Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:27:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxGeAux2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 107 46 13 2771 784 124 Max 108 47 14 2773 804 127 Sum 3857 1677 491 99783 28541 4527 bravais-lattice index = 14 lattice parameter (alat) = 11.3345 a.u. unit-cell volume = 677.4069 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.334525 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.727248 celldm(5)= -0.727248 celldm(6)= 0.454495 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.454495 0.890749 0.000000 ) a(3) = ( -0.727248 -0.445375 0.522257 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.510239 0.957383 ) b(2) = ( 0.000000 1.122651 0.957383 ) b(3) = ( 0.000000 0.000000 1.914766 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [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= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0000000 0.0187722), wk = 0.0030030 k( 3) = ( 0.0000000 0.0000000 0.0375444), wk = 0.0030030 k( 4) = ( 0.0000000 0.0000000 0.0563166), wk = 0.0030030 k( 5) = ( 0.0000000 0.0000000 0.0750889), wk = 0.0030030 k( 6) = ( 0.0000000 0.0000000 0.0938611), wk = 0.0030030 k( 7) = ( 0.0000000 0.0000000 0.1126333), wk = 0.0030030 k( 8) = ( 0.0000000 0.0000000 0.1314055), wk = 0.0030030 k( 9) = ( 0.0000000 0.0000000 0.1501777), wk = 0.0030030 k( 10) = ( 0.0000000 0.0000000 0.1689499), wk = 0.0030030 k( 11) = ( 0.0000000 0.0000000 0.1877222), wk = 0.0030030 k( 12) = ( 0.0000000 0.0000000 0.2064944), wk = 0.0030030 k( 13) = ( 0.0000000 0.0000000 0.2252666), wk = 0.0030030 k( 14) = ( 0.0000000 0.0000000 0.2440388), wk = 0.0030030 k( 15) = ( 0.0000000 0.0000000 0.2628110), wk = 0.0030030 k( 16) = ( 0.0000000 0.0000000 0.2815833), wk = 0.0030030 k( 17) = ( 0.0000000 0.0000000 0.3003555), wk = 0.0030030 k( 18) = ( 0.0000000 0.0000000 0.3191277), wk = 0.0030030 k( 19) = ( 0.0000000 0.0000000 0.3378999), wk = 0.0030030 k( 20) = ( 0.0000000 0.0000000 0.3566721), wk = 0.0030030 k( 21) = ( 0.0000000 0.0000000 0.3754443), wk = 0.0030030 k( 22) = ( 0.0000000 0.0000000 0.3942166), wk = 0.0030030 k( 23) = ( 0.0000000 0.0000000 0.4129888), wk = 0.0030030 k( 24) = ( 0.0000000 0.0000000 0.4317610), wk = 0.0030030 k( 25) = ( 0.0000000 0.0000000 0.4505332), wk = 0.0030030 k( 26) = ( 0.0000000 0.0000000 0.4693054), wk = 0.0030030 k( 27) = ( 0.0000000 0.0000000 0.4880777), wk = 0.0030030 k( 28) = ( 0.0000000 0.0000000 0.5068499), wk = 0.0030030 k( 29) = ( 0.0000000 0.0000000 0.5256221), wk = 0.0030030 k( 30) = ( 0.0000000 0.0000000 0.5443943), wk = 0.0030030 k( 31) = ( 0.0000000 0.0000000 0.5631665), wk = 0.0030030 k( 32) = ( 0.0000000 0.0000000 0.5819387), wk = 0.0030030 k( 33) = ( 0.0000000 0.0000000 0.6007110), wk = 0.0030030 k( 34) = ( 0.0000000 0.0000000 0.6194832), wk = 0.0030030 k( 35) = ( 0.0000000 0.0000000 0.6382554), wk = 0.0030030 k( 36) = ( 0.0000000 0.0000000 0.6570276), wk = 0.0030030 k( 37) = ( 0.0000000 0.0000000 0.6757998), wk = 0.0030030 k( 38) = ( 0.0000000 0.0000000 0.6945720), wk = 0.0030030 k( 39) = ( 0.0000000 0.0000000 0.7133443), wk = 0.0030030 k( 40) = ( 0.0000000 0.0000000 0.7321165), wk = 0.0030030 k( 41) = ( 0.0000000 0.0000000 0.7508887), wk = 0.0030030 k( 42) = ( 0.0000000 0.0000000 0.7696609), wk = 0.0030030 k( 43) = ( 0.0000000 0.0000000 0.7884331), wk = 0.0030030 k( 44) = ( 0.0000000 0.0000000 0.8072054), wk = 0.0030030 k( 45) = ( 0.0000000 0.0000000 0.8259776), wk = 0.0030030 k( 46) = ( 0.0000000 0.0000000 0.8447498), wk = 0.0030030 k( 47) = ( 0.0000000 0.0000000 0.8635220), wk = 0.0030030 k( 48) = ( 0.0000000 0.0000000 0.8822942), wk = 0.0030030 k( 49) = ( 0.0000000 0.0000000 0.9010664), wk = 0.0030030 k( 50) = ( 0.0000000 0.0000000 0.9198387), wk = 0.0030030 k( 51) = ( 0.0000000 0.0000000 0.9386109), wk = 0.0030030 k( 52) = ( 0.0000000 0.0000000 0.9573831), wk = 0.0030030 k( 53) = ( 0.0000000 0.0000000 0.9573831), wk = 0.0030030 k( 54) = ( -0.0093762 0.0153103 0.9573831), wk = 0.0030030 k( 55) = ( -0.0187524 0.0306206 0.9573831), wk = 0.0030030 k( 56) = ( -0.0281286 0.0459308 0.9573831), wk = 0.0030030 k( 57) = ( -0.0375047 0.0612411 0.9573831), wk = 0.0030030 k( 58) = ( -0.0468809 0.0765514 0.9573831), wk = 0.0030030 k( 59) = ( -0.0562571 0.0918617 0.9573831), wk = 0.0030030 k( 60) = ( -0.0656333 0.1071720 0.9573831), wk = 0.0030030 k( 61) = ( -0.0750095 0.1224822 0.9573831), wk = 0.0030030 k( 62) = ( -0.0843857 0.1377925 0.9573831), wk = 0.0030030 k( 63) = ( -0.0937618 0.1531028 0.9573831), wk = 0.0030030 k( 64) = ( -0.0937618 0.1531028 0.9573831), wk = 0.0030030 k( 65) = ( -0.1007660 0.1645397 0.9439719), wk = 0.0030030 k( 66) = ( -0.1077701 0.1759767 0.9305606), wk = 0.0030030 k( 67) = ( -0.1147742 0.1874136 0.9171494), wk = 0.0030030 k( 68) = ( -0.1217783 0.1988505 0.9037382), wk = 0.0030030 k( 69) = ( -0.1287824 0.2102875 0.8903270), wk = 0.0030030 k( 70) = ( -0.1357865 0.2217244 0.8769157), wk = 0.0030030 k( 71) = ( -0.1427906 0.2331613 0.8635045), wk = 0.0030030 k( 72) = ( -0.1497947 0.2445983 0.8500933), wk = 0.0030030 k( 73) = ( -0.1567988 0.2560352 0.8366821), wk = 0.0030030 k( 74) = ( -0.1638029 0.2674721 0.8232708), wk = 0.0030030 k( 75) = ( -0.1708070 0.2789091 0.8098596), wk = 0.0030030 k( 76) = ( -0.1778111 0.2903460 0.7964484), wk = 0.0030030 k( 77) = ( -0.1848152 0.3017829 0.7830372), wk = 0.0030030 k( 78) = ( -0.1918193 0.3132199 0.7696259), wk = 0.0030030 k( 79) = ( -0.1988234 