638 -0.7637 k = 0.2355 0.3023-0.0000 ( 9566 PWs) bands (ev): -10.5951 -10.5951 -10.0916 -10.0916 -10.0721 -10.0721 -9.3491 -9.3491 -9.3431 -9.3431 -9.2377 -9.2377 -9.1366 -9.1366 -9.0189 -9.0189 -3.8678 -3.8678 -3.5971 -3.5971 -3.4597 -3.4597 -2.6405 -2.6405 -2.1298 -2.1298 -1.9753 -1.9753 -1.9706 -1.9706 -1.5996 -1.5996 -1.3835 -1.3835 -1.2832 -1.2832 -1.0027 -1.0027 -1.0009 -1.0009 -0.9430 -0.9430 -0.9322 -0.9322 -0.7448 -0.7448 k = 0.2494 0.3201-0.0000 ( 9576 PWs) bands (ev): -10.5725 -10.5725 -10.1073 -10.1073 -10.0907 -10.0907 -9.3463 -9.3463 -9.3453 -9.3453 -9.2338 -9.2338 -9.1457 -9.1457 -9.0059 -9.0059 -3.8603 -3.8603 -3.5851 -3.5851 -3.4459 -3.4459 -2.6523 -2.6523 -2.1045 -2.1045 -1.9921 -1.9921 -1.9503 -1.9503 -1.6049 -1.6049 -1.3702 -1.3702 -1.2839 -1.2839 -1.0543 -1.0543 -1.0282 -1.0282 -0.9609 -0.9609 -0.9174 -0.9174 -0.7306 -0.7305 k = 0.2632 0.3378-0.0000 ( 9576 PWs) bands (ev): -10.5490 -10.5490 -10.1226 -10.1226 -10.1082 -10.1082 -9.3533 -9.3533 -9.3434 -9.3434 -9.2301 -9.2301 -9.1510 -9.1510 -8.9931 -8.9931 -3.8513 -3.8513 -3.5738 -3.5738 -3.4325 -3.4325 -2.6606 -2.6606 -2.0795 -2.0795 -2.0125 -2.0125 -1.9244 -1.9244 -1.6147 -1.6147 -1.3595 -1.3595 -1.2793 -1.2793 -1.1130 -1.1130 -1.0508 -1.0508 -0.9787 -0.9787 -0.9015 -0.9015 -0.7621 -0.7621 k = 0.2771 0.3556-0.0000 ( 9582 PWs) bands (ev): -10.5247 -10.5247 -10.1373 -10.1373 -10.1246 -10.1246 -9.3670 -9.3670 -9.3405 -9.3405 -9.2266 -9.2266 -9.1526 -9.1526 -8.9807 -8.9807 -3.8410 -3.8410 -3.5633 -3.5633 -3.4194 -3.4194 -2.6650 -2.6650 -2.0552 -2.0552 -2.0320 -2.0320 -1.8975 -1.8975 -1.6279 -1.6279 -1.3529 -1.3529 -1.2704 -1.2704 -1.1743 -1.1743 -1.0686 -1.0686 -0.9961 -0.9961 -0.8848 -0.8848 -0.7990 -0.7990 k = 0.2909 0.3734-0.0000 ( 9584 PWs) bands (ev): -10.4999 -10.4999 -10.1514 -10.1514 -10.1396 -10.1396 -9.3855 -9.3855 -9.3377 -9.3377 -9.2233 -9.2233 -9.1511 -9.1511 -8.9686 -8.9686 -3.8295 -3.8295 -3.5538 -3.5538 -3.4067 -3.4067 -2.6656 -2.6656 -2.0520 -2.0520 -2.0302 -2.0302 -1.8698 -1.8698 -1.6432 -1.6432 -1.3519 -1.3519 -1.2582 -1.2582 -1.2367 -1.2367 -1.0800 -1.0800 -1.0130 -1.0130 -0.8673 -0.8673 -0.8366 -0.8366 k = 0.3048 0.3912-0.0000 ( 9594 PWs) bands (ev): -10.4748 -10.4748 -10.1649 -10.1649 -10.1532 -10.1532 -9.4080 -9.4080 -9.3350 -9.3350 -9.2202 -9.2202 -9.1475 -9.1475 -8.9571 -8.9571 -3.8169 -3.8169 -3.5455 -3.5455 -3.3944 -3.3944 -2.6623 -2.6623 -2.0697 -2.0697 -2.0076 -2.0076 -1.8421 -1.8421 -1.6592 -1.6592 -1.3579 -1.3579 -1.2998 -1.2998 -1.2438 -1.2438 -1.0833 -1.0833 -1.0291 -1.0291 -0.8741 -0.8741 -0.8490 -0.8490 k = 0.3186 0.4090-0.0000 ( 9582 PWs) bands (ev): -10.4496 -10.4496 -10.1776 -10.1776 -10.1650 -10.1650 -9.4336 -9.4336 -9.3323 -9.3323 -9.2173 -9.2173 -9.1425 -9.1425 -8.9461 -8.9461 -3.8034 -3.8034 -3.5383 -3.5383 -3.3827 -3.3827 -2.6549 -2.6549 -2.0868 -2.0868 -1.9859 -1.9859 -1.8152 -1.8152 -1.6742 -1.6742 -1.3726 -1.3726 -1.3609 -1.3609 -1.2283 -1.2283 -1.0785 -1.0785 -1.0441 -1.0441 -0.9110 -0.9110 -0.8301 -0.8301 k = 0.3325 0.4267-0.0000 ( 9570 PWs) bands (ev): -10.4248 -10.4248 -10.1896 -10.1896 -10.1746 -10.1746 -9.4614 -9.4614 -9.3298 -9.3298 -9.2145 -9.2145 -9.1367 -9.1367 -8.9358 -8.9358 -3.7892 -3.7892 -3.5322 -3.5322 -3.3716 -3.3716 -2.6435 -2.6435 -2.1028 -2.1028 -1.9655 -1.9655 -1.7918 -1.7918 -1.6853 -1.6853 -1.4274 -1.4274 -1.3873 -1.3873 -1.2125 -1.2125 -1.0666 -1.0666 -1.0574 -1.0574 -0.9466 -0.9466 -0.8106 -0.8106 k = 0.3464 0.4445-0.0000 ( 9574 PWs) bands (ev): -10.4010 -10.4010 -10.2007 -10.2007 -10.1816 -10.1816 -9.4909 -9.4909 -9.3274 -9.3274 -9.2120 -9.2120 -9.1307 -9.1307 -8.9261 -8.9261 -3.7745 -3.7745 -3.5274 -3.5274 -3.3611 -3.3611 -2.6282 -2.6282 -2.1178 -2.1178 -1.9466 -1.9466 -1.7768 -1.7768 -1.6871 -1.6871 -1.4899 -1.4899 -1.4094 -1.4094 -1.1973 -1.1973 -1.0696 -1.0696 -1.0480 -1.0480 -0.9804 -0.9804 -0.7907 -0.7907 k = 0.3602 0.4623-0.0000 ( 9592 PWs) bands (ev): -10.3791 -10.3791 -10.2111 -10.2111 -10.1852 -10.1852 -9.5217 -9.5217 -9.3251 -9.3251 -9.2097 -9.2097 -9.1246 -9.1246 -8.9171 -8.9171 -3.7596 -3.7596 -3.5236 -3.5236 -3.3513 -3.3513 -2.6093 -2.6093 -2.1316 -2.1316 -1.9294 -1.9294 -1.7747 -1.7747 -1.6753 -1.6753 -1.5519 -1.5519 -1.4336 -1.4336 -1.1836 -1.1836 -1.0788 -1.0788 -1.0262 -1.0262 -1.0112 -1.0112 -0.7702 -0.7702 k = 0.3741 0.4801-0.0000 ( 9596 PWs) bands (ev): -10.3601 -10.3601 -10.2205 -10.2205 -10.1844 -10.1844 -9.5532 -9.5532 -9.3230 -9.3230 -9.2075 -9.2075 -9.1188 -9.1188 -8.9089 -8.9089 -3.7448 -3.7448 -3.5208 -3.5208 -3.3423 -3.3423 -2.5870 -2.5870 -2.1443 -2.1443 -1.9138 -1.9138 -1.7820 -1.7820 -1.6539 -1.6539 -1.6123 -1.6123 -1.4586 -1.4586 -1.1725 -1.1725 -1.0847 -1.0847 -1.0422 -1.0422 -0.9983 -0.9983 -0.7495 -0.7495 k = 0.3879 0.4979-0.0000 ( 9596 PWs) bands (ev): -10.3451 -10.3451 -10.2291 -10.2291 -10.1783 -10.1783 -9.5852 -9.5852 -9.3211 -9.3211 -9.2056 -9.2056 -9.1134 -9.1134 -8.9015 -8.9015 -3.7303 -3.7303 -3.5188 -3.5188 -3.3341 -3.3341 -2.5616 -2.5616 -2.1557 -2.1557 -1.9000 -1.9000 -1.7929 -1.7929 -1.6741 -1.6741 -1.6259 -1.6259 -1.4836 -1.4836 -1.1649 -1.1649 -1.0865 -1.0865 -1.0686 -1.0686 -0.9694 -0.9694 -0.7285 -0.7285 k = 0.4018 0.5156-0.0000 ( 9594 PWs) bands (ev): -10.3345 -10.3345 -10.2367 -10.2367 -10.1668 -10.1668 -9.6172 -9.6172 -9.3194 -9.3194 -9.2038 -9.2038 -9.1084 -9.1084 -8.8948 -8.8948 -3.7164 -3.7164 -3.5176 -3.5176 -3.3269 -3.3269 -2.5336 -2.5336 -2.1659 -2.1659 -1.8878 -1.8878 -1.8044 -1.8044 -1.7318 -1.7318 -1.5995 -1.5995 -1.5076 -1.5076 -1.1611 -1.1611 -1.0923 -1.0923 -1.0841 -1.0841 -0.9383 -0.9383 -0.7073 -0.7073 k = 0.4018 0.5156-0.0000 ( 9594 PWs) bands (ev): -10.3345 -10.3345 -10.2367 -10.2367 -10.1668 -10.1668 -9.6172 -9.6172 -9.3194 -9.3194 -9.2038 -9.2038 -9.1084 -9.1084 -8.8948 -8.8948 -3.7164 -3.7164 -3.5176 -3.5176 -3.3269 -3.3269 -2.5336 -2.5336 -2.1659 -2.1659 -1.8878 -1.8878 -1.8044 -1.8044 -1.7318 -1.7318 -1.5995 -1.5995 -1.5076 -1.5076 -1.1611 -1.1611 -1.0923 -1.0923 -1.0841 -1.0841 -0.9383 -0.9383 -0.7073 -0.7073 k = 0.3795 0.5156-0.0000 ( 9591 PWs) bands (ev): -10.3432 -10.3432 -10.2333 -10.2333 -10.1699 -10.1699 -9.5977 -9.5977 -9.3207 -9.3207 -9.2051 -9.2051 -9.1114 -9.1114 -8.8988 -8.8988 -3.7250 -3.7250 -3.5187 -3.5187 -3.3318 -3.3318 -2.5511 -2.5511 -2.1582 -2.1582 -1.8997 -1.8997 -1.7957 -1.7957 -1.6967 -1.6967 -1.6152 -1.6152 -1.4918 -1.4918 -1.1635 -1.1635 -1.0881 -1.0881 -1.0731 -1.0731 -0.9584 -0.9584 -0.7212 -0.7212 k = 0.3571 0.5156-0.0000 ( 9590 PWs) bands (ev): -10.3563 -10.3563 -10.2371 -10.2371 -10.1596 -10.1596 -9.5781 -9.5781 -9.3227 -9.3227 -9.2068 -9.2068 -9.1143 -9.1143 -8.9033 -8.9033 -3.7343 -3.7343 -3.5208 -3.5208 -3.3380 -3.3380 -2.5681 -2.5681 -2.1470 -2.1470 -1.9194 -1.9194 -1.7847 -1.7847 -1.6616 -1.6616 -1.6293 -1.6293 -1.4739 -1.4739 -1.1675 -1.1675 -1.0825 -1.0825 -1.0559 -1.0559 -0.9795 -0.9795 -0.7370 -0.7370 k = 0.3348 0.5156-0.0000 ( 9585 PWs) bands (ev): -10.3710 -10.3710 -10.2473 -10.2473 -10.1393 -10.1393 -9.5587 -9.5587 -9.3254 -9.3254 -9.2091 -9.2091 -9.1170 -9.1170 -8.9083 -8.9083 -3.7441 -3.7441 -3.5237 -3.5237 -3.3452 -3.3452 -2.5846 -2.5846 -2.1322 -2.1322 -1.9442 -1.9442 -1.7732 -1.7732 -1.6464 -1.6464 -1.6218 -1.6218 -1.4555 -1.4555 -1.1718 -1.1718 -1.0710 -1.0710 -1.0389 -1.0389 -1.0005 -1.0005 -0.7547 -0.7547 k = 0.3125 0.5156-0.0000 ( 9592 PWs) bands (ev): -10.3861 -10.3861 -10.2598 -10.2598 -10.1143 -10.1143 -9.5397 -9.5397 -9.3288 -9.3288 -9.2119 -9.2119 -9.1193 -9.1193 -8.9138 -8.9138 -3.7544 -3.7544 -3.5274 -3.5274 -3.3533 -3.3533 -2.6004 -2.6004 -2.1140 -2.1140 -1.9719 -1.9719 -1.7622 -1.7622 -1.6574 -1.6574 -1.5866 -1.5866 -1.4378 -1.4378 -1.1754 -1.1754 -1.0561 -1.0560 -1.0244 -1.0244 -1.0176 -1.0176 -0.7744 -0.7744 k = 0.2902 0.5156-0.0000 ( 9591 PWs) bands (ev): -10.4009 -10.4009 -10.2729 -10.2729 -10.0872 -10.0872 -9.5213 -9.5213 -9.3331 -9.3331 -9.2152 -9.2152 -9.1209 -9.1209 -8.9199 -8.9199 -3.7648 -3.7648 -3.5317 -3.5317 -3.3620 -3.3620 -2.6156 -2.6156 -2.0927 -2.0927 -2.0011 -2.0011 -1.7528 -1.7528 -1.6677 -1.6677 -1.5507 -1.5507 -1.4219 -1.4219 -1.1778 -1.1778 -1.0507 -1.0507 -1.0255 -1.0255 -1.0047 -1.0047 -0.7959 -0.7959 k = 0.2678 0.5156-0.0000 ( 9592 PWs) bands (ev): -10.4150 -10.4150 -10.2857 -10.2857 -10.0591 -10.0591 -9.5039 -9.5039 -9.3381 -9.3381 -9.2187 -9.2187 -9.1217 -9.1217 -8.9265 -8.9265 -3.7753 -3.7753 -3.5363 -3.5363 -3.3710 -3.3710 -2.6301 -2.6301 -2.0688 -2.0688 -2.0306 -2.0306 -1.7456 -1.7456 -1.6757 -1.6757 -1.5153 -1.5153 -1.4088 -1.4088 -1.1789 -1.1789 -1.0641 -1.0641 -1.0084 -1.0084 -0.9868 -0.9868 -0.8188 -0.8188 k = 0.2455 0.5156-0.0000 ( 9591 PWs) bands (ev): -10.4284 -10.4284 -10.2980 -10.2980 -10.0305 -10.0305 -9.4880 -9.4880 -9.3437 -9.3437 -9.2224 -9.2224 -9.1215 -9.1215 -8.9338 -8.9338 -3.7857 -3.7857 -3.5412 -3.5412 -3.3800 -3.3800 -2.6437 -2.6437 -2.0613 -2.0613 -2.0410 -2.0410 -1.7414 -1.7414 -1.6806 -1.6806 -1.4812 -1.4812 -1.3992 -1.3992 -1.1786 -1.1786 -1.0775 -1.0775 -0.9909 -0.9909 -0.9647 -0.9647 -0.8428 -0.8428 k = 0.2232 0.5156-0.0000 ( 9596 PWs) bands (ev): -10.4408 -10.4408 -10.3094 -10.3094 -10.0019 -10.0019 -9.4740 -9.4740 -9.3496 -9.3496 -9.2262 -9.2262 -9.1202 -9.1202 -8.9416 -8.9416 -3.7958 -3.7958 -3.5462 -3.5462 -3.3890 -3.3890 -2.6563 -2.6563 -2.0893 -2.0893 -2.0129 -2.0129 -1.7406 -1.7406 -1.6820 -1.6820 -1.4490 -1.4490 -1.3939 -1.3939 -1.1772 -1.1772 -1.0872 -1.0872 -0.9769 -0.9769 -0.9382 -0.9382 -0.8671 -0.8671 k = 0.2009 0.5156-0.0000 ( 9595 PWs) bands (ev): -10.4522 -10.4522 -10.3200 -10.3200 -9.9737 -9.9737 -9.4627 -9.4627 -9.3550 -9.3550 -9.2298 -9.2298 -9.1178 -9.1178 -8.9501 -8.9501 -3.8054 -3.8054 -3.5511 -3.5511 -3.3976 -3.3976 -2.6680 -2.6680 -2.1165 -2.1165 -1.9828 -1.9828 -1.7428 -1.7428 -1.6801 -1.6801 -1.4201 -1.4201 -1.3925 -1.3925 -1.1749 -1.1749 -1.0923 -1.0923 -0.9655 -0.9655 -0.9096 -0.9096 -0.8910 -0.8910 k = 0.1786 0.5156-0.0000 ( 9596 PWs) bands (ev): -10.4626 -10.4626 -10.3296 -10.3296 -9.9461 -9.9461 -9.4551 -9.4551 -9.3591 -9.3591 -9.2332 -9.2332 -9.1142 -9.1142 -8.9591 -8.9591 -3.8144 -3.8144 -3.5559 -3.5559 -3.4056 -3.4056 -2.6786 -2.6786 -2.1418 -2.1418 -1.9514 -1.9514 -1.7466 -1.7466 -1.6762 -1.6762 -1.4019 -1.4019 -1.3882 -1.3882 -1.1722 -1.1722 -1.0926 -1.0926 -0.9559 -0.9559 -0.9133 -0.9133 -0.8806 -0.8806 k = 0.1562 0.5156-0.0000 ( 9593 PWs) bands (ev): -10.4718 -10.4718 -10.3381 -10.3381 -9.9195 -9.9195 -9.4521 -9.4521 -9.3610 -9.3610 -9.2362 -9.2362 -9.1094 -9.1094 -8.9687 -8.9687 -3.8228 -3.8228 -3.5604 -3.5604 -3.4131 -3.4131 -2.6881 -2.6881 -2.1650 -2.1650 -1.9196 -1.9196 -1.7511 -1.7511 -1.6712 -1.6712 -1.4059 -1.4059 -1.3700 -1.3700 -1.1695 -1.1695 -1.0888 -1.0888 -0.9478 -0.9478 -0.9327 -0.9327 -0.8523 -0.8523 k = 0.1339 0.5156-0.0000 ( 9592 PWs) bands (ev): -10.4798 -10.4798 -10.3456 -10.3456 -9.8944 -9.8944 -9.4536 -9.4536 -9.3603 -9.3603 -9.2388 -9.2388 -9.1033 -9.1033 -8.9788 -8.9788 -3.8302 -3.8302 -3.5645 -3.5645 -3.4197 -3.4197 -2.6965 -2.6965 -2.1857 -2.1857 -1.8880 -1.8880 -1.7555 -1.7555 -1.6656 -1.6656 -1.4147 -1.4147 -1.3549 -1.3549 -1.1669 -1.1669 -1.0819 -1.0819 -0.9480 -0.9480 -0.9409 -0.9409 -0.8258 -0.8258 k = 0.1116 0.5156-0.0000 ( 9585 PWs) bands (ev): -10.4866 -10.4866 -10.3520 -10.3520 -9.8712 -9.8712 -9.4588 -9.4588 -9.3576 -9.3576 -9.2411 -9.2411 -9.0961 -9.0961 -8.9894 -8.9894 -3.8367 -3.8367 -3.5681 -3.5681 -3.4255 -3.4255 -2.7036 -2.7036 -2.2036 -2.2036 -1.8576 -1.8576 -1.7595 -1.7595 -1.6600 -1.6600 -1.4250 -1.4250 -1.3458 -1.3458 -1.1646 -1.1646 -1.0733 -1.0733 -0.9582 -0.9582 -0.9353 -0.9353 -0.8017 -0.8017 k = 0.0893 0.5156-0.0000 ( 9591 PWs) bands (ev): -10.4922 -10.4922 -10.3573 -10.3573 -9.8505 -9.8505 -9.4661 -9.4661 -9.3541 -9.3541 -9.2429 -9.2429 -9.0879 -9.0879 -9.0004 -9.0004 -3.8422 -3.8422 -3.5712 -3.5712 -3.4303 -3.4303 -2.7095 -2.7095 -2.2186 -2.2186 -1.8295 -1.8295 -1.7628 -1.7628 -1.6546 -1.6546 -1.4354 -1.4354 -1.3428 -1.3428 -1.1627 -1.1627 -1.0643 -1.0643 -0.9633 -0.9633 -0.9309 -0.9309 -0.7808 -0.7808 k = 0.0670 0.5156-0.0000 ( 9594 PWs) bands (ev): -10.4966 -10.4966 -10.3614 -10.3614 -9.8331 -9.8331 -9.4738 -9.4738 -9.3506 -9.3506 -9.2444 -9.2444 -9.0787 -9.0787 -9.0116 -9.0116 -3.8465 -3.8465 -3.5736 -3.5736 -3.4341 -3.4341 -2.7141 -2.7141 -2.2304 -2.2304 -1.8053 -1.8053 -1.7651 -1.7651 -1.6497 -1.6497 -1.4447 -1.4447 -1.3445 -1.3445 -1.1611 -1.1611 -1.0559 -1.0559 -0.9642 -0.9642 -0.9275 -0.9275 -0.7637 -0.7637 k = 0.0446 0.5156-0.0000 ( 9599 PWs) bands (ev): -10.4998 -10.4998 -10.3643 -10.3643 -9.8198 -9.8198 -9.4806 -9.4806 -9.3477 -9.3477 -9.2454 -9.2454 -9.0689 -9.0689 -9.0229 -9.0229 -3.8496 -3.8496 -3.5754 -3.5754 -3.4369 -3.4369 -2.7174 -2.7174 -2.2389 -2.2389 -1.7873 -1.7873 -1.7657 -1.7657 -1.6459 -1.6459 -1.4521 -1.4521 -1.3485 -1.3485 -1.1599 -1.1599 -1.0492 -1.0492 -0.9627 -0.9627 -0.9252 -0.9252 -0.7511 -0.7511 k = 0.0223 0.5156-0.0000 ( 9603 PWs) bands (ev): -10.5017 -10.5017 -10.3661 -10.3661 -9.8114 -9.8114 -9.4851 -9.4851 -9.3459 -9.3459 -9.2460 -9.2460 -9.0587 -9.0587 -9.0339 -9.0339 -3.8515 -3.8515 -3.5765 -3.5765 -3.4385 -3.4385 -2.7194 -2.7194 -2.2441 -2.2441 -1.7782 -1.7782 -1.7634 -1.7634 -1.6434 -1.6434 -1.4569 -1.4569 -1.3523 -1.3523 -1.1592 -1.1592 -1.0449 -1.0449 -0.9607 -0.9607 -0.9238 -0.9238 -0.7433 -0.7433 k = 0.0000 0.5156-0.0000 ( 9604 PWs) bands (ev): -10.5023 -10.5023 -10.3667 -10.3667 -9.8085 -9.8085 -9.4868 -9.4868 -9.3453 -9.3453 -9.2462 -9.2462 -9.0516 -9.0516 -9.0413 -9.0413 -3.8522 -3.8522 -3.5768 -3.5768 -3.4391 -3.4391 -2.7200 -2.7200 -2.2458 -2.2458 -1.7763 -1.7763 -1.7614 -1.7614 -1.6426 -1.6426 -1.4585 -1.4585 -1.3539 -1.3539 -1.1589 -1.1589 -1.0434 -1.0434 -0.9599 -0.9599 -0.9233 -0.9233 -0.7406 -0.7406 k = 0.0000 0.5156-0.0000 ( 9604 PWs) bands (ev): -10.5023 -10.5023 -10.3667 -10.3667 -9.8085 -9.8085 -9.4868 -9.4868 -9.3453 -9.3453 -9.2462 -9.2462 -9.0516 -9.0516 -9.0413 -9.0413 -3.8522 -3.8522 -3.5768 -3.5768 -3.4391 -3.4391 -2.7200 -2.7200 -2.2458 -2.2458 -1.7763 -1.7763 -1.7614 -1.7614 -1.6426 -1.6426 -1.4585 -1.4585 -1.3539 -1.3539 -1.1589 -1.1589 -1.0434 -1.0434 -0.9599 -0.9599 -0.9233 -0.9233 -0.7406 -0.7406 k = 0.0000 0.5156 0.0231 ( 9598 PWs) bands (ev): -10.5016 -10.5016 -10.3659 -10.3659 -9.8081 -9.8081 -9.4867 -9.4867 -9.3453 -9.3453 -9.2471 -9.2471 -9.0521 -9.0521 -9.0423 -9.0423 -3.8524 -3.8524 -3.5770 -3.5770 -3.4395 -3.4395 -2.7201 -2.7201 -2.2465 -2.2465 -1.7776 -1.7776 -1.7630 -1.7630 -1.6352 -1.6352 -1.4775 -1.4775 -1.3440 -1.3440 -1.1553 -1.1553 -1.0458 -1.0458 -0.9630 -0.9630 -0.9234 -0.9234 -0.7414 -0.7414 k = 0.0000 0.5156 0.0461 ( 9588 PWs) bands (ev): -10.4994 -10.4994 -10.3637 -10.3637 -9.8068 -9.8068 -9.4866 -9.4866 -9.3452 -9.3452 -9.2496 -9.2496 -9.0536 -9.0536 -9.0455 -9.0455 -3.8529 -3.8529 -3.5774 -3.5774 -3.4407 -3.4407 -2.7203 -2.7203 -2.2488 -2.2488 -1.7827 -1.7827 -1.7647 -1.7647 -1.6154 -1.6154 -1.5191 -1.5191 -1.3313 -1.3313 -1.1434 -1.1434 -1.0515 -1.0515 -0.9715 -0.9715 -0.9241 -0.9241 -0.7434 -0.7434 k = 0.0000 0.5156 0.0692 ( 9598 PWs) bands (ev): -10.4957 -10.4957 -10.3601 -10.3601 -9.8046 -9.8046 -9.4864 -9.4864 -9.3452 -9.3452 -9.2539 -9.2539 -9.0561 -9.0561 -9.0507 -9.0507 -3.8537 -3.8537 -3.5783 -3.5783 -3.4426 -3.4426 -2.7207 -2.7207 -2.2523 -2.2523 -1.7903 -1.7903 -1.7640 -1.7640 -1.5885 -1.5885 -1.5675 -1.5675 -1.3314 -1.3314 -1.1251 -1.1251 -1.0547 -1.0547 -0.9841 -0.9841 -0.9259 -0.9259 -0.7459 -0.7459 k = 0.0000 0.5156 0.0922 ( 9592 PWs) bands (ev): -10.4907 -10.4907 -10.3549 -10.3549 -9.8015 -9.8015 -9.4862 -9.4862 -9.3451 -9.3451 -9.2599 -9.2599 -9.0594 -9.0594 -9.0581 -9.0581 -3.8546 -3.8546 -3.5795 -3.5795 -3.4452 -3.4452 -2.7214 -2.7214 -2.2571 -2.2571 -1.7972 -1.7972 -1.7624 -1.7624 -1.6227 -1.6227 -1.5525 -1.5525 -1.3455 -1.3455 -1.1140 -1.1140 -1.0423 -1.0423 -0.9997 -0.9997 -0.9291 -0.9291 -0.7482 -0.7482 k = 0.0000 0.5156 0.1153 ( 9594 PWs) bands (ev): -10.4841 -10.4841 -10.3484 -10.3484 -9.7976 -9.7976 -9.4859 -9.4859 -9.3451 -9.3451 -9.2677 -9.2677 -9.0674 -9.0674 -9.0637 -9.0637 -3.8557 -3.8557 -3.5811 -3.5811 -3.4486 -3.4486 -2.7226 -2.7226 -2.2629 -2.2629 -1.8017 -1.8017 -1.7611 -1.7611 -1.6762 -1.6762 -1.5155 -1.5155 -1.3694 -1.3694 -1.1173 -1.1173 -1.0178 -1.0178 -1.0095 -1.0095 -0.9331 -0.9331 -0.7496 -0.7496 k = 0.0000 0.5156 0.1383 ( 9592 PWs) bands (ev): -10.4762 -10.4762 -10.3403 -10.3403 -9.7929 -9.7929 -9.4856 -9.4856 -9.3451 -9.3451 -9.2771 -9.2771 -9.0786 -9.0786 -9.0688 -9.0688 -3.8565 -3.8565 -3.5832 -3.5832 -3.4526 -3.4526 -2.7246 -2.7246 -2.2694 -2.2694 -1.8034 -1.8034 -1.7614 -1.7614 -1.7294 -1.7294 -1.4762 -1.4762 -1.3991 -1.3991 -1.1257 -1.1257 -1.0370 -1.0370 -0.9681 -0.9681 -0.9372 -0.9372 -0.7498 -0.7498 k = 0.0000 0.5156 0.1614 ( 9590 PWs) bands (ev): -10.4668 -10.4668 -10.3309 -10.3309 -9.7873 -9.7873 -9.4854 -9.4854 -9.3452 -9.3452 -9.2882 -9.2882 -9.0917 -9.0917 -9.0746 -9.0746 -3.8572 -3.8572 -3.5857 -3.5857 -3.4573 -3.4573 -2.7276 -2.7276 -2.2765 -2.2765 -1.8028 -1.8028 -1.7828 -1.7828 -1.7620 -1.7620 -1.4378 -1.4378 -1.4300 -1.4300 -1.1336 -1.1336 -1.0570 -1.0570 -0.9407 -0.9407 -0.9238 -0.9238 -0.7484 -0.7484 k = 0.0000 0.5156 0.1845 ( 9592 PWs) bands (ev): -10.4560 -10.4560 -10.3200 -10.3200 -9.7810 -9.7810 -9.4853 -9.4853 -9.3454 -9.3454 -9.3010 -9.3010 -9.1064 -9.1064 -9.0811 -9.0811 -3.8574 -3.8574 -3.5885 -3.5885 -3.4626 -3.4626 -2.7319 -2.7319 -2.2840 -2.2840 -1.8353 -1.8353 -1.7966 -1.7966 -1.7681 -1.7681 -1.4649 -1.4649 -1.3969 -1.3969 -1.1386 -1.1386 -1.0763 -1.0763 -0.9423 -0.9423 -0.8800 -0.8800 -0.7449 -0.7449 k = 0.0000 0.5156 0.2075 ( 9580 PWs) bands (ev): -10.4438 -10.4438 -10.3078 -10.3078 -9.7738 -9.7738 -9.4853 -9.4853 -9.3458 -9.3458 -9.3153 -9.3153 -9.1228 -9.1228 -9.0883 -9.0883 -3.8571 -3.8571 -3.5917 -3.5917 -3.4685 -3.4685 -2.7379 -2.7379 -2.2917 -2.2917 -1.8837 -1.8837 -1.7921 -1.7921 -1.7761 -1.7761 -1.4966 -1.4966 -1.3615 -1.3615 -1.1392 -1.1392 -1.0930 -1.0930 -0.9412 -0.9412 -0.8379 -0.8379 -0.7388 -0.7388 k = 0.0000 0.5156 0.2306 ( 9568 PWs) bands (ev): -10.4303 -10.4303 -10.2941 -10.2941 -9.7660 -9.7660 -9.4857 -9.4857 -9.3465 -9.3465 -9.3311 -9.3311 -9.1405 -9.1405 -9.0959 -9.0959 -3.8561 -3.8561 -3.5950 -3.5950 -3.4750 -3.4750 -2.7460 -2.7460 -2.2995 -2.2995 -1.9296 -1.9296 -1.7992 -1.7992 -1.7750 -1.7750 -1.5260 -1.5260 -1.3331 -1.3331 -1.1344 -1.1344 -1.1044 -1.1044 -0.9361 -0.9361 -0.7998 -0.7997 -0.7289 -0.7289 k = 0.0000 0.5156 0.2536 ( 9564 PWs) bands (ev): -10.4154 -10.4154 -10.2791 -10.2791 -9.7574 -9.7574 -9.4865 -9.4865 -9.3481 -9.3481 -9.3476 -9.3476 -9.1594 -9.1594 -9.1041 -9.1041 -3.8544 -3.8544 -3.5982 -3.5982 -3.4820 -3.4820 -2.7565 -2.7565 -2.3074 -2.3074 -1.9724 -1.9724 -1.8187 -1.8187 -1.7648 -1.7648 -1.5525 -1.5525 -1.3157 -1.3157 -1.1239 -1.1239 -1.1070 -1.1070 -0.9259 -0.9259 -0.7687 -0.7687 -0.7127 -0.7127 k = 0.0000 0.5156 0.2767 ( 9566 PWs) bands (ev): -10.3992 -10.3992 -10.2628 -10.2628 -9.7482 -9.7482 -9.4882 -9.4882 -9.3661 -9.3661 -9.3495 -9.3495 -9.1791 -9.1791 -9.1127 -9.1127 -3.8519 -3.8519 -3.6013 -3.6013 -3.4896 -3.4896 -2.7699 -2.7699 -2.3152 -2.3152 -2.0115 -2.0115 -1.8437 -1.8437 -1.7528 -1.7528 -1.5758 -1.5758 -1.3108 -1.3108 -1.1077 -1.1077 -1.0998 -1.0998 -0.9091 -0.9091 -0.7470 -0.7470 -0.7293 -0.7293 k = 0.0000 0.5156 0.2998 ( 9564 PWs) bands (ev): -10.3817 -10.3817 -10.2452 -10.2452 -9.7384 -9.7384 -9.4911 -9.4911 -9.3844 -9.3844 -9.3524 -9.3524 -9.1992 -9.1992 -9.1216 -9.1216 -3.8485 -3.8485 -3.6038 -3.6038 -3.4978 -3.4978 -2.7863 -2.7863 -2.3228 -2.3228 -2.0466 -2.0466 -1.8725 -1.8725 -1.7408 -1.7408 -1.5959 -1.5959 -1.3156 -1.3156 -1.0880 -1.0880 -1.0837 -1.0837 -0.8850 -0.8850 -0.7561 -0.7561 -0.7315 -0.7315 k = 0.0000 0.5156 0.3228 ( 9566 PWs) bands (ev): -10.3630 -10.3630 -10.2263 -10.2263 -9.7281 -9.7281 -9.4960 -9.4960 -9.4024 -9.4024 -9.3568 -9.3568 -9.2190 -9.2190 -9.1309 -9.1309 -3.8443 -3.8443 -3.6055 -3.6055 -3.5066 -3.5066 -2.8061 -2.8061 -2.3302 -2.3302 -2.0775 -2.0775 -1.9037 -1.9037 -1.7305 -1.7305 -1.6129 -1.6129 -1.3251 -1.3251 -1.0707 -1.0707 -1.0578 -1.0578 -0.8539 -0.8539 -0.7842 -0.7842 -0.7183 -0.7183 k = 0.0000 0.5156 0.3459 ( 9580 PWs) bands (ev): -10.3430 -10.3430 -10.2061 -10.2061 -9.7172 -9.7172 -9.5041 -9.5041 -9.4188 -9.4188 -9.3636 -9.3636 -9.2376 -9.2376 -9.1405 -9.1405 -3.8394 -3.8394 -3.6062 -3.6062 -3.5161 -3.5161 -2.8291 -2.8291 -2.3372 -2.3372 -2.1040 -2.1040 -1.9363 -1.9363 -1.7235 -1.7235 -1.6266 -1.6266 -1.3345 -1.3345 -1.0548 -1.0548 -1.0268 -1.0268 -0.8219 -0.8219 -0.8075 -0.8075 -0.7058 -0.7058 k = 0.0000 0.5156 0.3689 ( 9586 PWs) bands (ev): -10.3218 -10.3218 -10.1848 -10.1848 -9.7059 -9.7059 -9.5166 -9.5166 -9.4323 -9.4323 -9.3737 -9.3737 -9.2539 -9.2539 -9.1502 -9.1502 -3.8337 -3.8337 -3.6055 -3.6055 -3.5261 -3.5261 -2.8554 -2.8554 -2.3439 -2.3439 -2.1262 -2.1262 -1.9694 -1.9694 -1.7215 -1.7215 -1.6371 -1.6371 -1.3402 -1.3402 -1.0413 -1.0413 -0.9924 -0.9924 -0.8422 -0.8422 -0.7727 -0.7727 -0.6952 -0.6952 k = 0.0000 0.5156 0.3920 ( 9586 PWs) bands (ev): -10.2995 -10.2995 -10.1623 -10.1623 -9.6943 -9.6943 -9.5341 -9.5341 -9.4423 -9.4423 -9.3878 -9.3878 -9.2671 -9.2671 -9.1602 -9.1602 -3.8274 -3.8274 -3.6031 -3.6031 -3.5367 -3.5367 -2.8846 -2.8846 -2.3500 -2.3500 -2.1444 -2.1444 -2.0022 -2.0022 -1.7258 -1.7258 -1.6441 -1.6441 -1.3403 -1.3403 -1.0322 -1.0322 -0.9557 -0.9557 -0.8654 -0.8654 -0.7286 -0.7286 -0.6960 -0.6960 k = 0.0000 0.5156 0.4150 ( 9578 PWs) bands (ev): -10.2760 -10.2760 -10.1386 -10.1386 -9.6825 -9.6825 -9.5559 -9.5559 -9.4495 -9.4495 -9.4062 -9.4062 -9.2767 -9.2767 -9.1702 -9.1702 -3.8205 -3.8205 -3.5986 -3.5986 -3.5480 -3.5480 -2.9164 -2.9164 -2.3554 -2.3554 -2.1590 -2.1590 -2.0341 -2.0341 -1.7367 -1.7367 -1.6476 -1.6476 -1.3337 -1.3337 -1.0314 -1.0314 -0.9182 -0.9182 -0.8802 -0.8802 -0.7091 -0.7091 -0.6819 -0.6819 k = 0.0000 0.5156 0.4381 ( 9580 PWs) bands (ev): -10.2515 -10.2515 -10.1139 -10.1139 -9.6706 -9.6706 -9.5809 -9.5809 -9.4547 -9.4547 -9.4282 -9.4282 -9.2832 -9.2832 -9.1803 -9.1803 -3.8133 -3.8133 -3.5920 -3.5920 -3.5598 -3.5598 -2.9504 -2.9504 -2.3601 -2.3601 -2.1703 -2.1703 -2.0645 -2.0645 -1.7538 -1.7538 -1.6474 -1.6474 -1.3211 -1.3211 -1.0423 -1.0423 -0.8826 -0.8826 -0.8816 -0.8816 -0.7206 -0.7206 -0.6438 -0.6437 k = 0.0000 0.5156 0.4612 ( 9572 PWs) bands (ev): -10.2259 -10.2259 -10.0882 -10.0882 -9.6589 -9.6589 -9.6083 -9.6083 -9.4590 -9.4590 -9.4529 -9.4529 -9.2871 -9.2871 -9.1903 -9.1903 -3.8056 -3.8056 -3.5829 -3.5829 -3.5722 -3.5722 -2.9861 -2.9861 -2.3639 -2.3639 -2.1793 -2.1793 -2.0924 -2.0924 -1.7758 -1.7758 -1.6435 -1.6435 -1.3037 -1.3037 -1.0640 -1.0640 -0.8706 -0.8706 -0.8533 -0.8533 -0.7259 -0.7259 -0.6277 -0.6276 k = 0.0000 0.5156 0.4842 ( 9568 PWs) bands (ev): -10.1994 -10.1994 -10.0615 -10.0615 -9.6477 -9.6477 -9.6373 -9.6373 -9.4792 -9.4792 -9.4630 -9.4630 -9.2893 -9.2893 -9.2002 -9.2002 -3.7977 -3.7977 -3.5851 -3.5851 -3.5712 -3.5712 -3.0230 -3.0230 -2.3666 -2.3666 -2.1873 -2.1873 -2.1165 -2.1165 -1.8016 -1.8016 -1.6359 -1.6359 -1.2832 -1.2832 -1.0922 -1.0922 -0.8500 -0.8500 -0.8390 -0.8390 -0.7171 -0.7171 -0.6108 -0.6108 k = 0.0000 0.5156 0.5073 ( 9568 PWs) bands (ev): -10.1720 -10.1720 -10.0339 -10.0339 -9.6674 -9.6674 -9.6379 -9.6379 -9.5058 -9.5058 -9.4670 -9.4670 -9.2902 -9.2902 -9.2099 -9.2099 -3.7894 -3.7894 -3.5984 -3.5984 -3.5568 -3.5568 -3.0609 -3.0609 -2.3682 -2.3682 -2.1971 -2.1971 -2.1340 -2.1340 -1.8298 -1.8298 -1.6247 -1.6247 -1.2622 -1.2622 -1.1223 -1.1223 -0.8423 -0.8423 -0.8229 -0.8229 -0.6924 -0.6924 -0.5932 -0.5932 k = 0.0000 0.5156 0.5303 ( 9570 PWs) bands (ev): -10.1437 -10.1437 -10.0055 -10.0055 -9.6985 -9.6985 -9.6310 -9.6310 -9.5305 -9.5305 -9.4713 -9.4713 -9.2901 -9.2901 -9.2193 -9.2193 -3.7809 -3.7809 -3.6121 -3.6121 -3.5398 -3.5398 -3.0992 -3.0992 -2.3686 -2.3686 -2.2112 -2.2112 -2.1425 -2.1425 -1.8595 -1.8595 -1.6101 -1.6101 -1.2452 -1.2452 -1.1486 -1.1486 -0.8560 -0.8560 -0.7916 -0.7916 -0.6593 -0.6593 -0.5748 -0.5748 k = 0.0000 0.5156 0.5534 ( 9566 PWs) bands (ev): -10.1146 -10.1146 -9.9763 -9.9763 -9.7302 -9.7302 -9.6311 -9.6311 -9.5493 -9.5493 -9.4762 -9.4762 -9.2892 -9.2892 -9.2283 -9.2283 -3.7719 -3.7719 -3.6259 -3.6259 -3.5202 -3.5202 -3.1376 -3.1376 -2.3675 -2.3675 -2.2289 -2.2289 -2.1427 -2.1427 -1.8897 -1.8897 -1.5922 -1.5922 -1.2440 -1.2440 -1.1592 -1.1592 -0.8749 -0.8749 -0.7570 -0.7570 -0.6247 -0.6247 -0.5557 -0.5557 k = 0.0000 0.5156 0.5765 ( 9560 PWs) bands (ev): -10.0848 -10.0848 -9.9465 -9.9465 -9.7622 -9.7622 -9.6430 -9.6430 -9.5569 -9.5569 -9.4816 -9.4816 -9.2876 -9.2876 -9.2368 -9.2368 -3.7625 -3.7625 -3.6399 -3.6399 -3.4982 -3.4982 -3.1759 -3.1759 -2.3650 -2.3650 -2.2479 -2.2479 -2.1368 -2.1368 -1.9199 -1.9199 -1.5714 -1.5714 -1.2647 -1.2647 -1.1477 -1.1477 -0.8965 -0.8965 -0.7201 -0.7201 -0.5923 -0.5923 -0.5364 -0.5364 k = 0.0000 0.5156 0.5995 ( 9564 PWs) bands (ev): -10.0544 -10.0544 -9.9163 -9.9163 -9.7944 -9.7944 -9.6656 -9.6656 -9.5546 -9.5546 -9.4878 -9.4878 -9.2854 -9.2854 -9.2448 -9.2448 -3.7526 -3.7526 -3.6538 -3.6538 -3.4737 -3.4737 -3.2137 -3.2137 -2.3609 -2.3609 -2.2666 -2.2666 -2.1266 -2.1266 -1.9496 -1.9496 -1.5478 -1.5478 -1.2958 -1.2958 -1.1257 -1.1257 -0.9196 -0.9196 -0.6818 -0.6818 -0.5641 -0.5641 -0.5184 -0.5184 k = 0.0000 0.5156 0.6226 ( 9576 PWs) bands (ev): -10.0233 -10.0233 -9.8865 -9.8865 -9.8258 -9.8258 -9.6937 -9.6937 -9.5474 -9.5474 -9.4947 -9.4947 -9.2826 -9.2826 -9.2522 -9.2522 -3.7421 -3.7421 -3.6677 -3.6677 -3.4471 -3.4471 -3.2508 -3.2508 -2.3552 -2.3552 -2.2842 -2.2842 -2.1129 -2.1129 -1.9783 -1.9783 -1.5218 -1.5218 -1.3298 -1.3298 -1.1004 -1.1004 -0.9439 -0.9439 -0.6431 -0.6431 -0.5410 -0.5410 -0.5044 -0.5044 k = 0.0000 0.5156 0.6456 ( 9572 PWs) bands (ev): -9.9918 -9.9918 -9.8699 -9.8699 -9.8436 -9.8436 -9.7241 -9.7241 -9.5385 -9.5385 -9.5023 -9.5023 -9.2791 -9.2791 -9.2589 -9.2589 -3.7311 -3.7311 -3.6812 -3.6812 -3.4184 -3.4184 -3.2869 -3.2869 -2.3478 -2.3478 -2.3004 -2.3004 -2.0963 -2.0963 -2.0057 -2.0057 -1.4936 -1.4936 -1.3643 -1.3643 -1.0740 -1.0740 -0.9690 -0.9690 -0.6056 -0.6056 -0.5255 -0.5255 -0.4951 -0.4951 k = 0.0000 0.5156 0.6687 ( 9568 PWs) bands (ev): -9.9599 -9.9599 -9.8961 -9.8961 -9.8183 -9.8183 -9.7555 -9.7555 -9.5290 -9.5290 -9.5107 -9.5107 -9.2751 -9.2751 -9.2650 -9.2650 -3.7194 -3.7194 -3.6944 -3.6944 -3.3879 -3.3879 -3.3220 -3.3220 -2.3386 -2.3386 -2.3149 -2.3149 -2.0770 -2.0770 -2.0314 -2.0314 -1.4634 -1.4634 -1.3984 -1.3984 -1.0474 -1.0474 -0.9947 -0.9947 -0.5713 -0.5712 -0.5257 -0.5257 -0.4840 -0.4840 k = 0.0000 0.5156 0.6917 ( 9572 PWs) bands (ev): -9.9279 -9.9279 -9.9279 -9.9279 -9.7871 -9.7871 -9.7871 -9.7871 -9.5196 -9.5196 -9.5196 -9.5196 -9.2703 -9.2703 -9.2703 -9.2703 -3.7072 -3.7072 -3.7072 -3.7072 -3.3557 -3.3557 -3.3557 -3.3557 -2.3276 -2.3276 -2.3276 -2.3276 -2.0553 -2.0553 -2.0553 -2.0553 -1.4316 -1.4316 -1.4316 -1.4316 -1.0209 -1.0209 -1.0209 -1.0209 -0.5431 -0.5431 -0.5431 -0.5431 -0.4686 -0.4686 k = 0.0000 0.5156 0.6917 ( 9572 PWs) bands (ev): -9.9279 -9.9279 -9.9279 -9.9279 -9.7871 -9.7871 -9.7871 -9.7871 -9.5196 -9.5196 -9.5196 -9.5196 -9.2703 -9.2703 -9.2703 -9.2703 -3.7072 -3.7072 -3.7072 -3.7072 -3.3557 -3.3557 -3.3557 -3.3557 -2.3276 -2.3276 -2.3276 -2.3276 -2.0553 -2.0553 -2.0553 -2.0553 -1.4316 -1.4316 -1.4316 -1.4316 -1.0209 -1.0209 -1.0209 -1.0209 -0.5431 -0.5431 -0.5431 -0.5431 -0.4686 -0.4686 k = 0.0223 0.5156 0.6917 ( 9566 PWs) bands (ev): -9.9275 -9.9275 -9.9275 -9.9275 -9.7867 -9.7867 -9.7867 -9.7867 -9.5203 -9.5203 -9.5203 -9.5203 -9.2707 -9.2707 -9.2707 -9.2707 -3.7061 -3.7061 -3.7061 -3.7061 -3.3560 -3.3560 -3.3560 -3.3560 -2.3259 -2.3259 -2.3256 -2.3256 -2.0555 -2.0555 -2.0552 -2.0552 -1.4327 -1.4327 -1.4323 -1.4323 -1.0203 -1.0203 -1.0198 -1.0198 -0.5509 -0.5509 -0.5508 -0.5508 -0.4663 -0.4656 k = 0.0446 0.5156 0.6917 ( 9568 PWs) bands (ev): -9.9264 -9.9264 -9.9264 -9.9264 -9.7855 -9.7855 -9.7855 -9.7855 -9.5222 -9.5222 -9.5222 -9.5222 -9.2717 -9.2717 -9.2717 -9.2717 -3.7029 -3.7029 -3.7029 -3.7029 -3.3571 -3.3571 -3.3570 -3.3570 -2.3204 -2.3204 -2.3199 -2.3199 -2.0559 -2.0559 -2.0552 -2.0552 -1.4355 -1.4355 -1.4346 -1.4346 -1.0183 -1.0183 -1.0173 -1.0173 -0.5708 -0.5708 -0.5703 -0.5703 -0.4608 -0.4606 k = 0.0670 0.5156 0.6917 ( 9578 PWs) bands (ev): -9.9246 -9.9246 -9.9246 -9.9246 -9.7835 -9.7835 -9.7835 -9.7835 -9.5255 -9.5255 -9.5254 -9.5254 -9.2733 -9.2733 -9.2733 -9.2733 -3.6978 -3.6978 -3.6977 -3.6977 -3.3587 -3.3587 -3.3587 -3.3587 -2.3114 -2.3114 -2.3107 -2.3107 -2.0563 -2.0563 -2.0554 -2.0554 -1.4397 -1.4397 -1.4384 -1.4384 -1.0153 -1.0153 -1.0137 -1.0137 -0.5973 -0.5973 -0.5963 -0.5963 -0.4562 -0.4557 k = 0.0893 0.5156 0.6917 ( 9572 PWs) bands (ev): -9.9220 -9.9220 -9.9220 -9.9220 -9.7807 -9.7807 -9.7807 -9.7807 -9.5299 -9.5299 -9.5299 -9.5299 -9.2757 -9.2757 -9.2757 -9.2757 -3.6906 -3.6906 -3.6906 -3.6906 -3.3609 -3.3609 -3.3608 -3.3608 -2.2992 -2.2992 -2.2982 -2.2982 -2.0567 -2.0567 -2.0555 -2.0555 -1.4451 -1.4451 -1.4435 -1.4435 -1.0119 -1.0119 -1.0098 -1.0098 -0.6271 -0.6271 -0.6257 -0.6257 -0.4546 -0.4545 k = 0.1116 0.5156 0.6917 ( 9576 PWs) bands (ev): -9.9188 -9.9188 -9.9188 -9.9188 -9.7772 -9.7772 -9.7772 -9.7772 -9.5354 -9.5354 -9.5354 -9.5354 -9.2787 -9.2787 -9.2787 -9.2787 -3.6817 -3.6817 -3.6816 -3.6816 -3.3634 -3.3634 -3.3634 -3.3634 -2.2840 -2.2840 -2.2828 -2.2828 -2.0569 -2.0569 -2.0553 -2.0553 -1.4512 -1.4512 -1.4493 -1.4493 -1.0091 -1.0091 -1.0065 -1.0065 -0.6578 -0.6578 -0.6561 -0.6561 -0.4561 -0.4560 k = 0.1339 0.5156 0.6917 ( 9574 PWs) bands (ev): -9.9149 -9.9149 -9.9149 -9.9149 -9.7729 -9.7729 -9.7729 -9.7729 -9.5420 -9.5420 -9.5420 -9.5420 -9.2823 -9.2823 -9.2823 -9.2823 -3.6712 -3.6712 -3.6711 -3.6711 -3.3663 -3.3663 -3.3662 -3.3662 -2.2665 -2.2665 -2.2650 -2.2650 -2.0565 -2.0565 -2.0545 -2.0545 -1.4578 -1.4578 -1.4557 -1.4557 -1.0082 -1.0082 -1.0050 -1.0050 -0.6875 -0.6875 -0.6856 -0.6856 -0.4609 -0.4608 k = 0.1562 0.5156 0.6917 ( 9570 PWs) bands (ev): -9.9104 -9.9104 -9.9104 -9.9104 -9.7680 -9.7680 -9.7680 -9.7680 -9.5495 -9.5495 -9.5495 -9.5495 -9.2866 -9.2866 -9.2866 -9.2866 -3.6593 -3.6593 -3.6592 -3.6592 -3.3692 -3.3692 -3.3691 -3.3691 -2.2474 -2.2474 -2.2457 -2.2457 -2.0550 -2.0550 -2.0526 -2.0526 -1.4644 -1.4644 -1.4621 -1.4621 -1.0107 -1.0107 -1.0070 -1.0070 -0.7142 -0.7142 -0.7123 -0.7123 -0.4689 -0.4687 k = 0.1786 0.5156 0.6917 ( 9568 PWs) bands (ev): -9.9053 -9.9053 -9.9053 -9.9053 -9.7626 -9.7626 -9.7626 -9.7626 -9.5577 -9.5577 -9.5577 -9.5577 -9.2915 -9.2915 -9.2915 -9.2915 -3.6464 -3.6464 -3.6462 -3.6462 -3.3719 -3.3719 -3.3718 -3.3718 -2.2278 -2.2278 -2.2259 -2.2259 -2.0517 -2.0517 -2.0488 -2.0488 -1.4706 -1.4706 -1.4681 -1.4681 -1.0181 -1.0181 -1.0138 -1.0138 -0.7361 -0.7361 -0.7344 -0.7344 -0.4801 -0.4798 k = 0.2009 0.5156 0.6917 ( 9564 PWs) bands (ev): -9.8996 -9.8996 -9.8996 -9.8996 -9.7566 -9.7566 -9.7566 -9.7566 -9.5665 -9.5665 -9.5665 -9.5665 -9.2971 -9.2971 -9.2971 -9.2971 -3.6328 -3.6328 -3.6326 -3.6326 -3.3743 -3.3743 -3.3741 -3.3741 -2.2092 -2.2092 -2.2071 -2.2071 -2.0453 -2.0453 -2.0421 -2.0421 -1.4761 -1.4761 -1.4736 -1.4736 -1.0315 -1.0315 -1.0266 -1.0266 -0.7521 -0.7521 -0.7506 -0.7506 -0.4942 -0.4932 k = 0.2232 0.5156 0.6917 ( 9582 PWs) bands (ev): -9.8935 -9.8935 -9.8935 -9.8935 -9.7503 -9.7503 -9.7503 -9.7503 -9.5756 -9.5756 -9.5756 -9.5756 -9.3032 -9.3032 -9.3032 -9.3032 -3.6191 -3.6191 -3.6189 -3.6189 -3.3761 -3.3761 -3.3757 -3.3757 -2.1930 -2.1930 -2.1909 -2.1909 -2.0347 -2.0347 -2.0313 -2.0313 -1.4806 -1.4806 -1.4780 -1.4780 -1.0509 -1.0509 -1.0454 -1.0454 -0.7620 -0.7620 -0.7607 -0.7607 -0.5116 -0.5103 k = 0.2455 0.5156 0.6917 ( 9574 PWs) bands (ev): -9.8871 -9.8871 -9.8871 -9.8871 -9.7439 -9.7439 -9.7439 -9.7439 -9.5847 -9.5847 -9.5847 -9.5847 -9.3099 -9.3099 -9.3099 -9.3099 -3.6057 -3.6057 -3.6054 -3.6054 -3.3768 -3.3768 -3.3764 -3.3764 -2.1805 -2.1805 -2.1786 -2.1786 -2.0189 -2.0189 -2.0156 -2.0156 -1.4837 -1.4837 -1.4811 -1.4811 -1.0752 -1.0752 -1.0694 -1.0694 -0.7666 -0.7666 -0.7656 -0.7656 -0.5318 -0.5315 k = 0.2678 0.5156 0.6917 ( 9574 PWs) bands (ev): -9.8804 -9.8804 -9.8804 -9.8804 -9.7376 -9.7376 -9.7376 -9.7376 -9.5934 -9.5934 -9.5934 -9.5934 -9.3171 -9.3171 -9.3171 -9.3171 -3.5933 -3.5933 -3.5929 -3.5929 -3.3763 -3.3763 -3.3757 -3.3757 -2.1720 -2.1720 -2.1706 -2.1706 -1.9982 -1.9982 -1.9950 -1.9950 -1.4849 -1.4849 -1.4824 -1.4824 -1.1032 -1.1032 -1.0971 -1.0971 -0.7674 -0.7674 -0.7668 -0.7668 -0.5544 -0.5522 k = 0.2902 0.5156 0.6917 ( 9580 PWs) bands (ev): -9.8735 -9.8735 -9.8735 -9.8735 -9.7318 -9.7318 -9.7318 -9.7318 -9.6012 -9.6012 -9.6011 -9.6011 -9.3248 -9.3248 -9.3248 -9.3248 -3.5823 -3.5823 -3.5818 -3.5818 -3.3741 -3.3741 -3.3735 -3.3735 -2.1672 -2.1672 -2.1662 -2.1662 -1.9738 -1.9738 -1.9708 -1.9708 -1.4839 -1.4839 -1.4814 -1.4814 -1.1331 -1.1331 -1.1269 -1.1269 -0.7662 -0.7662 -0.7659 -0.7659 -0.5787 -0.5784 k = 0.3125 0.5156 0.6917 ( 9588 PWs) bands (ev): -9.8668 -9.8668 -9.8668 -9.8668 -9.7270 -9.7270 -9.7270 -9.7270 -9.6073 -9.6073 -9.6073 -9.6073 -9.3329 -9.3329 -9.3329 -9.3329 -3.5734 -3.5734 -3.5729 -3.5729 -3.3702 -3.3702 -3.3695 -3.3695 -2.1648 -2.1648 -2.1643 -2.1643 -1.9475 -1.9475 -1.9447 -1.9447 -1.4799 -1.4799 -1.4776 -1.4776 -1.1640 -1.1640 -1.1577 -1.1577 -0.7646 -0.7646 -0.7644 -0.7644 -0.6043 -0.6040 k = 0.3348 0.5156 0.6917 ( 9596 PWs) bands (ev): -9.8603 -9.8603 -9.8603 -9.8603 -9.7237 -9.7237 -9.7237 -9.7237 -9.6110 -9.6110 -9.6110 -9.6110 -9.3414 -9.3414 -9.3414 -9.3414 -3.5669 -3.5669 -3.5663 -3.5663 -3.3646 -3.3646 -3.3638 -3.3638 -2.1639 -2.1639 -2.1638 -2.1638 -1.9211 -1.9211 -1.9183 -1.9183 -1.4724 -1.4724 -1.4703 -1.4703 -1.1951 -1.1951 -1.1888 -1.1888 -0.7643 -0.7643 -0.7635 -0.7635 -0.6294 -0.6293 k = 0.3571 0.5156 0.6917 ( 9606 PWs) bands (ev): -9.8545 -9.8545 -9.8545 -9.8545 -9.7222 -9.7222 -9.7222 -9.7222 -9.6118 -9.6118 -9.6118 -9.6118 -9.3502 -9.3502 -9.3501 -9.3501 -3.5628 -3.5628 -3.5623 -3.5623 -3.3575 -3.3575 -3.3566 -3.3566 -2.1638 -2.1638 -2.1636 -2.1636 -1.8961 -1.8961 -1.8934 -1.8934 -1.4608 -1.4608 -1.4588 -1.4588 -1.2259 -1.2259 -1.2195 -1.2195 -0.7667 -0.7667 -0.7653 -0.7653 -0.6526 -0.6523 k = 0.3795 0.5156 0.6917 ( 9606 PWs) bands (ev): -9.8497 -9.8497 -9.8497 -9.8497 -9.7225 -9.7225 -9.7225 -9.7225 -9.6093 -9.6093 -9.6092 -9.6092 -9.3592 -9.3592 -9.3592 -9.3592 -3.5612 -3.5612 -3.5607 -3.5607 -3.3494 -3.3494 -3.3486 -3.3486 -2.1637 -2.1637 -2.1633 -2.1633 -1.8739 -1.8739 -1.8712 -1.8712 -1.4445 -1.4445 -1.4426 -1.4426 -1.2562 -1.2562 -1.2498 -1.2498 -0.7733 -0.7733 -0.7713 -0.7713 -0.6714 -0.6713 k = 0.4018 0.5156 0.6917 ( 9600 PWs) bands (ev): -9.8464 -9.8464 -9.8464 -9.8464 -9.7237 -9.7237 -9.7237 -9.7237 -9.6037 -9.6037 -9.6036 -9.6036 -9.3684 -9.3684 -9.3683 -9.3683 -3.5618 -3.5618 -3.5613 -3.5613 -3.3411 -3.3411 -3.3402 -3.3402 -2.1628 -2.1628 -2.1623 -2.1623 -1.8552 -1.8552 -1.8524 -1.8524 -1.4241 -1.4241 -1.4221 -1.4221 -1.2857 -1.2857 -1.2791 -1.2791 -0.7847 -0.7847 -0.7825 -0.7825 -0.6843 -0.6843 k = 0.4018 0.5156 0.6917 ( 9600 PWs) bands (ev): -9.8464 -9.8464 -9.8464 -9.8464 -9.7237 -9.7237 -9.7237 -9.7237 -9.6037 -9.6037 -9.6036 -9.6036 -9.3684 -9.3684 -9.3683 -9.3683 -3.5618 -3.5618 -3.5613 -3.5613 -3.3411 -3.3411 -3.3402 -3.3402 -2.1628 -2.1628 -2.1623 -2.1623 -1.8552 -1.8552 -1.8524 -1.8524 -1.4241 -1.4241 -1.4221 -1.4221 -1.2857 -1.2857 -1.2791 -1.2791 -0.7847 -0.7847 -0.7825 -0.7825 -0.6843 -0.6842 k = 0.3879 0.4979 0.6917 ( 9608 PWs) bands (ev): -9.8508 -9.8508 -9.8508 -9.8508 -9.7213 -9.7213 -9.7213 -9.7213 -9.6141 -9.6141 -9.6141 -9.6141 -9.3535 -9.3535 -9.3535 -9.3535 -3.5592 -3.5592 -3.5586 -3.5586 -3.3554 -3.3554 -3.3545 -3.3545 -2.1650 -2.1650 -2.1647 -2.1647 -1.8818 -1.8818 -1.8790 -1.8790 -1.4610 -1.4610 -1.4593 -1.4593 -1.2379 -1.2379 -1.2316 -1.2316 -0.7622 -0.7622 -0.7600 -0.7600 -0.6683 -0.6681 k = 0.3741 0.4801 0.6917 ( 9618 PWs) bands (ev): -9.8565 -9.8565 -9.8565 -9.8565 -9.7187 -9.7187 -9.7187 -9.7187 -9.6225 -9.6225 -9.6225 -9.6225 -9.3394 -9.3394 -9.3394 -9.3394 -3.5567 -3.5567 -3.5560 -3.5560 -3.3711 -3.3711 -3.3702 -3.3702 -2.1673 -2.1673 -2.1672 -2.1672 -1.9056 -1.9056 -1.9029 -1.9029 -1.4988 -1.4988 -1.4971 -1.4971 -1.1890 -1.1890 -1.1829 -1.1829 -0.7395 -0.7395 -0.7373 -0.7373 -0.6534 -0.6532 k = 0.3602 0.4623 0.6917 ( 9610 PWs) bands (ev): -9.8636 -9.8636 -9.8636 -9.8636 -9.7159 -9.7159 -9.7159 -9.7159 -9.6286 -9.6286 -9.6286 -9.6286 -9.3260 -9.3260 -9.3260 -9.3260 -3.5546 -3.5546 -3.5538 -3.5538 -3.3879 -3.3879 -3.3869 -3.3869 -2.1701 -2.1701 -2.1697 -2.1697 -1.9264 -1.9264 -1.9236 -1.9236 -1.5366 -1.5366 -1.5348 -1.5348 -1.1394 -1.1394 -1.1335 -1.1335 -0.7170 -0.7170 -0.7149 -0.7149 -0.6397 -0.6396 k = 0.3464 0.4445 0.6917 ( 9610 PWs) bands (ev): -9.8722 -9.8722 -9.8721 -9.8721 -9.7130 -9.7130 -9.7130 -9.7130 -9.6323 -9.6323 -9.6323 -9.6323 -9.3135 -9.3135 -9.3135 -9.3135 -3.5531 -3.5531 -3.5523 -3.5523 -3.4053 -3.4053 -3.4043 -3.4043 -2.1736 -2.1736 -2.1725 -2.1725 -1.9436 -1.9436 -1.9407 -1.9407 -1.5739 -1.5739 -1.5720 -1.5720 -1.0893 -1.0893 -1.0835 -1.0835 -0.6949 -0.6949 -0.6930 -0.6930 -0.6272 -0.6271 k = 0.3325 0.4267 0.6917 ( 9598 PWs) bands (ev): -9.8821 -9.8821 -9.8821 -9.8821 -9.7099 -9.7099 -9.7099 -9.7099 -9.6337 -9.6337 -9.6337 -9.6337 -9.3019 -9.3019 -9.3019 -9.3019 -3.5529 -3.5529 -3.5520 -3.5520 -3.4227 -3.4227 -3.4218 -3.4218 -2.1777 -2.1777 -2.1760 -2.1760 -1.9571 -1.9571 -1.9540 -1.9540 -1.6102 -1.6102 -1.6081 -1.6081 -1.0390 -1.0390 -1.0333 -1.0333 -0.6735 -0.6735 -0.6719 -0.6719 -0.6159 -0.6158 k = 0.3186 0.4090 0.6917 ( 9594 PWs) bands (ev): -9.8932 -9.8932 -9.8932 -9.8932 -9.7067 -9.7067 -9.7067 -9.7067 -9.6329 -9.6329 -9.6329 -9.6329 -9.2912 -9.2912 -9.2912 -9.2912 -3.5546 -3.5546 -3.5537 -3.5537 -3.4394 -3.4394 -3.4386 -3.4386 -2.1826 -2.1826 -2.1801 -2.1801 -1.9670 -1.9670 -1.9636 -1.9636 -1.6449 -1.6449 -1.6427 -1.6427 -0.9886 -0.9886 -0.9831 -0.9831 -0.6530 -0.6530 -0.6516 -0.6516 -0.6057 -0.6057 k = 0.3048 0.3912 0.6917 ( 9594 PWs) bands (ev): -9.9053 -9.9053 -9.9053 -9.9053 -9.7033 -9.7033 -9.7033 -9.7033 -9.6303 -9.6303 -9.6303 -9.6303 -9.2815 -9.2815 -9.2815 -9.2815 -3.5591 -3.5591 -3.5582 -3.5582 -3.4543 -3.4543 -3.4536 -3.4536 -2.1878 -2.1878 -2.1845 -2.1845 -1.9737 -1.9737 -1.9700 -1.9700 -1.6774 -1.6774 -1.6749 -1.6749 -0.9384 -0.9384 -0.9331 -0.9331 -0.6335 -0.6335 -0.6324 -0.6324 -0.5966 -0.5966 k = 0.2909 0.3734 0.6917 ( 9598 PWs) bands (ev): -9.9182 -9.9182 -9.9182 -9.9182 -9.6998 -9.6998 -9.6998 -9.6998 -9.6260 -9.6260 -9.6259 -9.6259 -9.2728 -9.2728 -9.2728 -9.2728 -3.5674 -3.5674 -3.5666 -3.5666 -3.4665 -3.4665 -3.4660 -3.4660 -2.1930 -2.1930 -2.1889 -2.1889 -1.9783 -1.9783 -1.9743 -1.9743 -1.7067 -1.7067 -1.7040 -1.7040 -0.8888 -0.8888 -0.8837 -0.8837 -0.6151 -0.6151 -0.6142 -0.6142 -0.5886 -0.5886 k = 0.2771 0.3556 0.6917 ( 9582 PWs) bands (ev): -9.9316 -9.9316 -9.9316 -9.9316 -9.6961 -9.6961 -9.6961 -9.6961 -9.6203 -9.6203 -9.6202 -9.6202 -9.2650 -9.2650 -9.2650 -9.2650 -3.5797 -3.5797 -3.5792 -3.5792 -3.4754 -3.4754 -3.4752 -3.4752 -2.1977 -2.1977 -2.1926 -2.1926 -1.9820 -1.9820 -1.9777 -1.9777 -1.7320 -1.7320 -1.7290 -1.7290 -0.8399 -0.8399 -0.8351 -0.8351 -0.5980 -0.5980 -0.5973 -0.5973 -0.5816 -0.5815 k = 0.2632 0.3378 0.6917 ( 9572 PWs) bands (ev): -9.9452 -9.9452 -9.9452 -9.9452 -9.6922 -9.6922 -9.6922 -9.6922 -9.6134 -9.6134 -9.6133 -9.6133 -9.2583 -9.2583 -9.2583 -9.2583 -3.5957 -3.5957 -3.5954 -3.5954 -3.4817 -3.4817 -3.4815 -3.4815 -2.2012 -2.2012 -2.1952 -2.1952 -1.9866 -1.9866 -1.9817 -1.9817 -1.7519 -1.7519 -1.7487 -1.7487 -0.7921 -0.7921 -0.7876 -0.7876 -0.5829 -0.5829 -0.5826 -0.5826 -0.5747 -0.5747 k = 0.2494 0.3201 0.6917 ( 9572 PWs) bands (ev): -9.9589 -9.9589 -9.9589 -9.9589 -9.6882 -9.6882 -9.6882 -9.6882 -9.6055 -9.6055 -9.6055 -9.6055 -9.2526 -9.2526 -9.2526 -9.2526 -3.6144 -3.6144 -3.6142 -3.6142 -3.4862 -3.4862 -3.4857 -3.4857 -2.2032 -2.2032 -2.1963 -2.1963 -1.9932 -1.9932 -1.9876 -1.9876 -1.7656 -1.7656 -1.7623 -1.7623 -0.7457 -0.7457 -0.7415 -0.7415 -0.5749 -0.5749 -0.5733 -0.5733 -0.5633 -0.5633 k = 0.2355 0.3023 0.6917 ( 9586 PWs) bands (ev): -9.9725 -9.9725 -9.9725 -9.9725 -9.6841 -9.6841 -9.6841 -9.6841 -9.5968 -9.5968 -9.5968 -9.5968 -9.2479 -9.2479 -9.2479 -9.2479 -3.6346 -3.6346 -3.6345 -3.6345 -3.4897 -3.4897 -3.4891 -3.4891 -2.2036 -2.2036 -2.1955 -2.1955 -2.0026 -2.0026 -1.9962 -1.9962 -1.7725 -1.7725 -1.7692 -1.7692 -0.7010 -0.7010 -0.6973 -0.6973 -0.5724 -0.5724 -0.5701 -0.5701 -0.5494 -0.5493 k = 0.2217 0.2845 0.6917 ( 9588 PWs) bands (ev): -9.9859 -9.9859 -9.9859 -9.9859 -9.6799 -9.6799 -9.6799 -9.6799 -9.5875 -9.5875 -9.5874 -9.5874 -9.2442 -9.2442 -9.2442 -9.2442 -3.6556 -3.6556 -3.6556 -3.6556 -3.4929 -3.4929 -3.4921 -3.4921 -2.2023 -2.2023 -2.1929 -2.1929 -2.0145 -2.0145 -2.0070 -2.0070 -1.7731 -1.7731 -1.7698 -1.7698 -0.6585 -0.6585 -0.6551 -0.6551 -0.5729 -0.5729 -0.5706 -0.5706 -0.5358 -0.5357 k = 0.2078 0.2667 0.6917 ( 9580 PWs) bands (ev): -9.9989 -9.9989 -9.9989 -9.9989 -9.6757 -9.6757 -9.6757 -9.6757 -9.5776 -9.5776 -9.5776 -9.5776 -9.2414 -9.2414 -9.2414 -9.2414 -3.6769 -3.6769 -3.6768 -3.6768 -3.4961 -3.4961 -3.4951 -3.4951 -2.1997 -2.1997 -2.1889 -2.1889 -2.0275 -2.0275 -2.0187 -2.0187 -1.7684 -1.7684 -1.7652 -1.7652 -0.6187 -0.6187 -0.6157 -0.6157 -0.5765 -0.5765 -0.5743 -0.5743 -0.5225 -0.5225 k = 0.1940 0.2489 0.6917 ( 9584 PWs) bands (ev): -10.0115 -10.0115 -10.0115 -10.0115 -9.6716 -9.6716 -9.6716 -9.6716 -9.5673 -9.5673 -9.5673 -9.5673 -9.2396 -9.2396 -9.2396 -9.2396 -3.6980 -3.6980 -3.6979 -3.6979 -3.4996 -3.4996 -3.4985 -3.4985 -2.1968 -2.1968 -2.1845 -2.1845 -2.0398 -2.0398 -2.0296 -2.0296 -1.7599 -1.7599 -1.7568 -1.7568 -0.5876 -0.5876 -0.5840 -0.5840 -0.5784 -0.5784 -0.5775 -0.5775 -0.5095 -0.5092 k = 0.1801 0.2312 0.6917 ( 9576 PWs) bands (ev): -10.0235 -10.0235 -10.0235 -10.0235 -9.6676 -9.6676 -9.6676 -9.6676 -9.5567 -9.5567 -9.5567 -9.5567 -9.2387 -9.2387 -9.2387 -9.2387 -3.7185 -3.7185 -3.7184 -3.7184 -3.5034 -3.5034 -3.5023 -3.5023 -2.1946 -2.1946 -2.1812 -2.1812 -2.0487 -2.0487 -2.0374 -2.0374 -1.7486 -1.7486 -1.7457 -1.7457 -0.5976 -0.5976 -0.5953 -0.5953 -0.5479 -0.5479 -0.5464 -0.5464 -0.4964 -0.4962 k = 0.1663 0.2134 0.6917 ( 9554 PWs) bands (ev): -10.0348 -10.0348 -10.0348 -10.0348 -9.6637 -9.6637 -9.6637 -9.6637 -9.5460 -9.5460 -9.5460 -9.5460 -9.2386 -9.2386 -9.2386 -9.2386 -3.7382 -3.7382 -3.7381 -3.7381 -3.5075 -3.5075 -3.5064 -3.5064 -2.1947 -2.1947 -2.1810 -2.1810 -2.0518 -2.0518 -2.0401 -2.0401 -1.7358 -1.7358 -1.7330 -1.7330 -0.6152 -0.6152 -0.6132 -0.6132 -0.5202 -0.5202 -0.5190 -0.5190 -0.4821 -0.4820 k = 0.1524 0.1956 0.6917 ( 9552 PWs) bands (ev): -10.0454 -10.0454 -10.0454 -10.0454 -9.6599 -9.6599 -9.6599 -9.6599 -9.5352 -9.5352 -9.5352 -9.5352 -9.2393 -9.2393 -9.2393 -9.2393 -3.7570 -3.7570 -3.7568 -3.7568 -3.5120 -3.5120 -3.5109 -3.5109 -2.1981 -2.1981 -2.1851 -2.1851 -2.0473 -2.0473 -2.0364 -2.0364 -1.7222 -1.7222 -1.7195 -1.7195 -0.6381 -0.6381 -0.6362 -0.6362 -0.4992 -0.4992 -0.4982 -0.4982 -0.4654 -0.4654 k = 0.1385 0.1778 0.6917 ( 9552 PWs) bands (ev): -10.0553 -10.0553 -10.0553 -10.0553 -9.6564 -9.6564 -9.6564 -9.6564 -9.5244 -9.5244 -9.5244 -9.5244 -9.2407 -9.2407 -9.2407 -9.2407 -3.7746 -3.7746 -3.7744 -3.7744 -3.5167 -3.5167 -3.5156 -3.5156 -2.2046 -2.2046 -2.1932 -2.1932 -2.0356 -2.0356 -2.0263 -2.0263 -1.7085 -1.7085 -1.7060 -1.7060 -0.6653 -0.6653 -0.6636 -0.6636 -0.4847 -0.4847 -0.4837 -0.4837 -0.4472 -0.4472 k = 0.1247 0.1600 0.6917 ( 9554 PWs) bands (ev): -10.0644 -10.0644 -10.0644 -10.0644 -9.6531 -9.6531 -9.6531 -9.6531 -9.5139 -9.5139 -9.5139 -9.5139 -9.2426 -9.2426 -9.2426 -9.2426 -3.7909 -3.7909 -3.7907 -3.7907 -3.5214 -3.5214 -3.5204 -3.5204 -2.2134 -2.2134 -2.2039 -2.2039 -2.0185 -2.0185 -2.0108 -2.0108 -1.6953 -1.6953 -1.6929 -1.6929 -0.6958 -0.6958 -0.6943 -0.6943 -0.4742 -0.4742 -0.4730 -0.4730 -0.4312 -0.4312 k = 0.1108 0.1422 0.6917 ( 9554 PWs) bands (ev): -10.0726 -10.0726 -10.0726 -10.0726 -9.6500 -9.6500 -9.6500 -9.6500 -9.5037 -9.5037 -9.5037 -9.5037 -9.2451 -9.2451 -9.2451 -9.2451 -3.8057 -3.8057 -3.8056 -3.8056 -3.5262 -3.5262 -3.5252 -3.5252 -2.2233 -2.2233 -2.2155 -2.2155 -1.9975 -1.9975 -1.9915 -1.9915 -1.6829 -1.6829 -1.6807 -1.6807 -0.7282 -0.7282 -0.7268 -0.7268 -0.4661 -0.4661 -0.4648 -0.4648 -0.4228 -0.4228 k = 0.0970 0.1245 0.6917 ( 9552 PWs) bands (ev): -10.0799 -10.0799 -10.0799 -10.0799 -9.6473 -9.6473 -9.6473 -9.6473 -9.4940 -9.4940 -9.4940 -9.4940 -9.2479 -9.2479 -9.2479 -9.2479 -3.8191 -3.8191 -3.8190 -3.8190 -3.5307 -3.5307 -3.5298 -3.5298 -2.2334 -2.2334 -2.2270 -2.2270 -1.9745 -1.9745 -1.9697 -1.9697 -1.6719 -1.6719 -1.6697 -1.6697 -0.7610 -0.7610 -0.7598 -0.7598 -0.4597 -0.4597 -0.4582 -0.4582 -0.4201 -0.4201 k = 0.0831 0.1067 0.6917 ( 9536 PWs) bands (ev): -10.0863 -10.0863 -10.0863 -10.0863 -9.6448 -9.6448 -9.6448 -9.6448 -9.4850 -9.4850 -9.4850 -9.4850 -9.2509 -9.2509 -9.2509 -9.2509 -3.8308 -3.8308 -3.8307 -3.8307 -3.5349 -3.5349 -3.5341 -3.5341 -2.2429 -2.2429 -2.2378 -2.2378 -1.9505 -1.9505 -1.9469 -1.9469 -1.6623 -1.6623 -1.6604 -1.6604 -0.7931 -0.7931 -0.7920 -0.7920 -0.4547 -0.4547 -0.4532 -0.4532 -0.4181 -0.4181 k = 0.0693 0.0889 0.6917 ( 9548 PWs) bands (ev): -10.0918 -10.0918 -10.0918 -10.0918 -9.6427 -9.6427 -9.6427 -9.6427 -9.4769 -9.4769 -9.4769 -9.4769 -9.2539 -9.2539 -9.2539 -9.2539 -3.8409 -3.8409 -3.8408 -3.8408 -3.5387 -3.5387 -3.5380 -3.5380 -2.2515 -2.2515 -2.2474 -2.2474 -1.9269 -1.9269 -1.9241 -1.9241 -1.6545 -1.6545 -1.6528 -1.6528 -0.8230 -0.8230 -0.8220 -0.8220 -0.4508 -0.4508 -0.4493 -0.4493 -0.4159 -0.4158 k = 0.0554 0.0711 0.6917 ( 9544 PWs) bands (ev): -10.0963 -10.0963 -10.0963 -10.0963 -9.6410 -9.6410 -9.6410 -9.6410 -9.4698 -9.4698 -9.4698 -9.4698 -9.2568 -9.2568 -9.2568 -9.2568 -3.8492 -3.8492 -3.8491 -3.8491 -3.5420 -3.5420 -3.5414 -3.5414 -2.2587 -2.2587 -2.2556 -2.2556 -1.9048 -1.9048 -1.9028 -1.9028 -1.6486 -1.6486 -1.6471 -1.6471 -0.8496 -0.8496 -0.8488 -0.8488 -0.4479 -0.4479 -0.4466 -0.4466 -0.4137 -0.4135 k = 0.0416 0.0533 0.6917 ( 9548 PWs) bands (ev): -10.0998 -10.0998 -10.0998 -10.0998 -9.6396 -9.6396 -9.6396 -9.6396 -9.4640 -9.4640 -9.4640 -9.4640 -9.2593 -9.2593 -9.2593 -9.2593 -3.8557 -3.8557 -3.8557 -3.8557 -3.5446 -3.5446 -3.5442 -3.5442 -2.2645 -2.2645 -2.2622 -2.2622 -1.8857 -1.8857 -1.8843 -1.8843 -1.6443 -1.6443 -1.6432 -1.6432 -0.8717 -0.8717 -0.8711 -0.8711 -0.4458 -0.4458 -0.4447 -0.4447 -0.4116 -0.4116 k = 0.0277 0.0356 0.6917 ( 9556 PWs) bands (ev): -10.1023 -10.1023 -10.1023 -10.1023 -9.6386 -9.6386 -9.6386 -9.6386 -9.4597 -9.4597 -9.4596 -9.4596 -9.2613 -9.2613 -9.2613 -9.2613 -3.8604 -3.8604 -3.8604 -3.8604 -3.5465 -3.5465 -3.5462 -3.5462 -2.2686 -2.2686 -2.2671 -2.2671 -1.8706 -1.8706 -1.8698 -1.8698 -1.6416 -1.6416 -1.6408 -1.6408 -0.8883 -0.8883 -0.8879 -0.8879 -0.4443 -0.4443 -0.4435 -0.4435 -0.4101 -0.4100 k = 0.0139 0.0178 0.6917 ( 9554 PWs) bands (ev): -10.1039 -10.1039 -10.1039 -10.1039 -9.6380 -9.6380 -9.6380 -9.6380 -9.4570 -9.4570 -9.4570 -9.4570 -9.2626 -9.2626 -9.2626 -9.2626 -3.8632 -3.8632 -3.8632 -3.8632 -3.5476 -3.5476 -3.5475 -3.5475 -2.2709 -2.2709 -2.2702 -2.2702 -1.8610 -1.8610 -1.8606 -1.8606 -1.6401 -1.6401 -1.6397 -1.6397 -0.8986 -0.8986 -0.8983 -0.8983 -0.4433 -0.4433 -0.4429 -0.4429 -0.4090 -0.4089 k = 0.0000 0.0000 0.6917 ( 9546 PWs) bands (ev): -10.1044 -10.1044 -10.1044 -10.1044 -9.6378 -9.6378 -9.6378 -9.6378 -9.4561 -9.4561 -9.4561 -9.4561 -9.2630 -9.2630 -9.2630 -9.2630 -3.8642 -3.8642 -3.8642 -3.8642 -3.5479 -3.5479 -3.5479 -3.5479 -2.2715 -2.2715 -2.2715 -2.2715 -1.8575 -1.8575 -1.8575 -1.8575 -1.6395 -1.6395 -1.6395 -1.6395 -0.9020 -0.9020 -0.9020 -0.9020 -0.4428 -0.4428 -0.4428 -0.4428 -0.4086 -0.4086 k = 0.0000 0.0000 0.6917 ( 9546 PWs) bands (ev): -10.1044 -10.1044 -10.1044 -10.1044 -9.6378 -9.6378 -9.6378 -9.6378 -9.4561 -9.4561 -9.4561 -9.4561 -9.2630 -9.2630 -9.2630 -9.2630 -3.8642 -3.8642 -3.8642 -3.8642 -3.5479 -3.5479 -3.5479 -3.5479 -2.2715 -2.2715 -2.2715 -2.2715 -1.8575 -1.8575 -1.8575 -1.8575 -1.6395 -1.6395 -1.6395 -1.6395 -0.9020 -0.9020 -0.9020 -0.9020 -0.4428 -0.4428 -0.4428 -0.4428 -0.4086 -0.4086 k = 0.0000 0.0000 0.6687 ( 9554 PWs) bands (ev): -10.1448 -10.1448 -10.0633 -10.0633 -9.6426 -9.6426 -9.6339 -9.6339 -9.4650 -9.4650 -9.4473 -9.4473 -9.2747 -9.2747 -9.2506 -9.2506 -3.8796 -3.8796 -3.8468 -3.8468 -3.5649 -3.5649 -3.5297 -3.5297 -2.2881 -2.2881 -2.2555 -2.2555 -1.8848 -1.8848 -1.8276 -1.8276 -1.7058 -1.7058 -1.5701 -1.5701 -0.9151 -0.9151 -0.8879 -0.8879 -0.4463 -0.4463 -0.4433 -0.4433 -0.4243 -0.4243 k = 0.0000 0.0000 0.6456 ( 9542 PWs) bands (ev): -10.1847 -10.1847 -10.0218 -10.0218 -9.6483 -9.6483 -9.6309 -9.6309 -9.4741 -9.4741 -9.4388 -9.4388 -9.2856 -9.2856 -9.2375 -9.2375 -3.8929 -3.8929 -3.8277 -3.8277 -3.5807 -3.5807 -3.5102 -3.5102 -2.3046 -2.3046 -2.2414 -2.2414 -1.9094 -1.9094 -1.7963 -1.7963 -1.7660 -1.7660 -1.4993 -1.4993 -0.9266 -0.9266 -0.8733 -0.8733 -0.4583 -0.4583 -0.4459 -0.4459 -0.4345 -0.4345 k = 0.0000 0.0000 0.6226 ( 9556 PWs) bands (ev): -10.2237 -10.2237 -9.9800 -9.9800 -9.6548 -9.6548 -9.6287 -9.6287 -9.4833 -9.4833 -9.4304 -9.4304 -9.2957 -9.2957 -9.2239 -9.2239 -3.9042 -3.9042 -3.8070 -3.8070 -3.5955 -3.5955 -3.4891 -3.4891 -2.3206 -2.3206 -2.2314 -2.2314 -1.9310 -1.9310 -1.8221 -1.8221 -1.7595 -1.7595 -1.4286 -1.4286 -0.9356 -0.9356 -0.8585 -0.8585 -0.4777 -0.4777 -0.4500 -0.4500 -0.4405 -0.4405 k = 0.0000 0.0000 0.5995 ( 9572 PWs) bands (ev): -10.2619 -10.2619 -9.9380 -9.9380 -9.6620 -9.6620 -9.6273 -9.6273 -9.4926 -9.4926 -9.4224 -9.4224 -9.3049 -9.3049 -9.2098 -9.2098 -3.9132 -3.9132 -3.7850 -3.7850 -3.6095 -3.6095 -3.4665 -3.4665 -2.3356 -2.3356 -2.2283 -2.2283 -1.9495 -1.9495 -1.8645 -1.8645 -1.7234 -1.7234 -1.3603 -1.3603 -0.9403 -0.9403 -0.8437 -0.8437 -0.5006 -0.5006 -0.4552 -0.4552 -0.4467 -0.4467 k = 0.0000 0.0000 0.5765 ( 9580 PWs) bands (ev): -10.2993 -10.2993 -9.8961 -9.8961 -9.6697 -9.6697 -9.6266 -9.6266 -9.5020 -9.5020 -9.4146 -9.4146 -9.3133 -9.3133 -9.1953 -9.1953 -3.9200 -3.9200 -3.7620 -3.7620 -3.6227 -3.6227 -3.4422 -3.4422 -2.3495 -2.3495 -2.2354 -2.2354 -1.9648 -1.9648 -1.8924 -1.8924 -1.6853 -1.6853 -1.2977 -1.2977 -0.9380 -0.9380 -0.8292 -0.8292 -0.5261 -0.5261 -0.4613 -0.4613 -0.4542 -0.4542 k = 0.0000 0.0000 0.5534 ( 9578 PWs) bands (ev): -10.3356 -10.3356 -9.8546 -9.8546 -9.6777 -9.6777 -9.6266 -9.6266 -9.5113 -9.5113 -9.4071 -9.4071 -9.3208 -9.3208 -9.1806 -9.1806 -3.9245 -3.9245 -3.7383 -3.7383 -3.6352 -3.6352 -3.4160 -3.4160 -2.3622 -2.3622 -2.2541 -2.2541 -1.9767 -1.9767 -1.9037 -1.9037 -1.6459 -1.6459 -1.2453 -1.2453 -0.9243 -0.9243 -0.8150 -0.8150 -0.5540 -0.5540 -0.4682 -0.4682 -0.4633 -0.4633 k = 0.0000 0.0000 0.5303 ( 9574 PWs) bands (ev): -10.3708 -10.3708 -9.8144 -9.8144 -9.6851 -9.6851 -9.6272 -9.6272 -9.5207 -9.5207 -9.3998 -9.3998 -9.3276 -9.3276 -9.1658 -9.1658 -3.9268 -3.9268 -3.7143 -3.7143 -3.6472 -3.6472 -3.3880 -3.3880 -2.3737 -2.3737 -2.2828 -2.2828 -1.9851 -1.9851 -1.8996 -1.8996 -1.6057 -1.6057 -1.2079 -1.2079 -0.8948 -0.8948 -0.8014 -0.8014 -0.5845 -0.5845 -0.4758 -0.4758 -0.4743 -0.4738 k = 0.0000 0.0000 0.5073 ( 9560 PWs) bands (ev): -10.4049 -10.4049 -9.7777 -9.7777 -9.6897 -9.6897 -9.6283 -9.6283 -9.5299 -9.5299 -9.3929 -9.3929 -9.3336 -9.3336 -9.1510 -9.1510 -3.9268 -3.9268 -3.6906 -3.6906 -3.6588 -3.6588 -3.3581 -3.3581 -2.3840 -2.3840 -2.3173 -2.3173 -1.9898 -1.9898 -1.8836 -1.8836 -1.5650 -1.5650 -1.1872 -1.1872 -0.8482 -0.8482 -0.7884 -0.7884 -0.6176 -0.6176 -0.4891 -0.4891 -0.4841 -0.4839 k = 0.0000 0.0000 0.4842 ( 9560 PWs) bands (ev): -10.4379 -10.4379 -9.7514 -9.7514 -9.6846 -9.6846 -9.6299 -9.6299 -9.5391 -9.5391 -9.3864 -9.3864 -9.3389 -9.3389 -9.1362 -9.1362 -3.9247 -3.9247 -3.6700 -3.6700 -3.6677 -3.6677 -3.3261 -3.3261 -2.3931 -2.3931 -2.3533 -2.3533 -1.9910 -1.9910 -1.8592 -1.8592 -1.5245 -1.5245 -1.1805 -1.1805 -0.7880 -0.7880 -0.7763 -0.7763 -0.6533 -0.6533 -0.5089 -0.5089 -0.4949 -0.4934 k = 0.0000 0.0000 0.4612 ( 9570 PWs) bands (ev): -10.4697 -10.4697 -9.7443 -9.7443 -9.6610 -9.6610 -9.6319 -9.6319 -9.5482 -9.5482 -9.3801 -9.3801 -9.3436 -9.3436 -9.1215 -9.1215 -3.9204 -3.9204 -3.6808 -3.6808 -3.6465 -3.6465 -3.2921 -3.2921 -2.4019 -2.4019 -2.3870 -2.3870 -1.9887 -1.9887 -1.8288 -1.8288 -1.4851 -1.4851 -1.1832 -1.1832 -0.7652 -0.7652 -0.7195 -0.7195 -0.6910 -0.6910 -0.5346 -0.5346 -0.5099 -0.5098 k = 0.0000 0.0000 0.4381 ( 9580 PWs) bands (ev): -10.5001 -10.5001 -9.7491 -9.7491 -9.6341 -9.6341 -9.6264 -9.6264 -9.5571 -9.5571 -9.3743 -9.3743 -9.3477 -9.3477 -9.1072 -9.1072 -3.9142 -3.9142 -3.6913 -3.6913 -3.6274 -3.6274 -3.2560 -3.2560 -2.4210 -2.4210 -2.4051 -2.4051 -1.9829 -1.9829 -1.7941 -1.7941 -1.4477 -1.4477 -1.1922 -1.1922 -0.7554 -0.7554 -0.7299 -0.7299 -0.6505 -0.6505 -0.5675 -0.5675 -0.5230 -0.5230 k = 0.0000 0.0000 0.4150 ( 9572 PWs) bands (ev): -10.5293 -10.5293 -9.7578 -9.7578 -9.6367 -9.6367 -9.5886 -9.5886 -9.5658 -9.5658 -9.3687 -9.3687 -9.3513 -9.3513 -9.0931 -9.0931 -3.9059 -3.9059 -3.7016 -3.7016 -3.6115 -3.6115 -3.2178 -3.2178 -2.4452 -2.4452 -2.4113 -2.4113 -1.9737 -1.9737 -1.7561 -1.7561 -1.4139 -1.4139 -1.2057 -1.2057 -0.7687 -0.7687 -0.7470 -0.7470 -0.6357 -0.6357 -0.5590 -0.5590 -0.5359 -0.5359 k = 0.0000 0.0000 0.3920 ( 9584 PWs) bands (ev): -10.5571 -10.5571 -9.7679 -9.7679 -9.6394 -9.6394 -9.5743 -9.5743 -9.5504 -9.5504 -9.3635 -9.3635 -9.3543 -9.3543 -9.0795 -9.0795 -3.8959 -3.8959 -3.7116 -3.7116 -3.5992 -3.5992 -3.1775 -3.1775 -2.4630 -2.4630 -2.4157 -2.4157 -1.9612 -1.9612 -1.7155 -1.7155 -1.3858 -1.3858 -1.2229 -1.2229 -0.8052 -0.8052 -0.7410 -0.7410 -0.6817 -0.6817 -0.5499 -0.5499 -0.5445 -0.5445 k = 0.0000 0.0000 0.3689 ( 9587 PWs) bands (ev): -10.5835 -10.5835 -9.7784 -9.7784 -9.6423 -9.6423 -9.5825 -9.5825 -9.5128 -9.5128 -9.3586 -9.3586 -9.3568 -9.3568 -9.0663 -9.0663 -3.8842 -3.8842 -3.7214 -3.7214 -3.5912 -3.5912 -3.1350 -3.1350 -2.4727 -2.4727 -2.4189 -2.4189 -1.9455 -1.9455 -1.6730 -1.6730 -1.3659 -1.3659 -1.2434 -1.2434 -0.8368 -0.8368 -0.7382 -0.7382 -0.7313 -0.7313 -0.5629 -0.5629 -0.5574 -0.5574 k = 0.0000 0.0000 0.3459 ( 9579 PWs) bands (ev): -10.6084 -10.6084 -9.7890 -9.7890 -9.6453 -9.6453 -9.5904 -9.5904 -9.4763 -9.4763 -9.3586 -9.3586 -9.3541 -9.3541 -9.0537 -9.0537 -3.8711 -3.8711 -3.7309 -3.7309 -3.5878 -3.5878 -3.0904 -3.0904 -2.4736 -2.4736 -2.4210 -2.4210 -1.9269 -1.9269 -1.6287 -1.6287 -1.3576 -1.3576 -1.2673 -1.2673 -0.8604 -0.8604 -0.7785 -0.7785 -0.7403 -0.7403 -0.5765 -0.5765 -0.5697 -0.5697 k = 0.0000 0.0000 0.3228 ( 9579 PWs) bands (ev): -10.6320 -10.6320 -9.7995 -9.7995 -9.6483 -9.6483 -9.5979 -9.5979 -9.4417 -9.4417 -9.3595 -9.3595 -9.3499 -9.3499 -9.0417 -9.0417 -3.8566 -3.8566 -3.7401 -3.7401 -3.5891 -3.5891 -3.0437 -3.0437 -2.4655 -2.4655 -2.4221 -2.4221 -1.9054 -1.9054 -1.5833 -1.5833 -1.3633 -1.3633 -1.2948 -1.2948 -0.8731 -0.8731 -0.8213 -0.8213 -0.7510 -0.7510 -0.5901 -0.5901 -0.5804 -0.5804 k = 0.0000 0.0000 0.2998 ( 9587 PWs) bands (ev): -10.6540 -10.6540 -9.8097 -9.8097 -9.6513 -9.6513 -9.6051 -9.6051 -9.4105 -9.4105 -9.3581 -9.3581 -9.3461 -9.3461 -9.0303 -9.0303 -3.8412 -3.8412 -3.7490 -3.7490 -3.5947 -3.5947 -2.9949 -2.9949 -2.4487 -2.4487 -2.4221 -2.4221 -1.8814 -1.8814 -1.5369 -1.5369 -1.3842 -1.3842 -1.3256 -1.3256 -0.8744 -0.8744 -0.8588 -0.8588 -0.7744 -0.7744 -0.6034 -0.6034 -0.5954 -0.5954 k = 0.0000 0.0000 0.2767 ( 9581 PWs) bands (ev): -10.6744 -10.6744 -9.8194 -9.8194 -9.6542 -9.6542 -9.6119 -9.6119 -9.3877 -9.3877 -9.3497 -9.3497 -9.3425 -9.3425 -9.0196 -9.0196 -3.8249 -3.8249 -3.7575 -3.7575 -3.6041 -3.6041 -2.9441 -2.9441 -2.4269 -2.4269 -2.4176 -2.4176 -1.8551 -1.8551 -1.4900 -1.4900 -1.4187 -1.4187 -1.3594 -1.3594 -0.8908 -0.8908 -0.8656 -0.8656 -0.8128 -0.8128 -0.6162 -0.6162 -0.6126 -0.6126 k = 0.0000 0.0000 0.2536 ( 9577 PWs) bands (ev): -10.6934 -10.6934 -9.8287 -9.8287 -9.6571 -9.6571 -9.6182 -9.6182 -9.3787 -9.3787 -9.3393 -9.3393 -9.3290 -9.3290 -9.0096 -9.0096 -3.8081 -3.8081 -3.7655 -3.7655 -3.6165 -3.6165 -2.8913 -2.8913 -2.4219 -2.4219 -2.3877 -2.3877 -1.8268 -1.8268 -1.4646 -1.4646 -1.4433 -1.4433 -1.3949 -1.3949 -0.9173 -0.9173 -0.8639 -0.8639 -0.8497 -0.8497 -0.6282 -0.6282 -0.6213 -0.6213 k = 0.0000 0.0000 0.2306 ( 9587 PWs) bands (ev): -10.7107 -10.7107 -9.8373 -9.8373 -9.6598 -9.6598 -9.6241 -9.6241 -9.3766 -9.3766 -9.3364 -9.3364 -9.3033 -9.3033 -9.0004 -9.0004 -3.7910 -3.7910 -3.7731 -3.7731 -3.6312 -3.6312 -2.8366 -2.8366 -2.4197 -2.4197 -2.3470 -2.3470 -1.7971 -1.7971 -1.5181 -1.5181 -1.4367 -1.4367 -1.3926 -1.3926 -0.9389 -0.9389 -0.9236 -0.9236 -0.8302 -0.8302 -0.6396 -0.6396 -0.6305 -0.6305 k = 0.0000 0.0000 0.2075 ( 9589 PWs) bands (ev): -10.7265 -10.7265 -9.8453 -9.8453 -9.6624 -9.6624 -9.6295 -9.6295 -9.3764 -9.3764 -9.3338 -9.3338 -9.2777 -9.2777 -8.9920 -8.9920 -3.7801 -3.7801 -3.7741 -3.7741 -3.6471 -3.6471 -2.7799 -2.7799 -2.4171 -2.4171 -2.2998 -2.2998 -1.7662 -1.7662 -1.5775 -1.5775 -1.4743 -1.4743 -1.3471 -1.3471 -0.9896 -0.9896 -0.9557 -0.9557 -0.8097 -0.8097 -0.6516 -0.6516 -0.6502 -0.6502 k = 0.0000 0.0000 0.1845 ( 9585 PWs) bands (ev): -10.7407 -10.7407 -9.8526 -9.8526 -9.6648 -9.6648 -9.6344 -9.6344 -9.3767 -9.3767 -9.3315 -9.3315 -9.2537 -9.2537 -8.9844 -8.9844 -3.7865 -3.7865 -3.7576 -3.7576 -3.6636 -3.6636 -2.7215 -2.7215 -2.4142 -2.4142 -2.2470 -2.2470 -1.7349 -1.7349 -1.6410 -1.6410 -1.5124 -1.5124 -1.3016 -1.3016 -1.0593 -1.0593 -0.9690 -0.9690 -0.7903 -0.7903 -0.6746 -0.6746 -0.6601 -0.6601 k = 0.0000 0.0000 0.1614 ( 9591 PWs) bands (ev): -10.7532 -10.7532 -9.8592 -9.8592 -9.6670 -9.6670 -9.6388 -9.6388 -9.3773 -9.3773 -9.3295 -9.3295 -9.2319 -9.2319 -8.9777 -8.9777 -3.7923 -3.7923 -3.7419 -3.7419 -3.6797 -3.6797 -2.6615 -2.6615 -2.4109 -2.4109 -2.1894 -2.1894 -1.7075 -1.7075 -1.7034 -1.7034 -1.5490 -1.5490 -1.2577 -1.2577 -1.1319 -1.1319 -0.9792 -0.9792 -0.7738 -0.7737 -0.6994 -0.6994 -0.6690 -0.6690 k = 0.0000 0.0000 0.1383 ( 9587 PWs) bands (ev): -10.7641 -10.7641 -9.8649 -9.8649 -9.6689 -9.6689 -9.6426 -9.6426 -9.3778 -9.3778 -9.3278 -9.3278 -9.2126 -9.2126 -8.9718 -8.9718 -3.7975 -3.7975 -3.7274 -3.7274 -3.6950 -3.6950 -2.5998 -2.5998 -2.4075 -2.4075 -2.1277 -2.1277 -1.7754 -1.7754 -1.6736 -1.6736 -1.5827 -1.5827 -1.2184 -1.2184 -1.2042 -1.2042 -0.9869 -0.9869 -0.7607 -0.7607 -0.7251 -0.7251 -0.6770 -0.6770 k = 0.0000 0.0000 0.1153 ( 9571 PWs) bands (ev): -10.7733 -10.7733 -9.8698 -9.8698 -9.6706 -9.6706 -9.6458 -9.6458 -9.3783 -9.3783 -9.3264 -9.3264 -9.1959 -9.1959 -8.9668 -8.9668 -3.8019 -3.8019 -3.7144 -3.7144 -3.7087 -3.7087 -2.5366 -2.5366 -2.4041 -2.4041 -2.0628 -2.0628 -1.8446 -1.8446 -1.6472 -1.6472 -1.6112 -1.6112 -1.2832 -1.2832 -1.1770 -1.1770 -0.9926 -0.9926 -0.7518 -0.7518 -0.7501 -0.7501 -0.6839 -0.6839 k = 0.0000 0.0000 0.0922 ( 9583 PWs) bands (ev): -10.7809 -10.7809 -9.8739 -9.8739 -9.6720 -9.6720 -9.6485 -9.6485 -9.3788 -9.3788 -9.3252 -9.3252 -9.1821 -9.1821 -8.9627 -8.9627 -3.8056 -3.8056 -3.7206 -3.7206 -3.7032 -3.7032 -2.4723 -2.4723 -2.4008 -2.4008 -1.9955 -1.9955 -1.9144 -1.9144 -1.6459 -1.6459 -1.6130 -1.6130 -1.3594 -1.3594 -1.1431 -1.1431 -0.9967 -0.9967 -0.7745 -0.7745 -0.7450 -0.7450 -0.6897 -0.6897 k = 0.0000 0.0000 0.0692 ( 9587 PWs) bands (ev): -10.7868 -10.7868 -9.8771 -9.8771 -9.6731 -9.6731 -9.6506 -9.6506 -9.3791 -9.3791 -9.3243 -9.3243 -9.1713 -9.1713 -8.9595 -8.9595 -3.8084 -3.8084 -3.7302 -3.7302 -3.6941 -3.6941 -2.4078 -2.4078 -2.3970 -2.3970 -1.9848 -1.9848 -1.9262 -1.9262 -1.6649 -1.6649 -1.5933 -1.5933 -1.4351 -1.4351 -1.1147 -1.1147 -0.9995 -0.9995 -0.7954 -0.7954 -0.7410 -0.7410 -0.6943 -0.6943 k = 0.0000 0.0000 0.0461 ( 9597 PWs) bands (ev): -10.7910 -10.7910 -9.8794 -9.8794 -9.6739 -9.6739 -9.6522 -9.6522 -9.3794 -9.3794 -9.3236 -9.3236 -9.1635 -9.1635 -8.9572 -8.9572 -3.8105 -3.8105 -3.7372 -3.7372 -3.6875 -3.6875 -2.3961 -2.3961 -2.3406 -2.3406 -2.0538 -2.0538 -1.8583 -1.8583 -1.6802 -1.6802 -1.5769 -1.5769 -1.5082 -1.5082 -1.0931 -1.0931 -1.0013 -1.0013 -0.8116 -0.8116 -0.7387 -0.7387 -0.6976 -0.6976 k = 0.0000 0.0000 0.0231 ( 9593 PWs) bands (ev): -10.7935 -10.7935 -9.8807 -9.8807 -9.6743 -9.6743 -9.6531 -9.6531 -9.3795 -9.3795 -9.3232 -9.3232 -9.1587 -9.1587 -8.9558 -8.9558 -3.8118 -3.8118 -3.7415 -3.7415 -3.6834 -3.6834 -2.3946 -2.3946 -2.2764 -2.2764 -2.1202 -2.1202 -1.7970 -1.7970 -1.6895 -1.6895 -1.5733 -1.5733 -1.5658 -1.5658 -1.0795 -1.0795 -1.0023 -1.0023 -0.8220 -0.8220 -0.7375 -0.7375 -0.6997 -0.6997 k = 0.0000 0.0000 0.0000 ( 9593 PWs) bands (ev): -10.7944 -10.7944 -9.8812 -9.8812 -9.6745 -9.6745 -9.6534 -9.6534 -9.3796 -9.3796 -9.3231 -9.3231 -9.1572 -9.1572 -8.9553 -8.9553 -3.8122 -3.8122 -3.7429 -3.7429 -3.6820 -3.6820 -2.3941 -2.3941 -2.2341 -2.2341 -2.1631 -2.1631 -1.7663 -1.7663 -1.6924 -1.6924 -1.6049 -1.6049 -1.5626 -1.5626 -1.0749 -1.0749 -1.0027 -1.0027 -0.8256 -0.8256 -0.7371 -0.7371 -0.7003 -0.7003 k = 0.0000 0.0000 0.0000 ( 9593 PWs) bands (ev): -10.7944 -10.7944 -9.8812 -9.8812 -9.6745 -9.6745 -9.6534 -9.6534 -9.3796 -9.3796 -9.3231 -9.3231 -9.1572 -9.1572 -8.9553 -8.9553 -3.8122 -3.8122 -3.7429 -3.7429 -3.6820 -3.6820 -2.3941 -2.3941 -2.2341 -2.2341 -2.1631 -2.1631 -1.7663 -1.7663 -1.6924 -1.6924 -1.6049 -1.6049 -1.5626 -1.5626 -1.0749 -1.0749 -1.0027 -1.0027 -0.8256 -0.8256 -0.7371 -0.7371 -0.7003 -0.7003 k =-0.0179 0.0139 0.0000 ( 9609 PWs) bands (ev): -10.7937 -10.7937 -9.8823 -9.8823 -9.6746 -9.6746 -9.6539 -9.6539 -9.3802 -9.3802 -9.3226 -9.3226 -9.1570 -9.1570 -8.9547 -8.9547 -3.8118 -3.8118 -3.7424 -3.7424 -3.6809 -3.6809 -2.3935 -2.3935 -2.2346 -2.2346 -2.1625 -2.1625 -1.7649 -1.7649 -1.6965 -1.6965 -1.6038 -1.6038 -1.5618 -1.5618 -1.0747 -1.0747 -1.0022 -1.0022 -0.8248 -0.8248 -0.7381 -0.7381 -0.7039 -0.7039 k =-0.0357 0.0278 0.0000 ( 9609 PWs) bands (ev): -10.7915 -10.7915 -9.8853 -9.8853 -9.6748 -9.6748 -9.6555 -9.6555 -9.3819 -9.3819 -9.3210 -9.3210 -9.1565 -9.1565 -8.9529 -8.9529 -3.8105 -3.8105 -3.7407 -3.7407 -3.6777 -3.6777 -2.3914 -2.3914 -2.2359 -2.2359 -2.1607 -2.1607 -1.7607 -1.7607 -1.7075 -1.7075 -1.6015 -1.6015 -1.5594 -1.5594 -1.0741 -1.0741 -1.0005 -1.0005 -0.8224 -0.8224 -0.7410 -0.7410 -0.7139 -0.7139 k =-0.0536 0.0417 0.0000 ( 9601 PWs) bands (ev): -10.7880 -10.7880 -9.8903 -9.8903 -9.6756 -9.6756 -9.6580 -9.6580 -9.3846 -9.3846 -9.3183 -9.3183 -9.1558 -9.1558 -8.9501 -8.9501 -3.8084 -3.8084 -3.7378 -3.7378 -3.6725 -3.6725 -2.3879 -2.3879 -2.2381 -2.2381 -2.1576 -2.1576 -1.7539 -1.7539 -1.7232 -1.7232 -1.6002 -1.6002 -1.5556 -1.5556 -1.0732 -1.0732 -0.9973 -0.9973 -0.8184 -0.8184 -0.7459 -0.7459 -0.7289 -0.7289 k =-0.0714 0.0557 0.0000 ( 9593 PWs) bands (ev): -10.7830 -10.7830 -9.8968 -9.8968 -9.6774 -9.6774 -9.6615 -9.6615 -9.3877 -9.3877 -9.3148 -9.3148 -9.1547 -9.1547 -8.9463 -8.9463 -3.8054 -3.8054 -3.7339 -3.7339 -3.6651 -3.6651 -2.3829 -2.3829 -2.2410 -2.2410 -2.1533 -2.1533 -1.7488 -1.7488 -1.7379 -1.7379 -1.6016 -1.6016 -1.5506 -1.5506 -1.0719 -1.0719 -0.9920 -0.9920 -0.8130 -0.8130 -0.7536 -0.7536 -0.7468 -0.7468 k =-0.0893 0.0696 0.0000 ( 9589 PWs) bands (ev): -10.7767 -10.7767 -9.9048 -9.9048 -9.6807 -9.6807 -9.6658 -9.6658 -9.3908 -9.3908 -9.3104 -9.3104 -9.1533 -9.1533 -8.9418 -8.9418 -3.8017 -3.8017 -3.7288 -3.7288 -3.6558 -3.6558 -2.3764 -2.3764 -2.2447 -2.2447 -2.1478 -2.1478 -1.7658 -1.7658 -1.7298 -1.7298 -1.6066 -1.6066 -1.5445 -1.5445 -1.0702 -1.0702 -0.9841 -0.9841 -0.8061 -0.8061 -0.7712 -0.7712 -0.7595 -0.7595 k =-0.1071 0.0835 0.0000 ( 9585 PWs) bands (ev): -10.7689 -10.7689 -9.9138 -9.9138 -9.6861 -9.6861 -9.6708 -9.6708 -9.3935 -9.3935 -9.3053 -9.3053 -9.1516 -9.1516 -8.9367 -8.9367 -3.7972 -3.7972 -3.7227 -3.7227 -3.6447 -3.6447 -2.3683 -2.3683 -2.2491 -2.2491 -2.1411 -2.1411 -1.7880 -1.7880 -1.7154 -1.7154 -1.6158 -1.6158 -1.5373 -1.5373 -1.0681 -1.0681 -0.9732 -0.9732 -0.7980 -0.7980 -0.7952 -0.7952 -0.7699 -0.7699 k =-0.1250 0.0974 0.0000 ( 9577 PWs) bands (ev): -10.7598 -10.7598 -9.9237 -9.9237 -9.6939 -9.6939 -9.6764 -9.6764 -9.3952 -9.3952 -9.2995 -9.2995 -9.1496 -9.1496 -8.9313 -8.9313 -3.7920 -3.7920 -3.7156 -3.7156 -3.6317 -3.6317 -2.3586 -2.3586 -2.2541 -2.2541 -2.1332 -2.1332 -1.8113 -1.8113 -1.6986 -1.6986 -1.6292 -1.6292 -1.5292 -1.5292 -1.0656 -1.0656 -0.9593 -0.9593 -0.8216 -0.8216 -0.7885 -0.7885 -0.7814 -0.7814 k =-0.1429 0.1113 0.0000 ( 9571 PWs) bands (ev): -10.7493 -10.7493 -9.9341 -9.9341 -9.7046 -9.7046 -9.6825 -9.6825 -9.3958 -9.3958 -9.2933 -9.2933 -9.1474 -9.1474 -8.9256 -8.9256 -3.7862 -3.7862 -3.7076 -3.7076 -3.6171 -3.6171 -2.3471 -2.3471 -2.2597 -2.2597 -2.1241 -2.1241 -1.8352 -1.8352 -1.6800 -1.6800 -1.6463 -1.6463 -1.5204 -1.5204 -1.0628 -1.0628 -0.9423 -0.9423 -0.8496 -0.8496 -0.7946 -0.7946 -0.7779 -0.7779 k =-0.1607 0.1252 0.0000 ( 9557 PWs) bands (ev): -10.7374 -10.7374 -9.9450 -9.9450 -9.7182 -9.7182 -9.6889 -9.6889 -9.3948 -9.3948 -9.2867 -9.2867 -9.1449 -9.1449 -8.9199 -8.9199 -3.7797 -3.7797 -3.6986 -3.6986 -3.6010 -3.6010 -2.3338 -2.3338 -2.2657 -2.2657 -2.1138 -2.1138 -1.8592 -1.8592 -1.6699 -1.6699 -1.6565 -1.6565 -1.5110 -1.5110 -1.0600 -1.0600 -0.9225 -0.9225 -0.8787 -0.8787 -0.8090 -0.8090 -0.7665 -0.7665 k =-0.1786 0.1391 0.0000 ( 9559 PWs) bands (ev): -10.7242 -10.7242 -9.9560 -9.9560 -9.7347 -9.7347 -9.6956 -9.6956 -9.3925 -9.3925 -9.2799 -9.2799 -9.1421 -9.1421 -8.9143 -8.9143 -3.7727 -3.7727 -3.6888 -3.6888 -3.5836 -3.5836 -2.3187 -2.3187 -2.2720 -2.2720 -2.1024 -2.1024 -1.8833 -1.8833 -1.6919 -1.6919 -1.6360 -1.6360 -1.5015 -1.5015 -1.0575 -1.0575 -0.9082 -0.9082 -0.9002 -0.9002 -0.8247 -0.8247 -0.7542 -0.7542 k =-0.1964 0.1530 0.0000 ( 9559 PWs) bands (ev): -10.7097 -10.7097 -9.9672 -9.9672 -9.7540 -9.7540 -9.7024 -9.7024 -9.3889 -9.3889 -9.2729 -9.2729 -9.1391 -9.1391 -8.9089 -8.9089 -3.7653 -3.7653 -3.6782 -3.6782 -3.5650 -3.5650 -2.3017 -2.3017 -2.2787 -2.2787 -2.0898 -2.0898 -1.9073 -1.9073 -1.7174 -1.7174 -1.6130 -1.6130 -1.4920 -1.4920 -1.0566 -1.0566 -0.9360 -0.9360 -0.8762 -0.8762 -0.8419 -0.8419 -0.7415 -0.7415 k =-0.2143 0.1670 0.0000 ( 9563 PWs) bands (ev): -10.6939 -10.6939 -9.9784 -9.9784 -9.7757 -9.7757 -9.7092 -9.7092 -9.3842 -9.3842 -9.2659 -9.2659 -9.1359 -9.1359 -8.9038 -8.9038 -3.7574 -3.7574 -3.6670 -3.6670 -3.5454 -3.5454 -2.2856 -2.2856 -2.2826 -2.2826 -2.0762 -2.0762 -1.9311 -1.9311 -1.7443 -1.7443 -1.5892 -1.5892 -1.4830 -1.4830 -1.0598 -1.0598 -0.9597 -0.9597 -0.8607 -0.8607 -0.8505 -0.8505 -0.7452 -0.7452 k =-0.2321 0.1809 0.0000 ( 9551 PWs) bands (ev): -10.6768 -10.6768 -9.9895 -9.9895 -9.7995 -9.7995 -9.7160 -9.7160 -9.3787 -9.3787 -9.2589 -9.2589 -9.1325 -9.1325 -8.8991 -8.8991 -3.7493 -3.7493 -3.6552 -3.6552 -3.5251 -3.5251 -2.2923 -2.2923 -2.2619 -2.2619 -2.0616 -2.0616 -1.9547 -1.9547 -1.7719 -1.7719 -1.5650 -1.5650 -1.4747 -1.4747 -1.0710 -1.0710 -0.9748 -0.9748 -0.8809 -0.8809 -0.8239 -0.8239 -0.7568 -0.7568 k =-0.2500 0.1948 0.0000 ( 9555 PWs) bands (ev): -10.6585 -10.6585 -10.0005 -10.0005 -9.8249 -9.8249 -9.7227 -9.7227 -9.3727 -9.3727 -9.2520 -9.2520 -9.1290 -9.1290 -8.8948 -8.8948 -3.7410 -3.7410 -3.6430 -3.6430 -3.5043 -3.5043 -2.2992 -2.2992 -2.2391 -2.2391 -2.0462 -2.0462 -1.9778 -1.9778 -1.7996 -1.7996 -1.5410 -1.5410 -1.4675 -1.4675 -1.0919 -1.0919 -0.9792 -0.9792 -0.9027 -0.9027 -0.7966 -0.7966 -0.7652 -0.7652 k =-0.2679 0.2087 0.0000 ( 9561 PWs) bands (ev): -10.6390 -10.6390 -10.0114 -10.0114 -9.8518 -9.8518 -9.7291 -9.7291 -9.3663 -9.3663 -9.2454 -9.2454 -9.1253 -9.1253 -8.8909 -8.8909 -3.7325 -3.7325 -3.6305 -3.6305 -3.4832 -3.4832 -2.3060 -2.3060 -2.2144 -2.2144 -2.0305 -2.0305 -2.0002 -2.0002 -1.8266 -1.8266 -1.5179 -1.5179 -1.4616 -1.4616 -1.1192 -1.1192 -0.9756 -0.9756 -0.9258 -0.9258 -0.7703 -0.7703 -0.7685 -0.7685 k =-0.2857 0.2226 0.0000 ( 9563 PWs) bands (ev): -10.6184 -10.6184 -10.0222 -10.0222 -9.8795 -9.8795 -9.7354 -9.7354 -9.3597 -9.3597 -9.2390 -9.2390 -9.1216 -9.1216 -8.8874 -8.8874 -3.7241 -3.7241 -3.6178 -3.6178 -3.4621 -3.4621 -2.3126 -2.3126 -2.1879 -2.1879 -2.0269 -2.0269 -2.0093 -2.0093 -1.8527 -1.8527 -1.4963 -1.4963 -1.4573 -1.4573 -1.1490 -1.1490 -0.9674 -0.9674 -0.9498 -0.9498 -0.7705 -0.7705 -0.7414 -0.7414 k =-0.3036 0.2365 0.0000 ( 9560 PWs) bands (ev): -10.5965 -10.5965 -10.0331 -10.0331 -9.9076 -9.9076 -9.7413 -9.7413 -9.3533 -9.3533 -9.2329 -9.2329 -9.1178 -9.1178 -8.8844 -8.8844 -3.7158 -3.7158 -3.6050 -3.6050 -3.4412 -3.4412 -2.3189 -2.3189 -2.1597 -2.1597 -2.0473 -2.0473 -1.9934 -1.9934 -1.8772 -1.8772 -1.4776 -1.4776 -1.4544 -1.4544 -1.1786 -1.1786 -0.9754 -0.9754 -0.9554 -0.9554 -0.7670 -0.7670 -0.7146 -0.7139 k =-0.3214 0.2504 0.0000 ( 9570 PWs) bands (ev): -10.5737 -10.5737 -10.0445 -10.0445 -9.9355 -9.9355 -9.7468 -9.7468 -9.3470 -9.3470 -9.2272 -9.2272 -9.1141 -9.1141 -8.8818 -8.8818 -3.7078 -3.7078 -3.5925 -3.5925 -3.4208 -3.4208 -2.3249 -2.3249 -2.1301 -2.1301 -2.0685 -2.0685 -1.9755 -1.9755 -1.8999 -1.8999 -1.4638 -1.4638 -1.4524 -1.4524 -1.2055 -1.2055 -1.0002 -1.0002 -0.9426 -0.9426 -0.7594 -0.7594 -0.7355 -0.7355 k =-0.3393 0.2644 0.0000 ( 9568 PWs) bands (ev): -10.5498 -10.5498 -10.0571 -10.0571 -9.9623 -9.9623 -9.7520 -9.7520 -9.3411 -9.3411 -9.2218 -9.2218 -9.1104 -9.1104 -8.8796 -8.8796 -3.7000 -3.7000 -3.5802 -3.5802 -3.4011 -3.4011 -2.3306 -2.3306 -2.1022 -2.1022 -2.0861 -2.0861 -1.9572 -1.9572 -1.9206 -1.9206 -1.4588 -1.4588 -1.4496 -1.4496 -1.2272 -1.2272 -1.0250 -1.0250 -0.9290 -0.9290 -0.7631 -0.7631 -0.7477 -0.7477 k =-0.3571 0.2783 0.0000 ( 9566 PWs) bands (ev): -10.5249 -10.5249 -10.0718 -10.0718 -9.9867 -9.9867 -9.7567 -9.7567 -9.3356 -9.3356 -9.2170 -9.2170 -9.1069 -9.1069 -8.8777 -8.8777 -3.6927 -3.6927 -3.5685 -3.5685 -3.3826 -3.3826 -2.3358 -2.3358 -2.1117 -2.1117 -2.0641 -2.0641 -1.9391 -1.9391 -1.9388 -1.9388 -1.4605 -1.4605 -1.4500 -1.4500 -1.2411 -1.2411 -1.0491 -1.0491 -0.9169 -0.9169 -0.7911 -0.7911 -0.7324 -0.7324 k =-0.3750 0.2922 0.0000 ( 9572 PWs) bands (ev): -10.4991 -10.4991 -10.0900 -10.0900 -10.0072 -10.0072 -9.7609 -9.7609 -9.3305 -9.3305 -9.2126 -9.2126 -9.1036 -9.1036 -8.8763 -8.8763 -3.6860 -3.6860 -3.5575 -3.5575 -3.3654 -3.3654 -2.3405 -2.3405 -2.1300 -2.1300 -2.0312 -2.0312 -1.9552 -1.9552 -1.9211 -1.9211 -1.4669 -1.4669 -1.4568 -1.4568 -1.2458 -1.2458 -1.0721 -1.0721 -0.9109 -0.9109 -0.8143 -0.8143 -0.7136 -0.7136 k =-0.3929 0.3061 0.0000 ( 9576 PWs) bands (ev): -10.4724 -10.4724 -10.1123 -10.1123 -10.0228 -10.0228 -9.7646 -9.7646 -9.3261 -9.3261 -9.2088 -9.2088 -9.1006 -9.1006 -8.8751 -8.8751 -3.6800 -3.6800 -3.5475 -3.5475 -3.3498 -3.3498 -2.3447 -2.3447 -2.1472 -2.1472 -1.9974 -1.9974 -1.9691 -1.9691 -1.9039 -1.9039 -1.4824 -1.4824 -1.4637 -1.4637 -1.2420 -1.2420 -1.0934 -1.0934 -0.9192 -0.9192 -0.8237 -0.8237 -0.6917 -0.6917 k =-0.4107 0.3200 0.0000 ( 9578 PWs) bands (ev): -10.4451 -10.4451 -10.1381 -10.1381 -10.0342 -10.0342 -9.7678 -9.7678 -9.3223 -9.3223 -9.2055 -9.2055 -9.0979 -9.0979 -8.8742 -8.8742 -3.6747 -3.6747 -3.5385 -3.5385 -3.3361 -3.3361 -2.3483 -2.3483 -2.1625 -2.1625 -1.9808 -1.9808 -1.9636 -1.9636 -1.8881 -1.8881 -1.5054 -1.5054 -1.4692 -1.4692 -1.2321 -1.2321 -1.1125 -1.1125 -0.9421 -0.9421 -0.8177 -0.8177 -0.6685 -0.6674 k =-0.4286 0.3339 0.0000 ( 9576 PWs) bands (ev): -10.4172 -10.4172 -10.1661 -10.1661 -10.0422 -10.0422 -9.7704 -9.7704 -9.3191 -9.3191 -9.2028 -9.2028 -9.0956 -9.0956 -8.8735 -8.8735 -3.6702 -3.6702 -3.5309 -3.5309 -3.3245 -3.3245 -2.3513 -2.3513 -2.1756 -2.1756 -1.9902 -1.9902 -1.9309 -1.9309 -1.8739 -1.8739 -1.5315 -1.5315 -1.4742 -1.4742 -1.2186 -1.2186 -1.1290 -1.1290 -0.9709 -0.9709 -0.8044 -0.8044 -0.6849 -0.6849 k =-0.4464 0.3478 0.0000 ( 9580 PWs) bands (ev): -10.3891 -10.3891 -10.1951 -10.1951 -10.0478 -10.0478 -9.7725 -9.7725 -9.3166 -9.3166 -9.2006 -9.2006 -9.0938 -9.0938 -8.8730 -8.8730 -3.6666 -3.6666 -3.5248 -3.5248 -3.3152 -3.3152 -2.3536 -2.3536 -2.1861 -2.1861 -1.9975 -1.9975 -1.9007 -1.9007 -1.8619 -1.8619 -1.5577 -1.5577 -1.4787 -1.4787 -1.2034 -1.2034 -1.1423 -1.1423 -0.9998 -0.9998 -0.7886 -0.7886 -0.6991 -0.6991 k =-0.4643 0.3618 0.0000 ( 9592 PWs) bands (ev): -10.3614 -10.3614 -10.2236 -10.2236 -10.0515 -10.0515 -9.7740 -9.7740 -9.3148 -9.3148 -9.1991 -9.1991 -9.0924 -9.0924 -8.8727 -8.8727 -3.6640 -3.6640 -3.5203 -3.5203 -3.3085 -3.3085 -2.3553 -2.3553 -2.1938 -2.1938 -2.0027 -2.0027 -1.8752 -1.8752 -1.8525 -1.8525 -1.5810 -1.5810 -1.4822 -1.4822 -1.1882 -1.1882 -1.1522 -1.1522 -1.0253 -1.0253 -0.7726 -0.7726 -0.7127 -0.7127 k =-0.4821 0.3757 0.0000 ( 9600 PWs) bands (ev): -10.3364 -10.3364 -10.2493 -10.2493 -10.0536 -10.0536 -9.7749 -9.7749 -9.3138 -9.3138 -9.1982 -9.1982 -9.0916 -9.0916 -8.8725 -8.8725 -3.6625 -3.6625 -3.5176 -3.5176 -3.3044 -3.3044 -2.3563 -2.3563 -2.1985 -2.1985 -2.0057 -2.0057 -1.8581 -1.8581 -1.8458 -1.8458 -1.5977 -1.5977 -1.4845 -1.4845 -1.1760 -1.1760 -1.1582 -1.1582 -1.0439 -1.0439 -0.7575 -0.7575 -0.7258 -0.7258 k =-0.5000 0.3896 0.0000 ( 9590 PWs) bands (ev): -10.3237 -10.3237 -10.2623 -10.2623 -10.0543 -10.0543 -9.7752 -9.7752 -9.3134 -9.3134 -9.1979 -9.1979 -9.0913 -9.0913 -8.8725 -8.8725 -3.6620 -3.6620 -3.5167 -3.5167 -3.3030 -3.3030 -2.3567 -2.3567 -2.2001 -2.2001 -2.0068 -2.0068 -1.8527 -1.8527 -1.8427 -1.8427 -1.6039 -1.6039 -1.4853 -1.4853 -1.1710 -1.1710 -1.1603 -1.1603 -1.0511 -1.0511 -0.7475 -0.7475 -0.7350 -0.7350 k =-0.5000 0.3896 0.0000 ( 9590 PWs) bands (ev): -10.3237 -10.3237 -10.2623 -10.2623 -10.0543 -10.0543 -9.7752 -9.7752 -9.3134 -9.3134 -9.1979 -9.1979 -9.0913 -9.0913 -8.8725 -8.8725 -3.6620 -3.6620 -3.5167 -3.5167 -3.3030 -3.3030 -2.3567 -2.3567 -2.2001 -2.2001 -2.0068 -2.0068 -1.8527 -1.8527 -1.8427 -1.8427 -1.6039 -1.6039 -1.4853 -1.4853 -1.1710 -1.1710 -1.1603 -1.1603 -1.0511 -1.0511 -0.7475 -0.7475 -0.7350 -0.7350 k =-0.4860 0.4076-0.0000 ( 9592 PWs) bands (ev): -10.3236 -10.3236 -10.2618 -10.2618 -10.0587 -10.0587 -9.7702 -9.7702 -9.3135 -9.3135 -9.1980 -9.1980 -9.0917 -9.0917 -8.8729 -8.8729 -3.6632 -3.6632 -3.5166 -3.5166 -3.3035 -3.3035 -2.3635 -2.3635 -2.1994 -2.1994 -1.9980 -1.9980 -1.8524 -1.8524 -1.8429 -1.8429 -1.6017 -1.6017 -1.4881 -1.4881 -1.1694 -1.1694 -1.1604 -1.1604 -1.0520 -1.0520 -0.7556 -0.7556 -0.7317 -0.7317 k =-0.4719 0.4256-0.0000 ( 9582 PWs) bands (ev): -10.3233 -10.3233 -10.2602 -10.2602 -10.0709 -10.0709 -9.7560 -9.7560 -9.3139 -9.3139 -9.1984 -9.1984 -9.0927 -9.0927 -8.8743 -8.8743 -3.6669 -3.6669 -3.5165 -3.5165 -3.3049 -3.3049 -2.3821 -2.3821 -2.1973 -2.1973 -1.9734 -1.9734 -1.8526 -1.8526 -1.8424 -1.8424 -1.5950 -1.5950 -1.4961 -1.4961 -1.1647 -1.1647 -1.1606 -1.1606 -1.0547 -1.0547 -0.7767 -0.7767 -0.7221 -0.7221 k =-0.4579 0.4436-0.0000 ( 9584 PWs) bands (ev): -10.3231 -10.3231 -10.2576 -10.2576 -10.0885 -10.0885 -9.7349 -9.7349 -9.3145 -9.3145 -9.1990 -9.1990 -9.0945 -9.0945 -8.8766 -8.8766 -3.6730 -3.6730 -3.5164 -3.5164 -3.3074 -3.3074 -2.4086 -2.4086 -2.1937 -2.1937 -1.9372 -1.9372 -1.8554 -1.8554 -1.8392 -1.8392 -1.5841 -1.5841 -1.5092 -1.5092 -1.1610 -1.1610 -1.1565 -1.1565 -1.0591 -1.0591 -0.8053 -0.8053 -0.7070 -0.7070 k =-0.4439 0.4616-0.0000 ( 9590 PWs) bands (ev): -10.3234 -10.3234 -10.2539 -10.2539 -10.1091 -10.1091 -9.7090 -9.7090 -9.3154 -9.3154 -9.1998 -9.1998 -9.0970 -9.0970 -8.8798 -8.8798 -3.6813 -3.6813 -3.5164 -3.5164 -3.3107 -3.3107 -2.4392 -2.4392 -2.1888 -2.1888 -1.8929 -1.8929 -1.8607 -1.8607 -1.8331 -1.8331 -1.5696 -1.5696 -1.5266 -1.5266 -1.1608 -1.1608 -1.1454 -1.1454 -1.0650 -1.0650 -0.8377 -0.8377 -0.6871 -0.6871 k =-0.4298 0.4796-0.0000 ( 9588 PWs) bands (ev): -10.3247 -10.3247 -10.2492 -10.2492 -10.1304 -10.1304 -9.6800 -9.6800 -9.3165 -9.3165 -9.2009 -9.2009 -9.1002 -9.1002 -8.8839 -8.8839 -3.6915 -3.6915 -3.5165 -3.5165 -3.3151 -3.3151 -2.4712 -2.4712 -2.1825 -2.1825 -1.8684 -1.8684 -1.8426 -1.8426 -1.8248 -1.8248 -1.5543 -1.5543 -1.5454 -1.5454 -1.1603 -1.1603 -1.1309 -1.1309 -1.0718 -1.0718 -0.8714 -0.8714 -0.6646 -0.6637 k =-0.4158 0.4976-0.0000 ( 9600 PWs) bands (ev): -10.3280 -10.3280 -10.2434 -10.2434 -10.1503 -10.1503 -9.6492 -9.6492 -9.3178 -9.3178 -9.2023 -9.2023 -9.1040 -9.1040 -8.8889 -8.8889 -3.7033 -3.7033 -3.5168 -3.5168 -3.3205 -3.3205 -2.5031 -2.5031 -2.1749 -2.1749 -1.8772 -1.8772 -1.8155 -1.8155 -1.7884 -1.7884 -1.5733 -1.5733 -1.5302 -1.5302 -1.1600 -1.1600 -1.1132 -1.1132 -1.0786 -1.0786 -0.9053 -0.9053 -0.6859 -0.6859 k =-0.4018 0.5156-0.0000 ( 9594 PWs) bands (ev): -10.3345 -10.3345 -10.2367 -10.2367 -10.1668 -10.1668 -9.6172 -9.6172 -9.3194 -9.3194 -9.2038 -9.2038 -9.1084 -9.1084 -8.8948 -8.8948 -3.7164 -3.7164 -3.5176 -3.5176 -3.3269 -3.3269 -2.5336 -2.5336 -2.1659 -2.1659 -1.8878 -1.8878 -1.8044 -1.8044 -1.7318 -1.7318 -1.5995 -1.5995 -1.5076 -1.5076 -1.1611 -1.1611 -1.0923 -1.0923 -1.0841 -1.0841 -0.9383 -0.9383 -0.7074 -0.7073 k =-0.4018 0.5156-0.0000 ( 9594 PWs) bands (ev): -10.3345 -10.3345 -10.2367 -10.2367 -10.1668 -10.1668 -9.6172 -9.6172 -9.3194 -9.3194 -9.2038 -9.2038 -9.1084 -9.1084 -8.8948 -8.8948 -3.7164 -3.7164 -3.5176 -3.5176 -3.3269 -3.3269 -2.5336 -2.5336 -2.1659 -2.1659 -1.8878 -1.8878 -1.8044 -1.8044 -1.7318 -1.7318 -1.5995 -1.5995 -1.5076 -1.5076 -1.1611 -1.1611 -1.0923 -1.0923 -1.0841 -1.0841 -0.9383 -0.9383 -0.7074 -0.7073 k =-0.4018 0.5156 0.0231 ( 9598 PWs) bands (ev): -10.3339 -10.3339 -10.2360 -10.2360 -10.1661 -10.1661 -9.6169 -9.6169 -9.3200 -9.3200 -9.2042 -9.2042 -9.1093 -9.1093 -8.8958 -8.8958 -3.7161 -3.7161 -3.5184 -3.5184 -3.3270 -3.3270 -2.5348 -2.5348 -2.1664 -2.1664 -1.8878 -1.8878 -1.8146 -1.8146 -1.7259 -1.7259 -1.5954 -1.5954 -1.5064 -1.5064 -1.1571 -1.1571 -1.0930 -1.0930 -1.0846 -1.0846 -0.9444 -0.9444 -0.7007 -0.7007 k =-0.4018 0.5156 0.0461 ( 9596 PWs) bands (ev): -10.3320 -10.3320 -10.2340 -10.2340 -10.1640 -10.1640 -9.6158 -9.6158 -9.3218 -9.3218 -9.2055 -9.2055 -9.1120 -9.1120 -8.8988 -8.8988 -3.7154 -3.7154 -3.5208 -3.5208 -3.3272 -3.3272 -2.5384 -2.5384 -2.1681 -2.1681 -1.8877 -1.8877 -1.8390 -1.8390 -1.7125 -1.7125 -1.5845 -1.5845 -1.5028 -1.5028 -1.1462 -1.1462 -1.0949 -1.0949 -1.0856 -1.0856 -0.9606 -0.9606 -0.6831 -0.6831 k =-0.4018 0.5156 0.0692 ( 9594 PWs) bands (ev): -10.3288 -10.3288 -10.2307 -10.2307 -10.1605 -10.1605 -9.6141 -9.6141 -9.3250 -9.3250 -9.2076 -9.2076 -9.1163 -9.1163 -8.9037 -8.9037 -3.7141 -3.7141 -3.5247 -3.5247 -3.3276 -3.3276 -2.5445 -2.5445 -2.1707 -2.1707 -1.8879 -1.8879 -1.8699 -1.8699 -1.6957 -1.6957 -1.5701 -1.5701 -1.4972 -1.4972 -1.1323 -1.1323 -1.0981 -1.0981 -1.0832 -1.0832 -0.9826 -0.9826 -0.6599 -0.6598 k =-0.4018 0.5156 0.0922 ( 9589 PWs) bands (ev): -10.3243 -10.3243 -10.2260 -10.2260 -10.1556 -10.1556 -9.6117 -9.6117 -9.3294 -9.3294 -9.2105 -9.2105 -9.1224 -9.1224 -8.9105 -8.9105 -3.7123 -3.7123 -3.5299 -3.5299 -3.3283 -3.3283 -2.5532 -2.5532 -2.1741 -2.1741 -1.9051 -1.9051 -1.8865 -1.8865 -1.6760 -1.6760 -1.5550 -1.5550 -1.4903 -1.4903 -1.1249 -1.1249 -1.1026 -1.1026 -1.0687 -1.0687 -1.0065 -1.0065 -0.6387 -0.6387 k =-0.4018 0.5156 0.1153 ( 9588 PWs) bands (ev): -10.3186 -10.3186 -10.2201 -10.2201 -10.1494 -10.1494 -9.6087 -9.6087 -9.3351 -9.3351 -9.2142 -9.2142 -9.1303 -9.1303 -8.9192 -8.9192 -3.7099 -3.7099 -3.5364 -3.5364 -3.3292 -3.3292 -2.5646 -2.5646 -2.1781 -2.1781 -1.9395 -1.9395 -1.8865 -1.8865 -1.6536 -1.6536 -1.5407 -1.5407 -1.4829 -1.4829 -1.1270 -1.1270 -1.1083 -1.1083 -1.0401 -1.0401 -1.0289 -1.0289 -0.6328 -0.6328 k =-0.4018 0.5156 0.1383 ( 9596 PWs) bands (ev): -10.3116 -10.3116 -10.2128 -10.2128 -10.1418 -10.1418 -9.6050 -9.6050 -9.3421 -9.3421 -9.2185 -9.2185 -9.1397 -9.1397 -8.9297 -8.9297 -3.7069 -3.7069 -3.5438 -3.5438 -3.3304 -3.3304 -2.5789 -2.5789 -2.1825 -2.1825 -1.9732 -1.9732 -1.8861 -1.8861 -1.6292 -1.6292 -1.5276 -1.5276 -1.4762 -1.4762 -1.1330 -1.1330 -1.1155 -1.1155 -1.0496 -1.0496 -1.0017 -1.0017 -0.6469 -0.6469 k =-0.4018 0.5156 0.1614 ( 9596 PWs) bands (ev): -10.3034 -10.3034 -10.2042 -10.2042 -10.1328 -10.1328 -9.6006 -9.6006 -9.3505 -9.3505 -9.2236 -9.2236 -9.1508 -9.1508 -8.9420 -8.9420 -3.7033 -3.7033 -3.5519 -3.5519 -3.3320 -3.3320 -2.5963 -2.5963 -2.1871 -2.1871 -2.0049 -2.0049 -1.8855 -1.8855 -1.6046 -1.6046 -1.5151 -1.5151 -1.4713 -1.4713 -1.1394 -1.1394 -1.1248 -1.1248 -1.0637 -1.0637 -0.9598 -0.9597 -0.6688 -0.6688 k =-0.4018 0.5156 0.1845 ( 9584 PWs) bands (ev): -10.2939 -10.2939 -10.1943 -10.1943 -10.1224 -10.1224 -9.5956 -9.5956 -9.3602 -9.3602 -9.2293 -9.2293 -9.1635 -9.1635 -8.9560 -8.9560 -3.6991 -3.6991 -3.5606 -3.5606 -3.3340 -3.3340 -2.6168 -2.6168 -2.1917 -2.1917 -2.0337 -2.0337 -1.8846 -1.8846 -1.5836 -1.5836 -1.5003 -1.5003 -1.4693 -1.4693 -1.1443 -1.1443 -1.1366 -1.1366 -1.0706 -1.0706 -0.9156 -0.9156 -0.6915 -0.6915 k =-0.4018 0.5156 0.2075 ( 9586 PWs) bands (ev): -10.2833 -10.2833 -10.1832 -10.1832 -10.1108 -10.1108 -9.5900 -9.5900 -9.3714 -9.3714 -9.2357 -9.2357 -9.1778 -9.1778 -8.9715 -8.9715 -3.6941 -3.6941 -3.5694 -3.5694 -3.3365 -3.3365 -2.6403 -2.6403 -2.1962 -2.1962 -2.0591 -2.0591 -1.8835 -1.8835 -1.5716 -1.5716 -1.4794 -1.4794 -1.4701 -1.4701 -1.1510 -1.1510 -1.1462 -1.1462 -1.0698 -1.0698 -0.8711 -0.8711 -0.7127 -0.7127 k =-0.4018 0.5156 0.2306 ( 9586 PWs) bands (ev): -10.2715 -10.2715 -10.1709 -10.1709 -10.0978 -10.0978 -9.5838 -9.5838 -9.3839 -9.3839 -9.2427 -9.2427 -9.1935 -9.1935 -8.9886 -8.9886 -3.6883 -3.6883 -3.5783 -3.5783 -3.3395 -3.3395 -2.6669 -2.6669 -2.2005 -2.2005 -2.0806 -2.0806 -1.8820 -1.8820 -1.5707 -1.5707 -1.4771 -1.4771 -1.4476 -1.4476 -1.1662 -1.1662 -1.1449 -1.1449 -1.0621 -1.0621 -0.8284 -0.8284 -0.7312 -0.7312 k =-0.4018 0.5156 0.2536 ( 9592 PWs) bands (ev): -10.2585 -10.2585 -10.1573 -10.1573 -10.0836 -10.0836 -9.5771 -9.5771 -9.3978 -9.3978 -9.2503 -9.2503 -9.2106 -9.2106 -9.0069 -9.0069 -3.6818 -3.6818 -3.5870 -3.5870 -3.3432 -3.3432 -2.6963 -2.6963 -2.2043 -2.2043 -2.0983 -2.0983 -1.8800 -1.8800 -1.5789 -1.5789 -1.4857 -1.4857 -1.4118 -1.4118 -1.1824 -1.1824 -1.1395 -1.1395 -1.0487 -1.0487 -0.7901 -0.7901 -0.7466 -0.7466 k =-0.4018 0.5156 0.2767 ( 9582 PWs) bands (ev): -10.2444 -10.2444 -10.1426 -10.1426 -10.0681 -10.0681 -9.5698 -9.5698 -9.4131 -9.4131 -9.2585 -9.2585 -9.2291 -9.2291 -9.0266 -9.0266 -3.6745 -3.6745 -3.5952 -3.5952 -3.3475 -3.3475 -2.7280 -2.7280 -2.2078 -2.2078 -2.1122 -2.1122 -1.8775 -1.8775 -1.5939 -1.5939 -1.4968 -1.4968 -1.3726 -1.3726 -1.1992 -1.1992 -1.1302 -1.1302 -1.0308 -1.0308 -0.7650 -0.7650 -0.7577 -0.7577 k =-0.4018 0.5156 0.2998 ( 9584 PWs) bands (ev): -10.2292 -10.2292 -10.1267 -10.1267 -10.0514 -10.0514 -9.5619 -9.5619 -9.4296 -9.4296 -9.2675 -9.2675 -9.2488 -9.2488 -9.0472 -9.0472 -3.6662 -3.6662 -3.6029 -3.6029 -3.3526 -3.3526 -2.7618 -2.7618 -2.2108 -2.2108 -2.1226 -2.1226 -1.8742 -1.8742 -1.6138 -1.6138 -1.5092 -1.5092 -1.3321 -1.3321 -1.2166 -1.2166 -1.1176 -1.1176 -1.0099 -1.0099 -0.7696 -0.7696 -0.7650 -0.7650 k =-0.4018 0.5156 0.3228 ( 9580 PWs) bands (ev): -10.2129 -10.2129 -10.1097 -10.1097 -10.0336 -10.0336 -9.5536 -9.5536 -9.4474 -9.4474 -9.2772 -9.2772 -9.2698 -9.2698 -9.0688 -9.0688 -3.6571 -3.6571 -3.6097 -3.6097 -3.3585 -3.3585 -2.7970 -2.7970 -2.2133 -2.2133 -2.1297 -2.1297 -1.8703 -1.8703 -1.6372 -1.6372 -1.5219 -1.5219 -1.2918 -1.2918 -1.2344 -1.2344 -1.1023 -1.1023 -0.9878 -0.9878 -0.7864 -0.7864 -0.7698 -0.7698 k =-0.4018 0.5156 0.3459 ( 9574 PWs) bands (ev): -10.1956 -10.1956 -10.0915 -10.0915 -10.0145 -10.0145 -9.5448 -9.5448 -9.4663 -9.4663 -9.2918 -9.2918 -9.2877 -9.2877 -9.0911 -9.0911 -3.6471 -3.6471 -3.6156 -3.6156 -3.3651 -3.3651 -2.8334 -2.8334 -2.2154 -2.2154 -2.1339 -2.1339 -1.8657 -1.8657 -1.6630 -1.6630 -1.5341 -1.5341 -1.2541 -1.2541 -1.2513 -1.2513 -1.0856 -1.0856 -0.9659 -0.9659 -0.8048 -0.8048 -0.7682 -0.7682 k =-0.4018 0.5156 0.3689 ( 9558 PWs) bands (ev): -10.1773 -10.1773 -10.0724 -10.0724 -9.9944 -9.9944 -9.5357 -9.5357 -9.4864 -9.4864 -9.3148 -9.3148 -9.2993 -9.2993 -9.1138 -9.1138 -3.6361 -3.6361 -3.6204 -3.6204 -3.3726 -3.3726 -2.8705 -2.8705 -2.2169 -2.2169 -2.1356 -2.1356 -1.8604 -1.8604 -1.6903 -1.6903 -1.5451 -1.5451 -1.2704 -1.2704 -1.2174 -1.2174 -1.0692 -1.0692 -0.9457 -0.9457 -0.8195 -0.8195 -0.7609 -0.7609 k =-0.4018 0.5156 0.3920 ( 9561 PWs) bands (ev): -10.1580 -10.1580 -10.0522 -10.0522 -9.9732 -9.9732 -9.5261 -9.5261 -9.5075 -9.5075 -9.3387 -9.3387 -9.3120 -9.3120 -9.1367 -9.1367 -3.6245 -3.6245 -3.6238 -3.6238 -3.3808 -3.3808 -2.9080 -2.9080 -2.2179 -2.2179 -2.1353 -2.1353 -1.8546 -1.8546 -1.7182 -1.7182 -1.5542 -1.5542 -1.2880 -1.2880 -1.1874 -1.1874 -1.0547 -1.0547 -0.9281 -0.9281 -0.8273 -0.8273 -0.7479 -0.7479 k =-0.4018 0.5156 0.4150 ( 9548 PWs) bands (ev): -10.1378 -10.1378 -10.0311 -10.0311 -9.9510 -9.9510 -9.5295 -9.5295 -9.5163 -9.5163 -9.3634 -9.3634 -9.3260 -9.3260 -9.1595 -9.1595 -3.6265 -3.6265 -3.6114 -3.6114 -3.3896 -3.3896 -2.9455 -2.9455 -2.2183 -2.2183 -2.1333 -2.1333 -1.8483 -1.8483 -1.7459 -1.7459 -1.5610 -1.5610 -1.3050 -1.3050 -1.1657 -1.1657 -1.0434 -1.0434 -0.9133 -0.9133 -0.8256 -0.8256 -0.7689 -0.7689 k =-0.4018 0.5156 0.4381 ( 9543 PWs) bands (ev): -10.1167 -10.1167 -10.0091 -10.0091 -9.9279 -9.9279 -9.5525 -9.5525 -9.5064 -9.5064 -9.3885 -9.3885 -9.3416 -9.3416 -9.1819 -9.1819 -3.6277 -3.6277 -3.5979 -3.5979 -3.3990 -3.3990 -2.9829 -2.9829 -2.2181 -2.2181 -2.1303 -2.1303 -1.8418 -1.8418 -1.7727 -1.7727 -1.5653 -1.5653 -1.3209 -1.3209 -1.1555 -1.1555 -1.0345 -1.0345 -0.9007 -0.9007 -0.8177 -0.8177 -0.7992 -0.7992 k =-0.4018 0.5156 0.4612 ( 9557 PWs) bands (ev): -10.0949 -10.0949 -9.9862 -9.9862 -9.9039 -9.9039 -9.5761 -9.5761 -9.4968 -9.4968 -9.4137 -9.4137 -9.3589 -9.3589 -9.2036 -9.2036 -3.6275 -3.6275 -3.5836 -3.5836 -3.4087 -3.4087 -3.0198 -3.0198 -2.2173 -2.2173 -2.1266 -2.1266 -1.8355 -1.8355 -1.7979 -1.7979 -1.5667 -1.5667 -1.3352 -1.3352 -1.1584 -1.1584 -1.0277 -1.0277 -0.8896 -0.8896 -0.8377 -0.8377 -0.7902 -0.7902 k =-0.4018 0.5156 0.4842 ( 9562 PWs) bands (ev): -10.0722 -10.0722 -9.9626 -9.9626 -9.8791 -9.8791 -9.6005 -9.6005 -9.4888 -9.4888 -9.4375 -9.4375 -9.3779 -9.3779 -9.2243 -9.2243 -3.6261 -3.6261 -3.5690 -3.5690 -3.4184 -3.4184 -3.0562 -3.0562 -2.2157 -2.2157 -2.1230 -2.1230 -1.8299 -1.8299 -1.8206 -1.8206 -1.5652 -1.5652 -1.3474 -1.3474 -1.1723 -1.1723 -1.0268 -1.0268 -0.8793 -0.8793 -0.8590 -0.8590 -0.7672 -0.7672 k =-0.4018 0.5156 0.5073 ( 9573 PWs) bands (ev): -10.0489 -10.0489 -9.9383 -9.9383 -9.8535 -9.8535 -9.6254 -9.6254 -9.4889 -9.4889 -9.4531 -9.4531 -9.3989 -9.3989 -9.2440 -9.2440 -3.6233 -3.6233 -3.5544 -3.5544 -3.4274 -3.4274 -3.0918 -3.0918 -2.2134 -2.2134 -2.1201 -2.1201 -1.8406 -1.8406 -1.8249 -1.8249 -1.5606 -1.5606 -1.3568 -1.3568 -1.1936 -1.1936 -1.0374 -1.0374 -0.8691 -0.8691 -0.8667 -0.8667 -0.7448 -0.7448 k =-0.4018 0.5156 0.5303 ( 9588 PWs) bands (ev): -10.0249 -10.0249 -9.9134 -9.9134 -9.8275 -9.8275 -9.6508 -9.6508 -9.5064 -9.5064 -9.4515 -9.4515 -9.4216 -9.4216 -9.2625 -9.2625 -3.6192 -3.6192 -3.5410 -3.5410 -3.4347 -3.4347 -3.1266 -3.1266 -2.2103 -2.2103 -2.1186 -2.1186 -1.8564 -1.8564 -1.8217 -1.8217 -1.5529 -1.5529 -1.3628 -1.3628 -1.2195 -1.2195 -1.0601 -1.0601 -0.8611 -0.8611 -0.8585 -0.8585 -0.7275 -0.7275 k =-0.4018 0.5156 0.5534 ( 9584 PWs) bands (ev): -10.0003 -10.0003 -9.8881 -9.8881 -9.8011 -9.8011 -9.6764 -9.6764 -9.5311 -9.5311 -9.4460 -9.4460 -9.4424 -9.4424 -9.2798 -9.2798 -3.6139 -3.6139 -3.5304 -3.5304 -3.4382 -3.4382 -3.1605 -3.1605 -2.2063 -2.2063 -2.1192 -2.1192 -1.8678 -1.8678 -1.8204 -1.8204 -1.5422 -1.5422 -1.3648 -1.3648 -1.2478 -1.2478 -1.0904 -1.0904 -0.8485 -0.8485 -0.8458 -0.8458 -0.7178 -0.7178 k =-0.4018 0.5156 0.5765 ( 9593 PWs) bands (ev): -9.9752 -9.9752 -9.8628 -9.8628 -9.7746 -9.7746 -9.7019 -9.7019 -9.5572 -9.5572 -9.4716 -9.4716 -9.4313 -9.4313 -9.2962 -9.2962 -3.6074 -3.6074 -3.5252 -3.5252 -3.4355 -3.4355 -3.1935 -3.1935 -2.2014 -2.2014 -2.1221 -2.1221 -1.8746 -1.8746 -1.8212 -1.8212 -1.5287 -1.5287 -1.3624 -1.3624 -1.2775 -1.2775 -1.1240 -1.1240 -0.8372 -0.8372 -0.8273 -0.8273 -0.7149 -0.7149 k =-0.4018 0.5156 0.5995 ( 9591 PWs) bands (ev): -9.9497 -9.9497 -9.8380 -9.8380 -9.7488 -9.7488 -9.7268 -9.7268 -9.5829 -9.5829 -9.4983 -9.4983 -9.4194 -9.4194 -9.3118 -9.3118 -3.5998 -3.5998 -3.5263 -3.5263 -3.4254 -3.4254 -3.2253 -3.2253 -2.1954 -2.1954 -2.1274 -2.1274 -1.8767 -1.8767 -1.8244 -1.8244 -1.5123 -1.5123 -1.3555 -1.3555 -1.3076 -1.3076 -1.1585 -1.1585 -0.8259 -0.8259 -0.8076 -0.8076 -0.7158 -0.7158 k =-0.4018 0.5156 0.6226 ( 9607 PWs) bands (ev): -9.9239 -9.9239 -9.8163 -9.8163 -9.7487 -9.7487 -9.7253 -9.7253 -9.6060 -9.6060 -9.5255 -9.5255 -9.4071 -9.4071 -9.3266 -9.3266 -3.5913 -3.5913 -3.5323 -3.5323 -3.4092 -3.4092 -3.2561 -3.2561 -2.1885 -2.1885 -2.1347 -2.1347 -1.8748 -1.8748 -1.8296 -1.8296 -1.4934 -1.4934 -1.3454 -1.3454 -1.3360 -1.3360 -1.1923 -1.1923 -0.8145 -0.8145 -0.7902 -0.7902 -0.7167 -0.7167 k =-0.4018 0.5156 0.6456 ( 9604 PWs) bands (ev): -9.8979 -9.8979 -9.8080 -9.8080 -9.7573 -9.7573 -9.7089 -9.7089 -9.6218 -9.6218 -9.5528 -9.5528 -9.3945 -9.3945 -9.3410 -9.3410 -3.5819 -3.5819 -3.5410 -3.5410 -3.3889 -3.3889 -3.2856 -3.2856 -2.1806 -2.1806 -2.1435 -2.1435 -1.8697 -1.8697 -1.8367 -1.8367 -1.4720 -1.4720 -1.3677 -1.3677 -1.3269 -1.3269 -1.2247 -1.2247 -0.8033 -0.8033 -0.7793 -0.7793 -0.7126 -0.7126 k =-0.4018 0.5156 0.6687 ( 9598 PWs) bands (ev): -9.8719 -9.8719 -9.8229 -9.8229 -9.7437 -9.7437 -9.7086 -9.7086 -9.6208 -9.6208 -9.5794 -9.5794 -9.3816 -9.3816 -9.3548 -9.3548 -3.5719 -3.5719 -3.5510 -3.5510 -3.3658 -3.3658 -3.3138 -3.3138 -2.1719 -2.1719 -2.1529 -2.1529 -1.8624 -1.8624 -1.8449 -1.8449 -1.4485 -1.4485 -1.3960 -1.3960 -1.3067 -1.3067 -1.2548 -1.2548 -0.7927 -0.7927 -0.7779 -0.7779 -0.7003 -0.7003 k =-0.4018 0.5156 0.6917 ( 9600 PWs) bands (ev): -9.8464 -9.8464 -9.8464 -9.8464 -9.7237 -9.7237 -9.7237 -9.7237 -9.6037 -9.6037 -9.6036 -9.6036 -9.3684 -9.3684 -9.3683 -9.3683 -3.5618 -3.5618 -3.5613 -3.5613 -3.3411 -3.3411 -3.3402 -3.3402 -2.1628 -2.1628 -2.1623 -2.1623 -1.8552 -1.8552 -1.8524 -1.8524 -1.4241 -1.4241 -1.4221 -1.4221 -1.2857 -1.2857 -1.2791 -1.2791 -0.7847 -0.7847 -0.7825 -0.7825 -0.6843 -0.6842 k =-0.4018 0.5156 0.6917 ( 9600 PWs) bands (ev): -9.8464 -9.8464 -9.8464 -9.8464 -9.7237 -9.7237 -9.7237 -9.7237 -9.6037 -9.6037 -9.6036 -9.6036 -9.3684 -9.3684 -9.3683 -9.3683 -3.5618 -3.5618 -3.5613 -3.5613 -3.3411 -3.3411 -3.3402 -3.3402 -2.1628 -2.1628 -2.1623 -2.1623 -1.8552 -1.8552 -1.8524 -1.8524 -1.4241 -1.4241 -1.4221 -1.4221 -1.2857 -1.2857 -1.2791 -1.2791 -0.7847 -0.7847 -0.7825 -0.7825 -0.6842 -0.6842 k =-0.4158 0.4976 0.6917 ( 9604 PWs) bands (ev): -9.8432 -9.8432 -9.8432 -9.8432 -9.7260 -9.7260 -9.7260 -9.7260 -9.5912 -9.5912 -9.5912 -9.5912 -9.3840 -9.3840 -9.3840 -9.3840 -3.5643 -3.5643 -3.5639 -3.5639 -3.3281 -3.3281 -3.3274 -3.3274 -2.1605 -2.1605 -2.1599 -2.1599 -1.8262 -1.8262 -1.8233 -1.8233 -1.3888 -1.3888 -1.3856 -1.3856 -1.3329 -1.3329 -1.3250 -1.3250 -0.8069 -0.8069 -0.8047 -0.8047 -0.7009 -0.7008 k =-0.4298 0.4796 0.6917 ( 9612 PWs) bands (ev): -9.8409 -9.8409 -9.8409 -9.8409 -9.7279 -9.7279 -9.7279 -9.7279 -9.5773 -9.5773 -9.5772 -9.5772 -9.4003 -9.4003 -9.4002 -9.4002 -3.5666 -3.5666 -3.5663 -3.5663 -3.3170 -3.3170 -3.3164 -3.3164 -2.1582 -2.1582 -2.1575 -2.1575 -1.7955 -1.7955 -1.7924 -1.7924 -1.3789 -1.3789 -1.3788 -1.3788 -1.3508 -1.3508 -1.3462 -1.3462 -0.8280 -0.8280 -0.8260 -0.8260 -0.7176 -0.7175 k =-0.4439 0.4616 0.6917 ( 9612 PWs) bands (ev): -9.8393 -9.8393 -9.8393 -9.8393 -9.7296 -9.7296 -9.7296 -9.7296 -9.5621 -9.5621 -9.5621 -9.5621 -9.4169 -9.4169 -9.4168 -9.4168 -3.5687 -3.5687 -3.5684 -3.5684 -3.3078 -3.3078 -3.3072 -3.3072 -2.1559 -2.1559 -2.1552 -2.1552 -1.7636 -1.7636 -1.7604 -1.7604 -1.4226 -1.4226 -1.4188 -1.4188 -1.3193 -1.3193 -1.3186 -1.3186 -0.8474 -0.8474 -0.8457 -0.8457 -0.7331 -0.7331 k =-0.4579 0.4436 0.6917 ( 9618 PWs) bands (ev): -9.8383 -9.8383 -9.8383 -9.8383 -9.7309 -9.7309 -9.7309 -9.7309 -9.5463 -9.5463 -9.5463 -9.5463 -9.4336 -9.4336 -9.4336 -9.4336 -3.5703 -3.5703 -3.5701 -3.5701 -3.3005 -3.3005 -3.3001 -3.3001 -2.1537 -2.1537 -2.1532 -2.1532 -1.7313 -1.7313 -1.7281 -1.7281 -1.4639 -1.4639 -1.4598 -1.4598 -1.2921 -1.2921 -1.2919 -1.2919 -0.8644 -0.8644 -0.8630 -0.8630 -0.7466 -0.7465 k =-0.4719 0.4256 0.6917 ( 9618 PWs) bands (ev): -9.8376 -9.8376 -9.8376 -9.8376 -9.7319 -9.7319 -9.7319 -9.7319 -9.5304 -9.5304 -9.5304 -9.5304 -9.4501 -9.4501 -9.4501 -9.4501 -3.5715 -3.5715 -3.5713 -3.5713 -3.2953 -3.2953 -3.2950 -3.2950 -2.1520 -2.1520 -2.1516 -2.1516 -1.7001 -1.7001 -1.6970 -1.6970 -1.5013 -1.5013 -1.4975 -1.4975 -1.2707 -1.2707 -1.2706 -1.2706 -0.8779 -0.8779 -0.8769 -0.8769 -0.7568 -0.7565 k =-0.4860 0.4076 0.6917 ( 9618 PWs) bands (ev): -9.8373 -9.8373 -9.8373 -9.8373 -9.7324 -9.7324 -9.7324 -9.7324 -9.5159 -9.5159 -9.5159 -9.5159 -9.4649 -9.4649 -9.4649 -9.4649 -3.5722 -3.5722 -3.5721 -3.5721 -3.2921 -3.2921 -3.2919 -3.2919 -2.1508 -2.1508 -2.1506 -2.1506 -1.6734 -1.6734 -1.6712 -1.6712 -1.5308 -1.5308 -1.5282 -1.5282 -1.2569 -1.2569 -1.2568 -1.2568 -0.8866 -0.8866 -0.8861 -0.8861 -0.7630 -0.7627 k =-0.5000 0.3896 0.6917 ( 9608 PWs) bands (ev): -9.8372 -9.8372 -9.8372 -9.8372 -9.7326 -9.7326 -9.7326 -9.7326 -9.5085 -9.5085 -9.5085 -9.5085 -9.4724 -9.4724 -9.4724 -9.4724 -3.5724 -3.5724 -3.5724 -3.5724 -3.2910 -3.2910 -3.2910 -3.2910 -2.1503 -2.1503 -2.1503 -2.1503 -1.6607 -1.6607 -1.6607 -1.6607 -1.5424 -1.5424 -1.5424 -1.5424 -1.2521 -1.2521 -1.2521 -1.2521 -0.8895 -0.8895 -0.8895 -0.8895 -0.7654 -0.7654 k =-0.5000 0.3896 0.6917 ( 9608 PWs) bands (ev): -9.8372 -9.8372 -9.8372 -9.8372 -9.7326 -9.7326 -9.7326 -9.7326 -9.5085 -9.5085 -9.5085 -9.5085 -9.4724 -9.4724 -9.4724 -9.4724 -3.5724 -3.5724 -3.5724 -3.5724 -3.2910 -3.2910 -3.2910 -3.2910 -2.1503 -2.1503 -2.1503 -2.1503 -1.6607 -1.6607 -1.6607 -1.6607 -1.5424 -1.5424 -1.5424 -1.5424 -1.2521 -1.2521 -1.2521 -1.2521 -0.8895 -0.8895 -0.8895 -0.8895 -0.7654 -0.7654 k =-0.5000 0.3896 0.6687 ( 9610 PWs) bands (ev): -9.8615 -9.8615 -9.8167 -9.8167 -9.7532 -9.7532 -9.7101 -9.7101 -9.5330 -9.5330 -9.4878 -9.4878 -9.4814 -9.4814 -9.4571 -9.4571 -3.5839 -3.5839 -3.5600 -3.5600 -3.3114 -3.3114 -3.2698 -3.2698 -2.1656 -2.1656 -2.1361 -2.1361 -1.6873 -1.6873 -1.6321 -1.6321 -1.5499 -1.5499 -1.5326 -1.5326 -1.2753 -1.2753 -1.2273 -1.2273 -0.9011 -0.9011 -0.8821 -0.8821 -0.7765 -0.7765 k =-0.5000 0.3896 0.6456 ( 9608 PWs) bands (ev): -9.8869 -9.8869 -9.8120 -9.8120 -9.7587 -9.7587 -9.6906 -9.6906 -9.5528 -9.5528 -9.5031 -9.5031 -9.4530 -9.4530 -9.4420 -9.4420 -3.5944 -3.5944 -3.5469 -3.5469 -3.3312 -3.3312 -3.2477 -3.2477 -2.1815 -2.1815 -2.1232 -2.1232 -1.7120 -1.7120 -1.6020 -1.6020 -1.5547 -1.5547 -1.5208 -1.5208 -1.2969 -1.2969 -1.2015 -1.2015 -0.9145 -0.9145 -0.8812 -0.8812 -0.7795 -0.7795 k =-0.5000 0.3896 0.6226 ( 9600 PWs) bands (ev): -9.9124 -9.9124 -9.8294 -9.8294 -9.7426 -9.7426 -9.6796 -9.6796 -9.5630 -9.5630 -9.5185 -9.5185 -9.4269 -9.4269 -9.4238 -9.4238 -3.6039 -3.6039 -3.5332 -3.5332 -3.3504 -3.3504 -3.2247 -3.2247 -2.1976 -2.1976 -2.1121 -2.1121 -1.7345 -1.7345 -1.5707 -1.5707 -1.5566 -1.5566 -1.5076 -1.5076 -1.3164 -1.3164 -1.1749 -1.1749 -0.9285 -0.9285 -0.8873 -0.8873 -0.7741 -0.7741 k =-0.5000 0.3896 0.5995 ( 9608 PWs) bands (ev): -9.9380 -9.9380 -9.8539 -9.8539 -9.7194 -9.7194 -9.6821 -9.6821 -9.5590 -9.5590 -9.5338 -9.5338 -9.4122 -9.4122 -9.3941 -9.3941 -3.6122 -3.6122 -3.5190 -3.5190 -3.3690 -3.3690 -3.2007 -3.2007 -2.2137 -2.2137 -2.1029 -2.1029 -1.7548 -1.7548 -1.5553 -1.5553 -1.5385 -1.5385 -1.4933 -1.4933 -1.3337 -1.3337 -1.1481 -1.1481 -0.9422 -0.9422 -0.8975 -0.8975 -0.7627 -0.7627 k =-0.5000 0.3896 0.5765 ( 9590 PWs) bands (ev): -9.9632 -9.9632 -9.8799 -9.8799 -9.6961 -9.6961 -9.6946 -9.6946 -9.5490 -9.5490 -9.5429 -9.5429 -9.3976 -9.3976 -9.3641 -9.3641 -3.6193 -3.6193 -3.5044 -3.5044 -3.3872 -3.3872 -3.1756 -3.1756 -2.2293 -2.2293 -2.0958 -2.0958 -1.7728 -1.7728 -1.5507 -1.5507 -1.5063 -1.5063 -1.4784 -1.4784 -1.3483 -1.3483 -1.1216 -1.1216 -0.9552 -0.9552 -0.9090 -0.9090 -0.7481 -0.7481 k =-0.5000 0.3896 0.5534 ( 9610 PWs) bands (ev): -9.9881 -9.9881 -9.9061 -9.9061 -9.7160 -9.7160 -9.6696 -9.6696 -9.5641 -9.5641 -9.5202 -9.5202 -9.3834 -9.3834 -9.3340 -9.3340 -3.6251 -3.6251 -3.4897 -3.4897 -3.4050 -3.4050 -3.1493 -3.1493 -2.2442 -2.2442 -2.0909 -2.0909 -1.7886 -1.7886 -1.5430 -1.5430 -1.4759 -1.4759 -1.4625 -1.4625 -1.3597 -1.3597 -1.0965 -1.0965 -0.9671 -0.9671 -0.9197 -0.9197 -0.7322 -0.7322 k =-0.5000 0.3896 0.5303 ( 9606 PWs) bands (ev): -10.0126 -10.0126 -9.9321 -9.9321 -9.7384 -9.7384 -9.6446 -9.6446 -9.5789 -9.5789 -9.4946 -9.4946 -9.3694 -9.3694 -9.3039 -9.3039 -3.6296 -3.6296 -3.4749 -3.4749 -3.4223 -3.4223 -3.1218 -3.1218 -2.2582 -2.2582 -2.0881 -2.0881 -1.8021 -1.8021 -1.5325 -1.5325 -1.4555 -1.4555 -1.4393 -1.4393 -1.3668 -1.3668 -1.0738 -1.0738 -0.9776 -0.9776 -0.9281 -0.9281 -0.7159 -0.7158 k =-0.5000 0.3896 0.5073 ( 9596 PWs) bands (ev): -10.0365 -10.0365 -9.9576 -9.9576 -9.7616 -9.7616 -9.6200 -9.6200 -9.5935 -9.5935 -9.4678 -9.4678 -9.3559 -9.3559 -9.2740 -9.2740 -3.6327 -3.6327 -3.4601 -3.4601 -3.4394 -3.4394 -3.0929 -3.0929 -2.2709 -2.2709 -2.0870 -2.0870 -1.8136 -1.8136 -1.5195 -1.5195 -1.4449 -1.4449 -1.4116 -1.4116 -1.3684 -1.3684 -1.0554 -1.0554 -0.9864 -0.9864 -0.9329 -0.9329 -0.7000 -0.7000 k =-0.5000 0.3896 0.4842 ( 9590 PWs) bands (ev): -10.0598 -10.0598 -9.9825 -9.9825 -9.7848 -9.7848 -9.6078 -9.6078 -9.5958 -9.5958 -9.4405 -9.4405 -9.3427 -9.3427 -9.2443 -9.2443 -3.6345 -3.6345 -3.4560 -3.4560 -3.4456 -3.4456 -3.0627 -3.0627 -2.2823 -2.2823 -2.0874 -2.0874 -1.8231 -1.8231 -1.5047 -1.5047 -1.4394 -1.4394 -1.3863 -1.3863 -1.3636 -1.3636 -1.0434 -1.0434 -0.9935 -0.9935 -0.9330 -0.9330 -0.6908 -0.6874 k =-0.5000 0.3896 0.4612 ( 9578 PWs) bands (ev): -10.0824 -10.0824 -10.0067 -10.0067 -9.8077 -9.8077 -9.6217 -9.6217 -9.5721 -9.5721 -9.4132 -9.4132 -9.3300 -9.3300 -9.2151 -9.2151 -3.6348 -3.6348 -3.4723 -3.4723 -3.4314 -3.4314 -3.0310 -3.0310 -2.2921 -2.2921 -2.0890 -2.0890 -1.8308 -1.8308 -1.4888 -1.4888 -1.4377 -1.4377 -1.3652 -1.3652 -1.3534 -1.3534 -1.0398 -1.0398 -0.9984 -0.9984 -0.9274 -0.9274 -0.7015 -0.6958 k =-0.5000 0.3896 0.4381 ( 9572 PWs) bands (ev): -10.1043 -10.1043 -10.0301 -10.0301 -9.8300 -9.8300 -9.6353 -9.6353 -9.5491 -9.5491 -9.3862 -9.3862 -9.3177 -9.3177 -9.1864 -9.1864 -3.6339 -3.6339 -3.4882 -3.4882 -3.4177 -3.4177 -2.9980 -2.9980 -2.3002 -2.3002 -2.0913 -2.0913 -1.8368 -1.8368 -1.4726 -1.4726 -1.4380 -1.4380 -1.3486 -1.3486 -1.3403 -1.3403 -1.0456 -1.0456 -1.0012 -1.0012 -0.9155 -0.9155 -0.7238 -0.7238 k =-0.5000 0.3896 0.4150 ( 9574 PWs) bands (ev): -10.1254 -10.1254 -10.0526 -10.0526 -9.8516 -9.8516 -9.6484 -9.6484 -9.5269 -9.5269 -9.3597 -9.3597 -9.3059 -9.3059 -9.1583 -9.1583 -3.6316 -3.6316 -3.5038 -3.5038 -3.4046 -3.4046 -2.9636 -2.9636 -2.3065 -2.3065 -2.0941 -2.0941 -1.8414 -1.8414 -1.4574 -1.4574 -1.4389 -1.4389 -1.3373 -1.3373 -1.3258 -1.3258 -1.0598 -1.0598 -1.0017 -1.0017 -0.8971 -0.8971 -0.7525 -0.7525 k =-0.5000 0.3896 0.3920 ( 9566 PWs) bands (ev): -10.1457 -10.1457 -10.0742 -10.0742 -9.8724 -9.8724 -9.6611 -9.6611 -9.5054 -9.5054 -9.3339 -9.3339 -9.2947 -9.2947 -9.1310 -9.1310 -3.6280 -3.6280 -3.5189 -3.5189 -3.3922 -3.3922 -2.9278 -2.9278 -2.3109 -2.3109 -2.0970 -2.0970 -1.8447 -1.8447 -1.4447 -1.4447 -1.4398 -1.4398 -1.3315 -1.3315 -1.3101 -1.3101 -1.0796 -1.0796 -0.9996 -0.9996 -0.8729 -0.8729 -0.7814 -0.7814 k =-0.5000 0.3896 0.3689 ( 9556 PWs) bands (ev): -10.1650 -10.1650 -10.0948 -10.0948 -9.8923 -9.8923 -9.6733 -9.6733 -9.4848 -9.4848 -9.3088 -9.3088 -9.2840 -9.2840 -9.1045 -9.1045 -3.6233 -3.6233 -3.5335 -3.5335 -3.3805 -3.3805 -2.8906 -2.8906 -2.3133 -2.3133 -2.0996 -2.0996 -1.8469 -1.8469 -1.4412 -1.4412 -1.4358 -1.4358 -1.3304 -1.3304 -1.2942 -1.2942 -1.1013 -1.1013 -0.9949 -0.9949 -0.8439 -0.8439 -0.8096 -0.8096 k =-0.5000 0.3896 0.3459 ( 9546 PWs) bands (ev): -10.1834 -10.1834 -10.1143 -10.1143 -9.9112 -9.9112 -9.6849 -9.6849 -9.4651 -9.4651 -9.2847 -9.2847 -9.2738 -9.2738 -9.0789 -9.0789 -3.6175 -3.6175 -3.5476 -3.5476 -3.3697 -3.3697 -2.8522 -2.8522 -2.3138 -2.3138 -2.1018 -2.1018 -1.8483 -1.8483 -1.4425 -1.4425 -1.4336 -1.4336 -1.3331 -1.3331 -1.2784 -1.2784 -1.1209 -1.1209 -0.9873 -0.9873 -0.8363 -0.8363 -0.8114 -0.8114 k =-0.5000 0.3896 0.3228 ( 9550 PWs) bands (ev): -10.2009 -10.2009 -10.1328 -10.1328 -9.9290 -9.9290 -9.6960 -9.6960 -9.4465 -9.4465 -9.2642 -9.2642 -9.2615 -9.2615 -9.0544 -9.0544 -3.6108 -3.6108 -3.5611 -3.5611 -3.3598 -3.3598 -2.8127 -2.8127 -2.3123 -2.3123 -2.1033 -2.1033 -1.8490 -1.8490 -1.4448 -1.4448 -1.4398 -1.4398 -1.3387 -1.3387 -1.2630 -1.2630 -1.1351 -1.1351 -0.9767 -0.9767 -0.8605 -0.8605 -0.7770 -0.7770 k =-0.5000 0.3896 0.2998 ( 9558 PWs) bands (ev): -10.2173 -10.2173 -10.1502 -10.1502 -9.9458 -9.9458 -9.7064 -9.7064 -9.4289 -9.4289 -9.2552 -9.2552 -9.2396 -9.2396 -9.0311 -9.0311 -3.6032 -3.6032 -3.5740 -3.5740 -3.3508 -3.3508 -2.7722 -2.7722 -2.3089 -2.3089 -2.1038 -2.1038 -1.8493 -1.8493 -1.4560 -1.4560 -1.4480 -1.4480 -1.3463 -1.3463 -1.2485 -1.2485 -1.1421 -1.1421 -0.9632 -0.9632 -0.8812 -0.8812 -0.7462 -0.7462 k =-0.5000 0.3896 0.2767 ( 9562 PWs) bands (ev): -10.2326 -10.2326 -10.1664 -10.1664 -9.9615 -9.9615 -9.7162 -9.7162 -9.4123 -9.4123 -9.2469 -9.2469 -9.2188 -9.2188 -9.0090 -9.0090 -3.5949 -3.5949 -3.5862 -3.5862 -3.3427 -3.3427 -2.7308 -2.7308 -2.3036 -2.3036 -2.1032 -2.1032 -1.8492 -1.8492 -1.4803 -1.4803 -1.4535 -1.4535 -1.3555 -1.3555 -1.2349 -1.2349 -1.1420 -1.1420 -0.9468 -0.9468 -0.8973 -0.8973 -0.7794 -0.7794 k =-0.5000 0.3896 0.2536 ( 9578 PWs) bands (ev): -10.2468 -10.2468 -10.1815 -10.1815 -9.9761 -9.9761 -9.7254 -9.7254 -9.3970 -9.3970 -9.2391 -9.2391 -9.1993 -9.1993 -8.9883 -8.9883 -3.5977 -3.5977 -3.5862 -3.5862 -3.3354 -3.3354 -2.6890 -2.6890 -2.2966 -2.2966 -2.1013 -2.1013 -1.8489 -1.8489 -1.5115 -1.5115 -1.4614 -1.4614 -1.3659 -1.3659 -1.2227 -1.2227 -1.1364 -1.1364 -0.9274 -0.9274 -0.9078 -0.9078 -0.8223 -0.8223 k =-0.5000 0.3896 0.2306 ( 9570 PWs) bands (ev): -10.2599 -10.2599 -10.1953 -10.1953 -9.9894 -9.9894 -9.7338 -9.7338 -9.3828 -9.3828 -9.2320 -9.2320 -9.1813 -9.1813 -8.9690 -8.9690 -3.6084 -3.6084 -3.5771 -3.5771 -3.3291 -3.3291 -2.6468 -2.6468 -2.2881 -2.2881 -2.0980 -2.0980 -1.8485 -1.8485 -1.5472 -1.5472 -1.4719 -1.4719 -1.3772 -1.3772 -1.2119 -1.2119 -1.1273 -1.1273 -0.9128 -0.9128 -0.9045 -0.9045 -0.8678 -0.8677 k =-0.5000 0.3896 0.2075 ( 9582 PWs) bands (ev): -10.2719 -10.2719 -10.2079 -10.2079 -10.0016 -10.0016 -9.7415 -9.7415 -9.3699 -9.3699 -9.2256 -9.2256 -9.1647 -9.1647 -8.9513 -8.9513 -3.6182 -3.6182 -3.5680 -3.5680 -3.3236 -3.3236 -2.6049 -2.6049 -2.2782 -2.2782 -2.0932 -2.0932 -1.8480 -1.8480 -1.5854 -1.5854 -1.4850 -1.4850 -1.3892 -1.3892 -1.2027 -1.2027 -1.1163 -1.1163 -0.9160 -0.9160 -0.9085 -0.9084 -0.8795 -0.8795 k =-0.5000 0.3896 0.1845 ( 9586 PWs) bands (ev): -10.2826 -10.2826 -10.2192 -10.2192 -10.0126 -10.0126 -9.7484 -9.7484 -9.3582 -9.3582 -9.2198 -9.2198 -9.1497 -9.1497 -8.9352 -8.9352 -3.6271 -3.6271 -3.5589 -3.5589 -3.3188 -3.3188 -2.5635 -2.5635 -2.2674 -2.2674 -2.0867 -2.0867 -1.8476 -1.8476 -1.6246 -1.6246 -1.5005 -1.5005 -1.4018 -1.4018 -1.1951 -1.1951 -1.1046 -1.1046 -0.9599 -0.9599 -0.9015 -0.9015 -0.8517 -0.8517 k =-0.5000 0.3896 0.1614 ( 9600 PWs) bands (ev): -10.2922 -10.2922 -10.2292 -10.2292 -10.0223 -10.0223 -9.7546 -9.7546 -9.3478 -9.3478 -9.2147 -9.2147 -9.1362 -9.1362 -8.9208 -8.9208 -3.6351 -3.6351 -3.5503 -3.5503 -3.3148 -3.3148 -2.5235 -2.5235 -2.2559 -2.2559 -2.0785 -2.0785 -1.8472 -1.8472 -1.6638 -1.6638 -1.5177 -1.5177 -1.4149 -1.4149 -1.1888 -1.1888 -1.0932 -1.0932 -1.0029 -1.0029 -0.8874 -0.8874 -0.8213 -0.8213 k =-0.5000 0.3896 0.1383 ( 9600 PWs) bands (ev): -10.3005 -10.3005 -10.2380 -10.2380 -10.0307 -10.0307 -9.7600 -9.7600 -9.3387 -9.3387 -9.2103 -9.2103 -9.1245 -9.1245 -8.9082 -8.9082 -3.6421 -3.6421 -3.5422 -3.5422 -3.3115 -3.3115 -2.4854 -2.4854 -2.2442 -2.2442 -2.0687 -2.0687 -1.8469 -1.8469 -1.7019 -1.7019 -1.5356 -1.5356 -1.4284 -1.4284 -1.1838 -1.1838 -1.0826 -1.0826 -1.0425 -1.0425 -0.8685 -0.8685 -0.7887 -0.7887 k =-0.5000 0.3896 0.1153 ( 9600 PWs) bands (ev): -10.3075 -10.3075 -10.2454 -10.2454 -10.0379 -10.0379 -9.7646 -9.7646 -9.3310 -9.3310 -9.2065 -9.2065 -9.1144 -9.1144 -8.8974 -8.8974 -3.6481 -3.6481 -3.5349 -3.5349 -3.3088 -3.3088 -2.4503 -2.4503 -2.2328 -2.2328 -2.0574 -2.0574 -1.8467 -1.8467 -1.7382 -1.7382 -1.5533 -1.5533 -1.4420 -1.4420 -1.1797 -1.1797 -1.0775 -1.0775 -1.0732 -1.0732 -0.8459 -0.8459 -0.7540 -0.7540 k =-0.5000 0.3896 0.0922 ( 9608 PWs) bands (ev): -10.3133 -10.3133 -10.2515 -10.2515 -10.0438 -10.0438 -9.7684 -9.7684 -9.3247 -9.3247 -9.2034 -9.2034 -9.1062 -9.1062 -8.8885 -8.8885 -3.6531 -3.6531 -3.5286 -3.5286 -3.3067 -3.3067 -2.4191 -2.4191 -2.2222 -2.2222 -2.0449 -2.0449 -1.8466 -1.8466 -1.7717 -1.7717 -1.5698 -1.5698 -1.4551 -1.4551 -1.1765 -1.1765 -1.1069 -1.1069 -1.0653 -1.0653 -0.8210 -0.8210 -0.7252 -0.7252 k =-0.5000 0.3896 0.0692 ( 9612 PWs) bands (ev): -10.3178 -10.3178 -10.2562 -10.2562 -10.0484 -10.0484 -9.7714 -9.7714 -9.3198 -9.3198 -9.2010 -9.2010 -9.0997 -9.0997 -8.8815 -8.8815 -3.6569 -3.6569 -3.5235 -3.5235 -3.3051 -3.3051 -2.3930 -2.3930 -2.2131 -2.2131 -2.0319 -2.0319 -1.8467 -1.8467 -1.8014 -1.8014 -1.5839 -1.5839 -1.4671 -1.4671 -1.1741 -1.1741 -1.1302 -1.1302 -1.0591 -1.0591 -0.7955 -0.7955 -0.7293 -0.7293 k =-0.5000 0.3896 0.0461 ( 9586 PWs) bands (ev): -10.3211 -10.3211 -10.2596 -10.2596 -10.0517 -10.0517 -9.7735 -9.7735 -9.3162 -9.3162 -9.1993 -9.1993 -9.0950 -9.0950 -8.8765 -8.8765 -3.6597 -3.6597 -3.5198 -3.5198 -3.3039 -3.3039 -2.3732 -2.3732 -2.2061 -2.2061 -2.0197 -2.0197 -1.8472 -1.8472 -1.8253 -1.8253 -1.5947 -1.5947 -1.4768 -1.4768 -1.1724 -1.1724 -1.1469 -1.1469 -1.0546 -1.0546 -0.7719 -0.7719 -0.7325 -0.7325 k =-0.5000 0.3896 0.0231 ( 9594 PWs) bands (ev): -10.3230 -10.3230 -10.2616 -10.2616 -10.0536 -10.0536 -9.7748 -9.7748 -9.3141 -9.3141 -9.1982 -9.1982 -9.0922 -9.0922 -8.8735 -8.8735 -3.6614 -3.6614 -3.5175 -3.5175 -3.3033 -3.3033 -2.3609 -2.3609 -2.2016 -2.2016 -2.0104 -2.0104 -1.8496 -1.8496 -1.8397 -1.8397 -1.6016 -1.6016 -1.4831 -1.4831 -1.1713 -1.1713 -1.1569 -1.1569 -1.0520 -1.0520 -0.7543 -0.7543 -0.7344 -0.7344 k =-0.5000 0.3896 0.0000 ( 9590 PWs) bands (ev): -10.3237 -10.3237 -10.2623 -10.2623 -10.0543 -10.0543 -9.7752 -9.7752 -9.3134 -9.3134 -9.1979 -9.1979 -9.0913 -9.0913 -8.8725 -8.8725 -3.6620 -3.6620 -3.5167 -3.5167 -3.3030 -3.3030 -2.3567 -2.3567 -2.2001 -2.2001 -2.0068 -2.0068 -1.8527 -1.8527 -1.8427 -1.8427 -1.6039 -1.6039 -1.4853 -1.4853 -1.1710 -1.1710 -1.1603 -1.1603 -1.0511 -1.0511 -0.7475 -0.7475 -0.7350 -0.7350 k = 0.0000 0.0000 0.6917 ( 9546 PWs) bands (ev): -10.1044 -10.1044 -10.1044 -10.1044 -9.6378 -9.6378 -9.6378 -9.6378 -9.4561 -9.4561 -9.4561 -9.4561 -9.2630 -9.2630 -9.2630 -9.2630 -3.8642 -3.8642 -3.8642 -3.8642 -3.5479 -3.5479 -3.5479 -3.5479 -2.2715 -2.2715 -2.2715 -2.2715 -1.8575 -1.8575 -1.8575 -1.8575 -1.6395 -1.6395 -1.6395 -1.6395 -0.9020 -0.9020 -0.9020 -0.9020 -0.4428 -0.4428 -0.4428 -0.4428 -0.4086 -0.4086 k =-0.0179 0.0139 0.6917 ( 9538 PWs) bands (ev): -10.1039 -10.1039 -10.1039 -10.1039 -9.6379 -9.6379 -9.6379 -9.6379 -9.4561 -9.4561 -9.4561 -9.4561 -9.2636 -9.2636 -9.2636 -9.2636 -3.8634 -3.8634 -3.8634 -3.8634 -3.5472 -3.5472 -3.5472 -3.5472 -2.2703 -2.2703 -2.2703 -2.2703 -1.8570 -1.8570 -1.8570 -1.8570 -1.6408 -1.6408 -1.6408 -1.6408 -0.9017 -0.9017 -0.9017 -0.9017 -0.4465 -0.4465 -0.4465 -0.4465 -0.4074 -0.4073 k =-0.0357 0.0278 0.6917 ( 9538 PWs) bands (ev): -10.1023 -10.1023 -10.1023 -10.1023 -9.6383 -9.6383 -9.6383 -9.6383 -9.4563 -9.4563 -9.4563 -9.4563 -9.2654 -9.2654 -9.2654 -9.2654 -3.8613 -3.8613 -3.8613 -3.8613 -3.5451 -3.5451 -3.5451 -3.5451 -2.2666 -2.2666 -2.2666 -2.2666 -1.8554 -1.8554 -1.8554 -1.8554 -1.6446 -1.6446 -1.6446 -1.6446 -0.9010 -0.9010 -0.9010 -0.9010 -0.4562 -0.4562 -0.4562 -0.4562 -0.4050 -0.4050 k =-0.0536 0.0417 0.6917 ( 9548 PWs) bands (ev): -10.0998 -10.0998 -10.0998 -10.0998 -9.6389 -9.6389 -9.6389 -9.6389 -9.4565 -9.4565 -9.4565 -9.4565 -9.2685 -9.2685 -9.2685 -9.2685 -3.8577 -3.8577 -3.8577 -3.8577 -3.5416 -3.5416 -3.5416 -3.5416 -2.2605 -2.2605 -2.2605 -2.2605 -1.8527 -1.8527 -1.8527 -1.8527 -1.6508 -1.6508 -1.6508 -1.6508 -0.8997 -0.8997 -0.8997 -0.8997 -0.4697 -0.4697 -0.4697 -0.4697 -0.4036 -0.4036 k =-0.0714 0.0557 0.6917 ( 9566 PWs) bands (ev): -10.0963 -10.0963 -10.0963 -10.0963 -9.6398 -9.6398 -9.6398 -9.6398 -9.4569 -9.4569 -9.4569 -9.4569 -9.2727 -9.2727 -9.2727 -9.2727 -3.8527 -3.8527 -3.8527 -3.8527 -3.5367 -3.5367 -3.5367 -3.5367 -2.2521 -2.2521 -2.2521 -2.2521 -1.8491 -1.8491 -1.8491 -1.8491 -1.6594 -1.6594 -1.6594 -1.6594 -0.8982 -0.8982 -0.8982 -0.8982 -0.4860 -0.4860 -0.4860 -0.4860 -0.4040 -0.4040 k =-0.0893 0.0696 0.6917 ( 9562 PWs) bands (ev): -10.0918 -10.0918 -10.0918 -10.0918 -9.6409 -9.6409 -9.6409 -9.6409 -9.4573 -9.4573 -9.4573 -9.4573 -9.2781 -9.2781 -9.2781 -9.2781 -3.8464 -3.8464 -3.8464 -3.8464 -3.5304 -3.5304 -3.5304 -3.5304 -2.2413 -2.2413 -2.2413 -2.2413 -1.8444 -1.8444 -1.8444 -1.8444 -1.6703 -1.6703 -1.6703 -1.6703 -0.8963 -0.8963 -0.8963 -0.8963 -0.5045 -0.5045 -0.5045 -0.5045 -0.4066 -0.4066 k =-0.1071 0.0835 0.6917 ( 9558 PWs) bands (ev): -10.0863 -10.0863 -10.0863 -10.0863 -9.6422 -9.6422 -9.6422 -9.6422 -9.4579 -9.4579 -9.4579 -9.4579 -9.2847 -9.2847 -9.2847 -9.2847 -3.8387 -3.8387 -3.8387 -3.8387 -3.5229 -3.5229 -3.5229 -3.5229 -2.2284 -2.2284 -2.2284 -2.2284 -1.8388 -1.8388 -1.8388 -1.8388 -1.6832 -1.6832 -1.6832 -1.6832 -0.8944 -0.8944 -0.8944 -0.8944 -0.5248 -0.5248 -0.5248 -0.5248 -0.4116 -0.4116 k =-0.1250 0.0974 0.6917 ( 9558 PWs) bands (ev): -10.0799 -10.0799 -10.0799 -10.0799 -9.6438 -9.6438 -9.6438 -9.6438 -9.4585 -9.4585 -9.4585 -9.4585 -9.2923 -9.2923 -9.2923 -9.2923 -3.8297 -3.8297 -3.8297 -3.8297 -3.5142 -3.5142 -3.5142 -3.5142 -2.2134 -2.2134 -2.2134 -2.2134 -1.8322 -1.8322 -1.8322 -1.8322 -1.6979 -1.6979 -1.6979 -1.6979 -0.8926 -0.8926 -0.8926 -0.8926 -0.5467 -0.5467 -0.5467 -0.5467 -0.4189 -0.4189 k =-0.1429 0.1113 0.6917 ( 9572 PWs) bands (ev): -10.0725 -10.0725 -10.0725 -10.0725 -9.6456 -9.6456 -9.6456 -9.6456 -9.4592 -9.4592 -9.4592 -9.4592 -9.3010 -9.3010 -9.3010 -9.3010 -3.8195 -3.8195 -3.8195 -3.8195 -3.5044 -3.5044 -3.5044 -3.5044 -2.1964 -2.1964 -2.1964 -2.1964 -1.8248 -1.8248 -1.8248 -1.8248 -1.7142 -1.7142 -1.7142 -1.7142 -0.8911 -0.8911 -0.8911 -0.8911 -0.5699 -0.5699 -0.5699 -0.5699 -0.4284 -0.4284 k =-0.1607 0.1252 0.6917 ( 9568 PWs) bands (ev): -10.0642 -10.0642 -10.0642 -10.0642 -9.6476 -9.6476 -9.6476 -9.6476 -9.4599 -9.4599 -9.4599 -9.4599 -9.3106 -9.3106 -9.3106 -9.3106 -3.8081 -3.8081 -3.8081 -3.8081 -3.4936 -3.4936 -3.4936 -3.4936 -2.1777 -2.1777 -2.1777 -2.1777 -1.8167 -1.8167 -1.8167 -1.8167 -1.7317 -1.7317 -1.7317 -1.7317 -0.8903 -0.8903 -0.8903 -0.8903 -0.5941 -0.5941 -0.5941 -0.5941 -0.4402 -0.4402 k =-0.1786 0.1391 0.6917 ( 9564 PWs) bands (ev): -10.0550 -10.0550 -10.0550 -10.0550 -9.6498 -9.6498 -9.6498 -9.6498 -9.4607 -9.4607 -9.4607 -9.4607 -9.3211 -9.3211 -9.3211 -9.3211 -3.7956 -3.7956 -3.7956 -3.7956 -3.4818 -3.4818 -3.4818 -3.4818 -2.1576 -2.1576 -2.1576 -2.1576 -1.8079 -1.8079 -1.8079 -1.8079 -1.7500 -1.7500 -1.7500 -1.7500 -0.8904 -0.8904 -0.8904 -0.8904 -0.6189 -0.6189 -0.6189 -0.6189 -0.4540 -0.4540 k =-0.1964 0.1530 0.6917 ( 9572 PWs) bands (ev): -10.0450 -10.0450 -10.0450 -10.0450 -9.6523 -9.6523 -9.6523 -9.6523 -9.4616 -9.4616 -9.4616 -9.4616 -9.3324 -9.3324 -9.3324 -9.3324 -3.7821 -3.7821 -3.7821 -3.7821 -3.4692 -3.4692 -3.4692 -3.4692 -2.1365 -2.1365 -2.1365 -2.1365 -1.7990 -1.7990 -1.7990 -1.7990 -1.7681 -1.7681 -1.7681 -1.7681 -0.8920 -0.8920 -0.8920 -0.8920 -0.6442 -0.6442 -0.6442 -0.6442 -0.4697 -0.4696 k =-0.2143 0.1670 0.6917 ( 9580 PWs) bands (ev): -10.0342 -10.0342 -10.0342 -10.0342 -9.6550 -9.6550 -9.6550 -9.6550 -9.4625 -9.4625 -9.4625 -9.4625 -9.3445 -9.3445 -9.3445 -9.3445 -3.7677 -3.7677 -3.7677 -3.7677 -3.4560 -3.4560 -3.4560 -3.4560 -2.1149 -2.1149 -2.1149 -2.1149 -1.7945 -1.7945 -1.7945 -1.7945 -1.7809 -1.7809 -1.7809 -1.7809 -0.8954 -0.8954 -0.8954 -0.8954 -0.6696 -0.6696 -0.6696 -0.6696 -0.4870 -0.4870 k =-0.2321 0.1809 0.6917 ( 9580 PWs) bands (ev): -10.0226 -10.0226 -10.0226 -10.0226 -9.6579 -9.6579 -9.6579 -9.6579 -9.4634 -9.4634 -9.4634 -9.4634 -9.3572 -9.3572 -9.3572 -9.3572 -3.7526 -3.7526 -3.7526 -3.7526 -3.4422 -3.4422 -3.4422 -3.4422 -2.0937 -2.0937 -2.0937 -2.0937 -1.8068 -1.8068 -1.8068 -1.8068 -1.7751 -1.7751 -1.7750 -1.7750 -0.9012 -0.9012 -0.9012 -0.9012 -0.6948 -0.6948 -0.6948 -0.6948 -0.5058 -0.5058 k =-0.2500 0.1948 0.6917 ( 9596 PWs) bands (ev): -10.0103 -10.0103 -10.0103 -10.0103 -9.6611 -9.6611 -9.6611 -9.6611 -9.4643 -9.4643 -9.4643 -9.4643 -9.3704 -9.3704 -9.3704 -9.3704 -3.7369 -3.7369 -3.7369 -3.7369 -3.4280 -3.4280 -3.4280 -3.4280 -2.0742 -2.0742 -2.0742 -2.0742 -1.8204 -1.8204 -1.8204 -1.8204 -1.7648 -1.7648 -1.7648 -1.7648 -0.9098 -0.9098 -0.9098 -0.9098 -0.7196 -0.7196 -0.7196 -0.7196 -0.5258 -0.5258 k =-0.2679 0.2087 0.6917 ( 9596 PWs) bands (ev): -9.9974 -9.9974 -9.9974 -9.9974 -9.6646 -9.6646 -9.6646 -9.6646 -9.4652 -9.4652 -9.4652 -9.4652 -9.3840 -9.3840 -9.3840 -9.3840 -3.7207 -3.7207 -3.7207 -3.7207 -3.4137 -3.4137 -3.4137 -3.4137 -2.0583 -2.0583 -2.0583 -2.0583 -1.8295 -1.8295 -1.8295 -1.8295 -1.7538 -1.7538 -1.7538 -1.7538 -0.9218 -0.9218 -0.9218 -0.9218 -0.7435 -0.7435 -0.7435 -0.7435 -0.5469 -0.5469 k =-0.2857 0.2226 0.6917 ( 9600 PWs) bands (ev): -9.9839 -9.9839 -9.9839 -9.9839 -9.6683 -9.6683 -9.6683 -9.6683 -9.4661 -9.4661 -9.4661 -9.4661 -9.3978 -9.3978 -9.3978 -9.3978 -3.7043 -3.7043 -3.7043 -3.7043 -3.3992 -3.3992 -3.3992 -3.3992 -2.0482 -2.0482 -2.0482 -2.0482 -1.8315 -1.8315 -1.8315 -1.8315 -1.7427 -1.7427 -1.7427 -1.7427 -0.9375 -0.9375 -0.9375 -0.9375 -0.7664 -0.7664 -0.7664 -0.7664 -0.5687 -0.5687 k =-0.3036 0.2365 0.6917 ( 9594 PWs) bands (ev): -9.9698 -9.9698 -9.9698 -9.9698 -9.6724 -9.6724 -9.6724 -9.6724 -9.4670 -9.4670 -9.4670 -9.4670 -9.4116 -9.4116 -9.4116 -9.4116 -3.6878 -3.6878 -3.6878 -3.6878 -3.3850 -3.3850 -3.3850 -3.3850 -2.0456 -2.0456 -2.0456 -2.0456 -1.8246 -1.8246 -1.8246 -1.8246 -1.7317 -1.7317 -1.7317 -1.7317 -0.9569 -0.9569 -0.9569 -0.9569 -0.7878 -0.7878 -0.7878 -0.7878 -0.5909 -0.5909 k =-0.3214 0.2504 0.6917 ( 9596 PWs) bands (ev): -9.9554 -9.9554 -9.9554 -9.9554 -9.6769 -9.6769 -9.6769 -9.6769 -9.4678 -9.4678 -9.4678 -9.4678 -9.4254 -9.4254 -9.4254 -9.4254 -3.6715 -3.6715 -3.6715 -3.6715 -3.3711 -3.3711 -3.3711 -3.3711 -2.0502 -2.0502 -2.0502 -2.0502 -1.8087 -1.8087 -1.8087 -1.8087 -1.7209 -1.7209 -1.7208 -1.7208 -0.9802 -0.9802 -0.9802 -0.9802 -0.8076 -0.8076 -0.8076 -0.8076 -0.6133 -0.6133 k =-0.3393 0.2644 0.6917 ( 9600 PWs) bands (ev): -9.9406 -9.9406 -9.9406 -9.9406 -9.6819 -9.6819 -9.6819 -9.6819 -9.4686 -9.4686 -9.4686 -9.4686 -9.4388 -9.4388 -9.4388 -9.4388 -3.6555 -3.6555 -3.6555 -3.6555 -3.3577 -3.3577 -3.3577 -3.3577 -2.0601 -2.0601 -2.0601 -2.0601 -1.7857 -1.7857 -1.7857 -1.7857 -1.7104 -1.7104 -1.7104 -1.7104 -1.0068 -1.0068 -1.0068 -1.0068 -0.8255 -0.8255 -0.8255 -0.8255 -0.6357 -0.6357 k =-0.3571 0.2783 0.6917 ( 9614 PWs) bands (ev): -9.9257 -9.9257 -9.9257 -9.9257 -9.6873 -9.6873 -9.6873 -9.6873 -9.4694 -9.4694 -9.4694 -9.4694 -9.4516 -9.4516 -9.4516 -9.4516 -3.6403 -3.6403 -3.6403 -3.6403 -3.3450 -3.3450 -3.3450 -3.3450 -2.0732 -2.0732 -2.0732 -2.0732 -1.7577 -1.7577 -1.7576 -1.7576 -1.7005 -1.7005 -1.7005 -1.7005 -1.0365 -1.0365 -1.0365 -1.0365 -0.8412 -0.8412 -0.8412 -0.8412 -0.6575 -0.6575 k =-0.3750 0.2922 0.6917 ( 9608 PWs) bands (ev): -9.9107 -9.9107 -9.9107 -9.9107 -9.6932 -9.6932 -9.6932 -9.6932 -9.4700 -9.4700 -9.4700 -9.4700 -9.4637 -9.4637 -9.4637 -9.4637 -3.6259 -3.6259 -3.6259 -3.6259 -3.3333 -3.3333 -3.3333 -3.3333 -2.0876 -2.0876 -2.0876 -2.0876 -1.7266 -1.7266 -1.7265 -1.7265 -1.6912 -1.6912 -1.6911 -1.6911 -1.0684 -1.0684 -1.0684 -1.0684 -0.8546 -0.8546 -0.8546 -0.8546 -0.6786 -0.6786 k =-0.3929 0.3061 0.6917 ( 9612 PWs) bands (ev): -9.8959 -9.8959 -9.8959 -9.8959 -9.6996 -9.6996 -9.6996 -9.6996 -9.4748 -9.4748 -9.4748 -9.4748 -9.4706 -9.4706 -9.4706 -9.4706 -3.6128 -3.6128 -3.6128 -3.6128 -3.3227 -3.3227 -3.3227 -3.3227 -2.1021 -2.1021 -2.1021 -2.1021 -1.6954 -1.6954 -1.6952 -1.6952 -1.6811 -1.6811 -1.6809 -1.6809 -1.1019 -1.1019 -1.1019 -1.1019 -0.8657 -0.8657 -0.8657 -0.8657 -0.6985 -0.6985 k =-0.4107 0.3200 0.6917 ( 9612 PWs) bands (ev): -9.8816 -9.8816 -9.8816 -9.8816 -9.7065 -9.7065 -9.7065 -9.7065 -9.4846 -9.4846 -9.4846 -9.4846 -9.4712 -9.4712 -9.4712 -9.4712 -3.6011 -3.6011 -3.6011 -3.6011 -3.3134 -3.3134 -3.3134 -3.3134 -2.1156 -2.1156 -2.1156 -2.1156 -1.6788 -1.6788 -1.6786 -1.6786 -1.6566 -1.6566 -1.6565 -1.6565 -1.1360 -1.1360 -1.1359 -1.1359 -0.8743 -0.8743 -0.8743 -0.8743 -0.7168 -0.7168 k =-0.4286 0.3339 0.6917 ( 9600 PWs) bands (ev): -9.8681 -9.8681 -9.8681 -9.8681 -9.7136 -9.7136 -9.7136 -9.7136 -9.4930 -9.4930 -9.4930 -9.4930 -9.4716 -9.4716 -9.4716 -9.4716 -3.5911 -3.5911 -3.5911 -3.5911 -3.3055 -3.3055 -3.3055 -3.3055 -2.1274 -2.1274 -2.1274 -2.1274 -1.6719 -1.6719 -1.6718 -1.6718 -1.6242 -1.6242 -1.6242 -1.6242 -1.1694 -1.1694 -1.1694 -1.1694 -0.8807 -0.8807 -0.8807 -0.8807 -0.7330 -0.7330 k =-0.4464 0.3478 0.6917 ( 9600 PWs) bands (ev): -9.8561 -9.8561 -9.8561 -9.8561 -9.7205 -9.7205 -9.7205 -9.7205 -9.4996 -9.4996 -9.4996 -9.4996 -9.4719 -9.4719 -9.4719 -9.4719 -3.5831 -3.5831 -3.5831 -3.5831 -3.2992 -3.2992 -3.2992 -3.2992 -2.1372 -2.1372 -2.1372 -2.1372 -1.6669 -1.6669 -1.6669 -1.6669 -1.5935 -1.5935 -1.5934 -1.5934 -1.2005 -1.2005 -1.2005 -1.2005 -0.8851 -0.8851 -0.8851 -0.8851 -0.7465 -0.7465 k =-0.4643 0.3618 0.6917 ( 9620 PWs) bands (ev): -9.8462 -9.8462 -9.8462 -9.8462 -9.7267 -9.7267 -9.7267 -9.7267 -9.5045 -9.5045 -9.5045 -9.5045 -9.4722 -9.4722 -9.4722 -9.4722 -3.5772 -3.5772 -3.5772 -3.5772 -3.2947 -3.2947 -3.2947 -3.2947 -2.1444 -2.1444 -2.1444 -2.1444 -1.6634 -1.6634 -1.6634 -1.6634 -1.5673 -1.5673 -1.5673 -1.5673 -1.2270 -1.2270 -1.2270 -1.2270 -0.8877 -0.8877 -0.8877 -0.8877 -0.7568 -0.7568 k =-0.4821 0.3757 0.6917 ( 9616 PWs) bands (ev): -9.8396 -9.8396 -9.8396 -9.8396 -9.7310 -9.7310 -9.7310 -9.7310 -9.5075 -9.5075 -9.5075 -9.5075 -9.4723 -9.4723 -9.4723 -9.4723 -3.5736 -3.5736 -3.5736 -3.5736 -3.2919 -3.2919 -3.2919 -3.2919 -2.1488 -2.1488 -2.1488 -2.1488 -1.6614 -1.6614 -1.6613 -1.6613 -1.5490 -1.5490 -1.5490 -1.5490 -1.2454 -1.2454 -1.2454 -1.2454 -0.8891 -0.8891 -0.8891 -0.8891 -0.7632 -0.7632 k =-0.5000 0.3896 0.6917 ( 9608 PWs) bands (ev): -9.8372 -9.8372 -9.8372 -9.8372 -9.7326 -9.7326 -9.7326 -9.7326 -9.5085 -9.5085 -9.5085 -9.5085 -9.4724 -9.4724 -9.4724 -9.4724 -3.5724 -3.5724 -3.5724 -3.5724 -3.2910 -3.2910 -3.2910 -3.2910 -2.1503 -2.1503 -2.1503 -2.1503 -1.6607 -1.6607 -1.6607 -1.6607 -1.5424 -1.5424 -1.5424 -1.5424 -1.2521 -1.2521 -1.2521 -1.2521 -0.8895 -0.8895 -0.8895 -0.8895 -0.7654 -0.7654 Writing output data file PH2C3.save init_run : 0.36s CPU 0.57s WALL ( 1 calls) electrons : 332.79s CPU 337.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 332.79s CPU 337.21s 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 : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 296 calls) cegterg : 311.33s CPU 314.58s WALL ( 810 calls) Called by sum_band: Called by *egterg: h_psi : 174.59s CPU 177.43s WALL ( 14386 calls) s_psi : 7.82s CPU 7.88s WALL ( 14386 calls) g_psi : 0.26s CPU 0.30s WALL ( 13280 calls) cdiaghg : 118.24s CPU 119.04s WALL ( 13576 calls) cegterg:over : 10.60s CPU 10.59s WALL ( 13280 calls) cegterg:upda : 8.87s CPU 8.60s WALL ( 13280 calls) cegterg:last : 4.40s CPU 4.41s WALL ( 1712 calls) cdiaghg:chol : 4.74s CPU 4.88s WALL ( 13576 calls) cdiaghg:inve : 1.80s CPU 1.82s WALL ( 13576 calls) cdiaghg:para : 6.39s CPU 6.54s WALL ( 27152 calls) Called by h_psi: h_psi:vloc : 159.02s CPU 161.52s WALL ( 14386 calls) h_psi:vnl : 15.33s CPU 15.64s WALL ( 14386 calls) add_vuspsi : 7.19s CPU 7.24s WALL ( 14386 calls) General routines calbec : 8.06s CPU 8.36s WALL ( 14386 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 152.89s CPU 155.35s WALL ( 903736 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.71s WALL ( 592 calls) Parallel routines fft_scatter : 98.55s CPU 99.93s WALL ( 903759 calls) PWSCF : 6m 2.82s CPU 6m23.06s WALL This run was terminated on: 4:35: 0 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=