0.3246568 0.7562147), wk = 0.0030030 k( 80) = ( -0.2058275 0.3360937 0.7428035), wk = 0.0030030 k( 81) = ( -0.2128317 0.3475307 0.7293923), wk = 0.0030030 k( 82) = ( -0.2198358 0.3589676 0.7159810), wk = 0.0030030 k( 83) = ( -0.2268399 0.3704045 0.7025698), wk = 0.0030030 k( 84) = ( -0.2338440 0.3818415 0.6891586), wk = 0.0030030 k( 85) = ( -0.2408481 0.3932784 0.6757473), wk = 0.0030030 k( 86) = ( -0.2478522 0.4047153 0.6623361), wk = 0.0030030 k( 87) = ( -0.2548563 0.4161523 0.6489249), wk = 0.0030030 k( 88) = ( -0.2618604 0.4275892 0.6355137), wk = 0.0030030 k( 89) = ( -0.2688645 0.4390261 0.6221025), wk = 0.0030030 k( 90) = ( -0.2758686 0.4504631 0.6086912), wk = 0.0030030 k( 91) = ( -0.2828727 0.4619000 0.5952800), wk = 0.0030030 k( 92) = ( -0.2898768 0.4733369 0.5818688), wk = 0.0030030 k( 93) = ( -0.2968809 0.4847739 0.5684576), wk = 0.0030030 k( 94) = ( -0.2968809 0.4847739 0.5684576), wk = 0.0030030 k( 95) = ( -0.2899767 0.4735001 0.5552376), wk = 0.0030030 k( 96) = ( -0.2830725 0.4622262 0.5420177), wk = 0.0030030 k( 97) = ( -0.2761683 0.4509524 0.5287977), wk = 0.0030030 k( 98) = ( -0.2692641 0.4396786 0.5155778), wk = 0.0030030 k( 99) = ( -0.2623599 0.4284048 0.5023578), wk = 0.0030030 k( 100) = ( -0.2554557 0.4171310 0.4891379), wk = 0.0030030 k( 101) = ( -0.2485515 0.4058572 0.4759179), wk = 0.0030030 k( 102) = ( -0.2416473 0.3945834 0.4626980), wk = 0.0030030 k( 103) = ( -0.2347431 0.3833096 0.4494781), wk = 0.0030030 k( 104) = ( -0.2278389 0.3720358 0.4362581), wk = 0.0030030 k( 105) = ( -0.2209346 0.3607619 0.4230382), wk = 0.0030030 k( 106) = ( -0.2140304 0.3494881 0.4098182), wk = 0.0030030 k( 107) = ( -0.2071262 0.3382143 0.3965983), wk = 0.0030030 k( 108) = ( -0.2002220 0.3269405 0.3833784), wk = 0.0030030 k( 109) = ( -0.1933178 0.3156667 0.3701584), wk = 0.0030030 k( 110) = ( -0.1864136 0.3043929 0.3569385), wk = 0.0030030 k( 111) = ( -0.1795094 0.2931191 0.3437185), wk = 0.0030030 k( 112) = ( -0.1726052 0.2818453 0.3304986), wk = 0.0030030 k( 113) = ( -0.1657010 0.2705715 0.3172786), wk = 0.0030030 k( 114) = ( -0.1587968 0.2592977 0.3040587), wk = 0.0030030 k( 115) = ( -0.1518926 0.2480238 0.2908388), wk = 0.0030030 k( 116) = ( -0.1449884 0.2367500 0.2776188), wk = 0.0030030 k( 117) = ( -0.1380841 0.2254762 0.2643989), wk = 0.0030030 k( 118) = ( -0.1311799 0.2142024 0.2511789), wk = 0.0030030 k( 119) = ( -0.1242757 0.2029286 0.2379590), wk = 0.0030030 k( 120) = ( -0.1173715 0.1916548 0.2247390), wk = 0.0030030 k( 121) = ( -0.1104673 0.1803810 0.2115191), wk = 0.0030030 k( 122) = ( -0.1035631 0.1691072 0.1982991), wk = 0.0030030 k( 123) = ( -0.0966589 0.1578334 0.1850792), wk = 0.0030030 k( 124) = ( -0.0897547 0.1465595 0.1718593), wk = 0.0030030 k( 125) = ( -0.0828505 0.1352857 0.1586393), wk = 0.0030030 k( 126) = ( -0.0759463 0.1240119 0.1454194), wk = 0.0030030 k( 127) = ( -0.0690421 0.1127381 0.1321994), wk = 0.0030030 k( 128) = ( -0.0621379 0.1014643 0.1189795), wk = 0.0030030 k( 129) = ( -0.0552337 0.0901905 0.1057595), wk = 0.0030030 k( 130) = ( -0.0483295 0.0789167 0.0925396), wk = 0.0030030 k( 131) = ( -0.0414252 0.0676429 0.0793197), wk = 0.0030030 k( 132) = ( -0.0345210 0.0563691 0.0660997), wk = 0.0030030 k( 133) = ( -0.0276168 0.0450952 0.0528798), wk = 0.0030030 k( 134) = ( -0.0207126 0.0338214 0.0396598), wk = 0.0030030 k( 135) = ( -0.0138084 0.0225476 0.0264399), wk = 0.0030030 k( 136) = ( -0.0069042 0.0112738 0.0132199), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 139) = ( 0.0161290 0.0098776 0.0000000), wk = 0.0030030 k( 140) = ( 0.0322581 0.0197552 0.0000000), wk = 0.0030030 k( 141) = ( 0.0483871 0.0296328 -0.0000000), wk = 0.0030030 k( 142) = ( 0.0645161 0.0395104 0.0000000), wk = 0.0030030 k( 143) = ( 0.0806452 0.0493880 0.0000000), wk = 0.0030030 k( 144) = ( 0.0967742 0.0592656 0.0000000), wk = 0.0030030 k( 145) = ( 0.1129032 0.0691432 0.0000000), wk = 0.0030030 k( 146) = ( 0.1290323 0.0790208 0.0000000), wk = 0.0030030 k( 147) = ( 0.1451613 0.0888984 0.0000000), wk = 0.0030030 k( 148) = ( 0.1612903 0.0987760 0.0000000), wk = 0.0030030 k( 149) = ( 0.1774194 0.1086536 0.0000000), wk = 0.0030030 k( 150) = ( 0.1935484 0.1185312 0.0000000), wk = 0.0030030 k( 151) = ( 0.2096774 0.1284088 0.0000000), wk = 0.0030030 k( 152) = ( 0.2258064 0.1382864 0.0000000), wk = 0.0030030 k( 153) = ( 0.2419355 0.1481640 0.0000000), wk = 0.0030030 k( 154) = ( 0.2580645 0.1580416 0.0000000), wk = 0.0030030 k( 155) = ( 0.2741936 0.1679192 -0.0000000), wk = 0.0030030 k( 156) = ( 0.2903226 0.1777968 0.0000000), wk = 0.0030030 k( 157) = ( 0.3064516 0.1876744 -0.0000000), wk = 0.0030030 k( 158) = ( 0.3225807 0.1975520 -0.0000000), wk = 0.0030030 k( 159) = ( 0.3387097 0.2074296 0.0000000), wk = 0.0030030 k( 160) = ( 0.3548387 0.2173072 -0.0000000), wk = 0.0030030 k( 161) = ( 0.3709677 0.2271848 0.0000000), wk = 0.0030030 k( 162) = ( 0.3870968 0.2370624 -0.0000000), wk = 0.0030030 k( 163) = ( 0.4032258 0.2469400 0.0000000), wk = 0.0030030 k( 164) = ( 0.4193548 0.2568176 0.0000000), wk = 0.0030030 k( 165) = ( 0.4354839 0.2666952 0.0000000), wk = 0.0030030 k( 166) = ( 0.4516129 0.2765728 0.0000000), wk = 0.0030030 k( 167) = ( 0.4677419 0.2864504 0.0000000), wk = 0.0030030 k( 168) = ( 0.4838710 0.2963280 0.0000000), wk = 0.0030030 k( 169) = ( 0.5000000 0.3062056 0.0000000), wk = 0.0030030 k( 170) = ( 0.5000000 0.3062056 0.0000000), wk = 0.0030030 k( 171) = ( 0.4929959 0.3176425 0.0134112), wk = 0.0030030 k( 172) = ( 0.4859918 0.3290794 0.0268224), wk = 0.0030030 k( 173) = ( 0.4789877 0.3405164 0.0402337), wk = 0.0030030 k( 174) = ( 0.4719836 0.3519533 0.0536449), wk = 0.0030030 k( 175) = ( 0.4649795 0.3633902 0.0670561), wk = 0.0030030 k( 176) = ( 0.4579754 0.3748272 0.0804674), wk = 0.0030030 k( 177) = ( 0.4509713 0.3862641 0.0938786), wk = 0.0030030 k( 178) = ( 0.4439671 0.3977011 0.1072898), wk = 0.0030030 k( 179) = ( 0.4369631 0.4091380 0.1207010), wk = 0.0030030 k( 180) = ( 0.4299589 0.4205749 0.1341123), wk = 0.0030030 k( 181) = ( 0.4229548 0.4320119 0.1475235), wk = 0.0030030 k( 182) = ( 0.4159507 0.4434488 0.1609347), wk = 0.0030030 k( 183) = ( 0.4089466 0.4548857 0.1743459), wk = 0.0030030 k( 184) = ( 0.4019425 0.4663226 0.1877571), wk = 0.0030030 k( 185) = ( 0.3949384 0.4777596 0.2011684), wk = 0.0030030 k( 186) = ( 0.3879343 0.4891965 0.2145796), wk = 0.0030030 k( 187) = ( 0.3809302 0.5006335 0.2279908), wk = 0.0030030 k( 188) = ( 0.3739261 0.5120704 0.2414021), wk = 0.0030030 k( 189) = ( 0.3669220 0.5235073 0.2548133), wk = 0.0030030 k( 190) = ( 0.3599179 0.5349443 0.2682245), wk = 0.0030030 k( 191) = ( 0.3529138 0.5463812 0.2816357), wk = 0.0030030 k( 192) = ( 0.3459097 0.5578181 0.2950470), wk = 0.0030030 k( 193) = ( 0.3389056 0.5692551 0.3084582), wk = 0.0030030 k( 194) = ( 0.3319015 0.5806920 0.3218694), wk = 0.0030030 k( 195) = ( 0.3248973 0.5921289 0.3352806), wk = 0.0030030 k( 196) = ( 0.3178933 0.6035659 0.3486918), wk = 0.0030030 k( 197) = ( 0.3108891 0.6150028 0.3621031), wk = 0.0030030 k( 198) = ( 0.3038850 0.6264397 0.3755143), wk = 0.0030030 k( 199) = ( 0.2968809 0.6378767 0.3889255), wk = 0.0030030 k( 200) = ( 0.2968809 0.6378767 0.3889255), wk = 0.0030030 k( 201) = ( 0.2794173 0.6333736 0.3942059), wk = 0.0030030 k( 202) = ( 0.2619538 0.6288706 0.3994862), wk = 0.0030030 k( 203) = ( 0.2444902 0.6243676 0.4047666), wk = 0.0030030 k( 204) = ( 0.2270266 0.6198646 0.4100469), wk = 0.0030030 k( 205) = ( 0.2095630 0.6153615 0.4153273), wk = 0.0030030 k( 206) = ( 0.1920994 0.6108585 0.4206077), wk = 0.0030030 k( 207) = ( 0.1746358 0.6063555 0.4258880), wk = 0.0030030 k( 208) = ( 0.1571723 0.6018525 0.4311684), wk = 0.0030030 k( 209) = ( 0.1397087 0.5973495 0.4364487), wk = 0.0030030 k( 210) = ( 0.1222451 0.5928464 0.4417291), wk = 0.0030030 k( 211) = ( 0.1047815 0.5883434 0.4470094), wk = 0.0030030 k( 212) = ( 0.0873179 0.5838404 0.4522898), wk = 0.0030030 k( 213) = ( 0.0698543 0.5793374 0.4575701), wk = 0.0030030 k( 214) = ( 0.0523907 0.5748343 0.4628505), wk = 0.0030030 k( 215) = ( 0.0349272 0.5703313 0.4681308), wk = 0.0030030 k( 216) = ( 0.0174636 0.5658283 0.4734112), wk = 0.0030030 k( 217) = ( 0.0000000 0.5613253 0.4786915), wk = 0.0030030 k( 218) = ( 0.0000000 0.5613253 0.4786915), wk = 0.0030030 k( 219) = ( 0.0069444 0.5499858 0.4919885), wk = 0.0030030 k( 220) = ( 0.0138889 0.5386462 0.5052855), wk = 0.0030030 k( 221) = ( 0.0208333 0.5273067 0.5185825), wk = 0.0030030 k( 222) = ( 0.0277778 0.5159672 0.5318795), wk = 0.0030030 k( 223) = ( 0.0347222 0.5046277 0.5451765), wk = 0.0030030 k( 224) = ( 0.0416667 0.4932882 0.5584735), wk = 0.0030030 k( 225) = ( 0.0486111 0.4819487 0.5717705), wk = 0.0030030 k( 226) = ( 0.0555556 0.4706092 0.5850675), wk = 0.0030030 k( 227) = ( 0.0625000 0.4592696 0.5983644), wk = 0.0030030 k( 228) = ( 0.0694444 0.4479301 0.6116614), wk = 0.0030030 k( 229) = ( 0.0763889 0.4365906 0.6249584), wk = 0.0030030 k( 230) = ( 0.0833333 0.4252511 0.6382554), wk = 0.0030030 k( 231) = ( 0.0902778 0.4139116 0.6515524), wk = 0.0030030 k( 232) = ( 0.0972222 0.4025721 0.6648494), wk = 0.0030030 k( 233) = ( 0.1041667 0.3912326 0.6781464), wk = 0.0030030 k( 234) = ( 0.1111111 0.3798931 0.6914433), wk = 0.0030030 k( 235) = ( 0.1180556 0.3685535 0.7047403), wk = 0.0030030 k( 236) = ( 0.1250000 0.3572140 0.7180373), wk = 0.0030030 k( 237) = ( 0.1319444 0.3458745 0.7313343), wk = 0.0030030 k( 238) = ( 0.1388889 0.3345350 0.7446313), wk = 0.0030030 k( 239) = ( 0.1458333 0.3231955 0.7579283), wk = 0.0030030 k( 240) = ( 0.1527778 0.3118560 0.7712253), wk = 0.0030030 k( 241) = ( 0.1597222 0.3005165 0.7845222), wk = 0.0030030 k( 242) = ( 0.1666667 0.2891769 0.7978192), wk = 0.0030030 k( 243) = ( 0.1736111 0.2778374 0.8111162), wk = 0.0030030 k( 244) = ( 0.1805556 0.2664979 0.8244132), wk = 0.0030030 k( 245) = ( 0.1875000 0.2551584 0.8377102), wk = 0.0030030 k( 246) = ( 0.1944444 0.2438189 0.8510072), wk = 0.0030030 k( 247) = ( 0.2013889 0.2324794 0.8643042), wk = 0.0030030 k( 248) = ( 0.2083333 0.2211399 0.8776012), wk = 0.0030030 k( 249) = ( 0.2152778 0.2098004 0.8908982), wk = 0.0030030 k( 250) = ( 0.2222222 0.1984608 0.9041951), wk = 0.0030030 k( 251) = ( 0.2291667 0.1871213 0.9174921), wk = 0.0030030 k( 252) = ( 0.2361111 0.1757818 0.9307891), wk = 0.0030030 k( 253) = ( 0.2430556 0.1644423 0.9440861), wk = 0.0030030 k( 254) = ( 0.2500000 0.1531028 0.9573831), wk = 0.0030030 k( 255) = ( 0.2500000 0.1531028 0.9573831), wk = 0.0030030 k( 256) = ( 0.2631579 0.1611608 0.9479340), wk = 0.0030030 k( 257) = ( 0.2763158 0.1692189 0.9384850), wk = 0.0030030 k( 258) = ( 0.2894737 0.1772769 0.9290359), wk = 0.0030030 k( 259) = ( 0.3026316 0.1853350 0.9195869), wk = 0.0030030 k( 260) = ( 0.3157895 0.1933930 0.9101378), wk = 0.0030030 k( 261) = ( 0.3289474 0.2014510 0.9006888), wk = 0.0030030 k( 262) = ( 0.3421053 0.2095091 0.8912397), wk = 0.0030030 k( 263) = ( 0.3552632 0.2175671 0.8817907), wk = 0.0030030 k( 264) = ( 0.3684211 0.2256252 0.8723416), wk = 0.0030030 k( 265) = ( 0.3815789 0.2336832 0.8628926), wk = 0.0030030 k( 266) = ( 0.3947368 0.2417412 0.8534435), wk = 0.0030030 k( 267) = ( 0.4078947 0.2497993 0.8439944), wk = 0.0030030 k( 268) = ( 0.4210526 0.2578573 0.8345454), wk = 0.0030030 k( 269) = ( 0.4342105 0.2659154 0.8250963), wk = 0.0030030 k( 270) = ( 0.4473684 0.2739734 0.8156473), wk = 0.0030030 k( 271) = ( 0.4605263 0.2820315 0.8061982), wk = 0.0030030 k( 272) = ( 0.4736842 0.2900895 0.7967492), wk = 0.0030030 k( 273) = ( 0.4868421 0.2981475 0.7873001), wk = 0.0030030 k( 274) = ( 0.5000000 0.3062056 0.7778511), wk = 0.0030030 k( 275) = ( 0.5000000 0.3062056 0.7778511), wk = 0.0030030 k( 276) = ( 0.5000000 0.3062056 0.7588791), wk = 0.0030030 k( 277) = ( 0.5000000 0.3062056 0.7399071), wk = 0.0030030 k( 278) = ( 0.5000000 0.3062056 0.7209351), wk = 0.0030030 k( 279) = ( 0.5000000 0.3062056 0.7019632), wk = 0.0030030 k( 280) = ( 0.5000000 0.3062056 0.6829912), wk = 0.0030030 k( 281) = ( 0.5000000 0.3062056 0.6640192), wk = 0.0030030 k( 282) = ( 0.5000000 0.3062056 0.6450472), wk = 0.0030030 k( 283) = ( 0.5000000 0.3062056 0.6260753), wk = 0.0030030 k( 284) = ( 0.5000000 0.3062056 0.6071033), wk = 0.0030030 k( 285) = ( 0.5000000 0.3062056 0.5881313), wk = 0.0030030 k( 286) = ( 0.5000000 0.3062056 0.5691593), wk = 0.0030030 k( 287) = ( 0.5000000 0.3062056 0.5501873), wk = 0.0030030 k( 288) = ( 0.5000000 0.3062056 0.5312154), wk = 0.0030030 k( 289) = ( 0.5000000 0.3062056 0.5122434), wk = 0.0030030 k( 290) = ( 0.5000000 0.3062056 0.4932714), wk = 0.0030030 k( 291) = ( 0.5000000 0.3062056 0.4742994), wk = 0.0030030 k( 292) = ( 0.5000000 0.3062056 0.4553275), wk = 0.0030030 k( 293) = ( 0.5000000 0.3062056 0.4363555), wk = 0.0030030 k( 294) = ( 0.5000000 0.3062056 0.4173835), wk = 0.0030030 k( 295) = ( 0.5000000 0.3062056 0.3984115), wk = 0.0030030 k( 296) = ( 0.5000000 0.3062056 0.3794395), wk = 0.0030030 k( 297) = ( 0.5000000 0.3062056 0.3604676), wk = 0.0030030 k( 298) = ( 0.5000000 0.3062056 0.3414956), wk = 0.0030030 k( 299) = ( 0.5000000 0.3062056 0.3225236), wk = 0.0030030 k( 300) = ( 0.5000000 0.3062056 0.3035516), wk = 0.0030030 k( 301) = ( 0.5000000 0.3062056 0.2845797), wk = 0.0030030 k( 302) = ( 0.5000000 0.3062056 0.2656077), wk = 0.0030030 k( 303) = ( 0.5000000 0.3062056 0.2466357), wk = 0.0030030 k( 304) = ( 0.5000000 0.3062056 0.2276637), wk = 0.0030030 k( 305) = ( 0.5000000 0.3062056 0.2086917), wk = 0.0030030 k( 306) = ( 0.5000000 0.3062056 0.1897198), wk = 0.0030030 k( 307) = ( 0.5000000 0.3062056 0.1707478), wk = 0.0030030 k( 308) = ( 0.5000000 0.3062056 0.1517758), wk = 0.0030030 k( 309) = ( 0.5000000 0.3062056 0.1328038), wk = 0.0030030 k( 310) = ( 0.5000000 0.3062056 0.1138319), wk = 0.0030030 k( 311) = ( 0.5000000 0.3062056 0.0948599), wk = 0.0030030 k( 312) = ( 0.5000000 0.3062056 0.0758879), wk = 0.0030030 k( 313) = ( 0.5000000 0.3062056 0.0569159), wk = 0.0030030 k( 314) = ( 0.5000000 0.3062056 0.0379439), wk = 0.0030030 k( 315) = ( 0.5000000 0.3062056 0.0189720), wk = 0.0030030 k( 316) = ( 0.5000000 0.3062056 0.0000000), wk = 0.0030030 k( 317) = ( 0.0000000 0.0000000 0.9573831), wk = 0.0030030 k( 318) = ( 0.0156250 0.0095689 0.9573831), wk = 0.0030030 k( 319) = ( 0.0312500 0.0191378 0.9573831), wk = 0.0030030 k( 320) = ( 0.0468750 0.0287068 0.9573831), wk = 0.0030030 k( 321) = ( 0.0625000 0.0382757 0.9573831), wk = 0.0030030 k( 322) = ( 0.0781250 0.0478446 0.9573831), wk = 0.0030030 k( 323) = ( 0.0937500 0.0574135 0.9573831), wk = 0.0030030 k( 324) = ( 0.1093750 0.0669825 0.9573831), wk = 0.0030030 k( 325) = ( 0.1250000 0.0765514 0.9573831), wk = 0.0030030 k( 326) = ( 0.1406250 0.0861203 0.9573831), wk = 0.0030030 k( 327) = ( 0.1562500 0.0956892 0.9573831), wk = 0.0030030 k( 328) = ( 0.1718750 0.1052582 0.9573831), wk = 0.0030030 k( 329) = ( 0.1875000 0.1148271 0.9573831), wk = 0.0030030 k( 330) = ( 0.2031250 0.1243960 0.9573831), wk = 0.0030030 k( 331) = ( 0.2187500 0.1339649 0.9573831), wk = 0.0030030 k( 332) = ( 0.2343750 0.1435339 0.9573831), wk = 0.0030030 k( 333) = ( 0.2500000 0.1531028 0.9573831), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0030030 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0030030 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0030030 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0030030 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0030030 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0030030 k( 8) = ( 0.0000000 0.0000000 0.0686274), wk = 0.0030030 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0030030 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0030030 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0030030 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0030030 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0030030 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0030030 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0030030 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0030030 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0030030 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030030 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0030030 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0030030 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0030030 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0030030 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0030030 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0030030 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0030030 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0030030 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0030030 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0030030 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0030030 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0030030 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0030030 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0030030 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0030030 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0030030 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030030 k( 36) = ( 0.0000000 0.0000000 0.3431372), wk = 0.0030030 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0030030 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0030030 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0030030 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0030030 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0030030 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0030030 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0030030 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0030030 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0030030 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0030030 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0030030 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0030030 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0030030 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0030030 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0030030 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 54) = ( -0.0093762 0.0093762 0.5000000), wk = 0.0030030 k( 55) = ( -0.0187524 0.0187524 0.5000000), wk = 0.0030030 k( 56) = ( -0.0281286 0.0281286 0.5000000), wk = 0.0030030 k( 57) = ( -0.0375047 0.0375047 0.5000000), wk = 0.0030030 k( 58) = ( -0.0468809 0.0468809 0.5000000), wk = 0.0030030 k( 59) = ( -0.0562571 0.0562571 0.5000000), wk = 0.0030030 k( 60) = ( -0.0656333 0.0656333 0.5000000), wk = 0.0030030 k( 61) = ( -0.0750095 0.0750095 0.5000000), wk = 0.0030030 k( 62) = ( -0.0843857 0.0843857 0.5000000), wk = 0.0030030 k( 63) = ( -0.0937618 0.0937618 0.5000000), wk = 0.0030030 k( 64) = ( -0.0937618 0.0937618 0.5000000), wk = 0.0030030 k( 65) = ( -0.1007660 0.1007660 0.4929959), wk = 0.0030030 k( 66) = ( -0.1077701 0.1077701 0.4859918), wk = 0.0030030 k( 67) = ( -0.1147742 0.1147742 0.4789877), wk = 0.0030030 k( 68) = ( -0.1217783 0.1217783 0.4719836), wk = 0.0030030 k( 69) = ( -0.1287824 0.1287824 0.4649795), wk = 0.0030030 k( 70) = ( -0.1357865 0.1357865 0.4579754), wk = 0.0030030 k( 71) = ( -0.1427906 0.1427906 0.4509713), wk = 0.0030030 k( 72) = ( -0.1497947 0.1497947 0.4439671), wk = 0.0030030 k( 73) = ( -0.1567988 0.1567988 0.4369631), wk = 0.0030030 k( 74) = ( -0.1638029 0.1638029 0.4299589), wk = 0.0030030 k( 75) = ( -0.1708070 0.1708070 0.4229548), wk = 0.0030030 k( 76) = ( -0.1778111 0.1778111 0.4159507), wk = 0.0030030 k( 77) = ( -0.1848152 0.1848152 0.4089466), wk = 0.0030030 k( 78) = ( -0.1918193 0.1918193 0.4019425), wk = 0.0030030 k( 79) = ( -0.1988234 0.1988234 0.3949384), wk = 0.0030030 k( 80) = ( -0.2058275 0.2058275 0.3879343), wk = 0.0030030 k( 81) = ( -0.2128317 0.2128317 0.3809302), wk = 0.0030030 k( 82) = ( -0.2198358 0.2198358 0.3739261), wk = 0.0030030 k( 83) = ( -0.2268399 0.2268399 0.3669220), wk = 0.0030030 k( 84) = ( -0.2338440 0.2338440 0.3599179), wk = 0.0030030 k( 85) = ( -0.2408481 0.2408481 0.3529138), wk = 0.0030030 k( 86) = ( -0.2478522 0.2478522 0.3459097), wk = 0.0030030 k( 87) = ( -0.2548563 0.2548563 0.3389056), wk = 0.0030030 k( 88) = ( -0.2618604 0.2618604 0.3319015), wk = 0.0030030 k( 89) = ( -0.2688645 0.2688645 0.3248973), wk = 0.0030030 k( 90) = ( -0.2758686 0.2758686 0.3178933), wk = 0.0030030 k( 91) = ( -0.2828727 0.2828727 0.3108891), wk = 0.0030030 k( 92) = ( -0.2898768 0.2898768 0.3038850), wk = 0.0030030 k( 93) = ( -0.2968809 0.2968809 0.2968809), wk = 0.0030030 k( 94) = ( -0.2968809 0.2968809 0.2968809), wk = 0.0030030 k( 95) = ( -0.2899767 0.2899767 0.2899767), wk = 0.0030030 k( 96) = ( -0.2830725 0.2830725 0.2830725), wk = 0.0030030 k( 97) = ( -0.2761683 0.2761683 0.2761683), wk = 0.0030030 k( 98) = ( -0.2692641 0.2692641 0.2692641), wk = 0.0030030 k( 99) = ( -0.2623599 0.2623599 0.2623599), wk = 0.0030030 k( 100) = ( -0.2554557 0.2554557 0.2554557), wk = 0.0030030 k( 101) = ( -0.2485515 0.2485515 0.2485515), wk = 0.0030030 k( 102) = ( -0.2416473 0.2416473 0.2416473), wk = 0.0030030 k( 103) = ( -0.2347431 0.2347431 0.2347431), wk = 0.0030030 k( 104) = ( -0.2278389 0.2278388 0.2278389), wk = 0.0030030 k( 105) = ( -0.2209346 0.2209346 0.2209346), wk = 0.0030030 k( 106) = ( -0.2140304 0.2140304 0.2140304), wk = 0.0030030 k( 107) = ( -0.2071262 0.2071262 0.2071262), wk = 0.0030030 k( 108) = ( -0.2002220 0.2002220 0.2002220), wk = 0.0030030 k( 109) = ( -0.1933178 0.1933178 0.1933178), wk = 0.0030030 k( 110) = ( -0.1864136 0.1864136 0.1864136), wk = 0.0030030 k( 111) = ( -0.1795094 0.1795094 0.1795094), wk = 0.0030030 k( 112) = ( -0.1726052 0.1726052 0.1726052), wk = 0.0030030 k( 113) = ( -0.1657010 0.1657010 0.1657010), wk = 0.0030030 k( 114) = ( -0.1587968 0.1587968 0.1587968), wk = 0.0030030 k( 115) = ( -0.1518926 0.1518926 0.1518926), wk = 0.0030030 k( 116) = ( -0.1449884 0.1449884 0.1449884), wk = 0.0030030 k( 117) = ( -0.1380841 0.1380841 0.1380841), wk = 0.0030030 k( 118) = ( -0.1311799 0.1311799 0.1311799), wk = 0.0030030 k( 119) = ( -0.1242757 0.1242757 0.1242757), wk = 0.0030030 k( 120) = ( -0.1173715 0.1173715 0.1173715), wk = 0.0030030 k( 121) = ( -0.1104673 0.1104673 0.1104673), wk = 0.0030030 k( 122) = ( -0.1035631 0.1035631 0.1035631), wk = 0.0030030 k( 123) = ( -0.0966589 0.0966589 0.0966589), wk = 0.0030030 k( 124) = ( -0.0897547 0.0897547 0.0897547), wk = 0.0030030 k( 125) = ( -0.0828505 0.0828505 0.0828505), wk = 0.0030030 k( 126) = ( -0.0759463 0.0759463 0.0759463), wk = 0.0030030 k( 127) = ( -0.0690421 0.0690421 0.0690421), wk = 0.0030030 k( 128) = ( -0.0621379 0.0621379 0.0621379), wk = 0.0030030 k( 129) = ( -0.0552337 0.0552337 0.0552337), wk = 0.0030030 k( 130) = ( -0.0483295 0.0483295 0.0483295), wk = 0.0030030 k( 131) = ( -0.0414252 0.0414252 0.0414252), wk = 0.0030030 k( 132) = ( -0.0345210 0.0345210 0.0345210), wk = 0.0030030 k( 133) = ( -0.0276168 0.0276168 0.0276168), wk = 0.0030030 k( 134) = ( -0.0207126 0.0207126 0.0207126), wk = 0.0030030 k( 135) = ( -0.0138084 0.0138084 0.0138084), wk = 0.0030030 k( 136) = ( -0.0069042 0.0069042 0.0069042), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 139) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0030030 k( 140) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0030030 k( 141) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0030030 k( 142) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0030030 k( 143) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0030030 k( 144) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0030030 k( 145) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0030030 k( 146) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0030030 k( 147) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0030030 k( 148) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0030030 k( 149) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0030030 k( 150) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0030030 k( 151) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0030030 k( 152) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0030030 k( 153) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0030030 k( 154) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0030030 k( 155) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0030030 k( 156) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0030030 k( 157) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0030030 k( 158) = ( 0.3225807 0.3225806 -0.3225807), wk = 0.0030030 k( 159) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0030030 k( 160) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0030030 k( 161) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0030030 k( 162) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0030030 k( 163) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0030030 k( 164) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0030030 k( 165) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0030030 k( 166) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0030030 k( 167) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0030030 k( 168) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0030030 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 171) = ( 0.4929959 0.5070041 -0.4929959), wk = 0.0030030 k( 172) = ( 0.4859918 0.5140082 -0.4859918), wk = 0.0030030 k( 173) = ( 0.4789877 0.5210123 -0.4789877), wk = 0.0030030 k( 174) = ( 0.4719836 0.5280164 -0.4719836), wk = 0.0030030 k( 175) = ( 0.4649795 0.5350205 -0.4649795), wk = 0.0030030 k( 176) = ( 0.4579754 0.5420246 -0.4579754), wk = 0.0030030 k( 177) = ( 0.4509713 0.5490287 -0.4509713), wk = 0.0030030 k( 178) = ( 0.4439671 0.5560329 -0.4439671), wk = 0.0030030 k( 179) = ( 0.4369631 0.5630369 -0.4369631), wk = 0.0030030 k( 180) = ( 0.4299589 0.5700411 -0.4299589), wk = 0.0030030 k( 181) = ( 0.4229548 0.5770452 -0.4229548), wk = 0.0030030 k( 182) = ( 0.4159507 0.5840493 -0.4159507), wk = 0.0030030 k( 183) = ( 0.4089466 0.5910534 -0.4089466), wk = 0.0030030 k( 184) = ( 0.4019425 0.5980575 -0.4019425), wk = 0.0030030 k( 185) = ( 0.3949384 0.6050616 -0.3949384), wk = 0.0030030 k( 186) = ( 0.3879343 0.6120657 -0.3879343), wk = 0.0030030 k( 187) = ( 0.3809302 0.6190698 -0.3809302), wk = 0.0030030 k( 188) = ( 0.3739261 0.6260739 -0.3739261), wk = 0.0030030 k( 189) = ( 0.3669220 0.6330780 -0.3669220), wk = 0.0030030 k( 190) = ( 0.3599179 0.6400821 -0.3599179), wk = 0.0030030 k( 191) = ( 0.3529138 0.6470862 -0.3529138), wk = 0.0030030 k( 192) = ( 0.3459097 0.6540903 -0.3459097), wk = 0.0030030 k( 193) = ( 0.3389056 0.6610944 -0.3389056), wk = 0.0030030 k( 194) = ( 0.3319015 0.6680985 -0.3319015), wk = 0.0030030 k( 195) = ( 0.3248973 0.6751026 -0.3248973), wk = 0.0030030 k( 196) = ( 0.3178933 0.6821067 -0.3178932), wk = 0.0030030 k( 197) = ( 0.3108891 0.6891109 -0.3108891), wk = 0.0030030 k( 198) = ( 0.3038850 0.6961150 -0.3038850), wk = 0.0030030 k( 199) = ( 0.2968809 0.7031191 -0.2968809), wk = 0.0030030 k( 200) = ( 0.2968809 0.7031191 -0.2968809), wk = 0.0030030 k( 201) = ( 0.2794173 0.6911709 -0.2794173), wk = 0.0030030 k( 202) = ( 0.2619538 0.6792227 -0.2619538), wk = 0.0030030 k( 203) = ( 0.2444902 0.6672745 -0.2444902), wk = 0.0030030 k( 204) = ( 0.2270266 0.6553263 -0.2270266), wk = 0.0030030 k( 205) = ( 0.2095630 0.6433782 -0.2095630), wk = 0.0030030 k( 206) = ( 0.1920994 0.6314300 -0.1920994), wk = 0.0030030 k( 207) = ( 0.1746358 0.6194818 -0.1746358), wk = 0.0030030 k( 208) = ( 0.1571723 0.6075336 -0.1571723), wk = 0.0030030 k( 209) = ( 0.1397087 0.5955854 -0.1397087), wk = 0.0030030 k( 210) = ( 0.1222451 0.5836373 -0.1222451), wk = 0.0030030 k( 211) = ( 0.1047815 0.5716891 -0.1047815), wk = 0.0030030 k( 212) = ( 0.0873179 0.5597409 -0.0873179), wk = 0.0030030 k( 213) = ( 0.0698543 0.5477927 -0.0698543), wk = 0.0030030 k( 214) = ( 0.0523907 0.5358445 -0.0523908), wk = 0.0030030 k( 215) = ( 0.0349272 0.5238964 -0.0349272), wk = 0.0030030 k( 216) = ( 0.0174636 0.5119482 -0.0174636), wk = 0.0030030 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030030 k( 218) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030030 k( 219) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0030030 k( 220) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0030030 k( 221) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0030030 k( 222) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0030030 k( 223) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0030030 k( 224) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0030030 k( 225) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0030030 k( 226) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0030030 k( 227) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030030 k( 228) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0030030 k( 229) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0030030 k( 230) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0030030 k( 231) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0030030 k( 232) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0030030 k( 233) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0030030 k( 234) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0030030 k( 235) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0030030 k( 236) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030030 k( 237) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0030030 k( 238) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0030030 k( 239) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0030030 k( 240) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0030030 k( 241) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0030030 k( 242) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0030030 k( 243) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0030030 k( 244) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0030030 k( 245) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030030 k( 246) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0030030 k( 247) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0030030 k( 248) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0030030 k( 249) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0030030 k( 250) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0030030 k( 251) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0030030 k( 252) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0030030 k( 253) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0030030 k( 254) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 k( 255) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 k( 256) = ( 0.2631579 0.2631579 0.2319073), wk = 0.0030030 k( 257) = ( 0.2763158 0.2763158 0.2138145), wk = 0.0030030 k( 258) = ( 0.2894737 0.2894737 0.1957218), wk = 0.0030030 k( 259) = ( 0.3026316 0.3026316 0.1776291), wk = 0.0030030 k( 260) = ( 0.3157895 0.3157895 0.1595363), wk = 0.0030030 k( 261) = ( 0.3289474 0.3289474 0.1414436), wk = 0.0030030 k( 262) = ( 0.3421053 0.3421053 0.1233509), wk = 0.0030030 k( 263) = ( 0.3552632 0.3552632 0.1052582), wk = 0.0030030 k( 264) = ( 0.3684211 0.3684210 0.0871654), wk = 0.0030030 k( 265) = ( 0.3815789 0.3815789 0.0690727), wk = 0.0030030 k( 266) = ( 0.3947368 0.3947368 0.0509800), wk = 0.0030030 k( 267) = ( 0.4078947 0.4078947 0.0328872), wk = 0.0030030 k( 268) = ( 0.4210526 0.4210526 0.0147945), wk = 0.0030030 k( 269) = ( 0.4342105 0.4342105 -0.0032982), wk = 0.0030030 k( 270) = ( 0.4473684 0.4473684 -0.0213909), wk = 0.0030030 k( 271) = ( 0.4605263 0.4605263 -0.0394837), wk = 0.0030030 k( 272) = ( 0.4736842 0.4736842 -0.0575764), wk = 0.0030030 k( 273) = ( 0.4868421 0.4868421 -0.0756691), wk = 0.0030030 k( 274) = ( 0.5000000 0.5000000 -0.0937619), wk = 0.0030030 k( 275) = ( 0.5000000 0.5000000 -0.0937619), wk = 0.0030030 k( 276) = ( 0.5000000 0.5000000 -0.1036701), wk = 0.0030030 k( 277) = ( 0.5000000 0.5000000 -0.1135784), wk = 0.0030030 k( 278) = ( 0.5000000 0.5000000 -0.1234866), wk = 0.0030030 k( 279) = ( 0.5000000 0.5000000 -0.1333948), wk = 0.0030030 k( 280) = ( 0.5000000 0.5000000 -0.1433031), wk = 0.0030030 k( 281) = ( 0.5000000 0.5000000 -0.1532113), wk = 0.0030030 k( 282) = ( 0.5000000 0.5000000 -0.1631196), wk = 0.0030030 k( 283) = ( 0.5000000 0.5000000 -0.1730278), wk = 0.0030030 k( 284) = ( 0.5000000 0.5000000 -0.1829361), wk = 0.0030030 k( 285) = ( 0.5000000 0.5000000 -0.1928443), wk = 0.0030030 k( 286) = ( 0.5000000 0.5000000 -0.2027526), wk = 0.0030030 k( 287) = ( 0.5000000 0.5000000 -0.2126608), wk = 0.0030030 k( 288) = ( 0.5000000 0.5000000 -0.2225691), wk = 0.0030030 k( 289) = ( 0.5000000 0.5000000 -0.2324773), wk = 0.0030030 k( 290) = ( 0.5000000 0.5000000 -0.2423856), wk = 0.0030030 k( 291) = ( 0.5000000 0.5000000 -0.2522938), wk = 0.0030030 k( 292) = ( 0.5000000 0.5000000 -0.2622021), wk = 0.0030030 k( 293) = ( 0.5000000 0.5000000 -0.2721103), wk = 0.0030030 k( 294) = ( 0.5000000 0.5000000 -0.2820186), wk = 0.0030030 k( 295) = ( 0.5000000 0.5000000 -0.2919268), wk = 0.0030030 k( 296) = ( 0.5000000 0.5000000 -0.3018350), wk = 0.0030030 k( 297) = ( 0.5000000 0.5000000 -0.3117433), wk = 0.0030030 k( 298) = ( 0.5000000 0.5000000 -0.3216516), wk = 0.0030030 k( 299) = ( 0.5000000 0.5000000 -0.3315598), wk = 0.0030030 k( 300) = ( 0.5000000 0.5000000 -0.3414680), wk = 0.0030030 k( 301) = ( 0.5000000 0.5000000 -0.3513763), wk = 0.0030030 k( 302) = ( 0.5000000 0.5000000 -0.3612845), wk = 0.0030030 k( 303) = ( 0.5000000 0.5000000 -0.3711928), wk = 0.0030030 k( 304) = ( 0.5000000 0.5000000 -0.3811010), wk = 0.0030030 k( 305) = ( 0.5000000 0.5000000 -0.3910093), wk = 0.0030030 k( 306) = ( 0.5000000 0.5000000 -0.4009175), wk = 0.0030030 k( 307) = ( 0.5000000 0.5000000 -0.4108258), wk = 0.0030030 k( 308) = ( 0.5000000 0.5000000 -0.4207340), wk = 0.0030030 k( 309) = ( 0.5000000 0.5000000 -0.4306423), wk = 0.0030030 k( 310) = ( 0.5000000 0.5000000 -0.4405505), wk = 0.0030030 k( 311) = ( 0.5000000 0.5000000 -0.4504588), wk = 0.0030030 k( 312) = ( 0.5000000 0.5000000 -0.4603670), wk = 0.0030030 k( 313) = ( 0.5000000 0.5000000 -0.4702753), wk = 0.0030030 k( 314) = ( 0.5000000 0.5000000 -0.4801835), wk = 0.0030030 k( 315) = ( 0.5000000 0.5000000 -0.4900917), wk = 0.0030030 k( 316) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030030 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 318) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0030030 k( 319) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030030 k( 320) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0030030 k( 321) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030030 k( 322) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0030030 k( 323) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030030 k( 324) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0030030 k( 325) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030030 k( 326) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0030030 k( 327) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030030 k( 328) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0030030 k( 329) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030030 k( 330) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0030030 k( 331) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030030 k( 332) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0030030 k( 333) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030030 Dense grid: 99783 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 28541 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 224, 48) NL pseudopotentials 0.22 Mb ( 112, 130) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.02 Mb ( 2772) G-vector shells 0.01 Mb ( 1289) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 224, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) The potential is recalculated from file : ./CaxGeAux2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 10.0 secs Computing kpt #: 11 total cpu time spent up to now is 11.4 secs Computing kpt #: 12 total cpu time spent up to now is 12.3 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.7 secs Computing kpt #: 17 total cpu time spent up to now is 16.6 secs Computing kpt #: 18 total cpu time spent up to now is 17.7 secs Computing kpt #: 19 total cpu time spent up to now is 18.8 secs Computing kpt #: 20 total cpu time spent up to now is 19.8 secs Computing kpt #: 21 total cpu time spent up to now is 20.7 secs Computing kpt #: 22 total cpu time spent up to now is 21.6 secs Computing kpt #: 23 total cpu time spent up to now is 22.6 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.9 secs Computing kpt #: 26 total cpu time spent up to now is 25.9 secs Computing kpt #: 27 total cpu time spent up to now is 26.8 secs Computing kpt #: 28 total cpu time spent up to now is 27.6 secs Computing kpt #: 29 total cpu time spent up to now is 28.4 secs Computing kpt #: 30 total cpu time spent up to now is 29.2 secs Computing kpt #: 31 total cpu time spent up to now is 30.0 secs Computing kpt #: 32 total cpu time spent up to now is 30.7 secs Computing kpt #: 33 total cpu time spent up to now is 31.5 secs Computing kpt #: 34 total cpu time spent up to now is 32.2 secs Computing kpt #: 35 total cpu time spent up to now is 32.9 secs Computing kpt #: 36 total cpu time spent up to now is 33.6 secs Computing kpt #: 37 total cpu time spent up to now is 34.4 secs Computing kpt #: 38 total cpu time spent up to now is 35.2 secs Computing kpt #: 39 total cpu time spent up to now is 35.9 secs Computing kpt #: 40 total cpu time spent up to now is 36.7 secs Computing kpt #: 41 total cpu time spent up to now is 37.6 secs Computing kpt #: 42 total cpu time spent up to now is 38.4 secs Computing kpt #: 43 total cpu time spent up to now is 39.2 secs Computing kpt #: 44 total cpu time spent up to now is 40.0 secs Computing kpt #: 45 total cpu time spent up to now is 40.8 secs Computing kpt #: 46 total cpu time spent up to now is 41.6 secs Computing kpt #: 47 total cpu time spent up to now is 42.4 secs Computing kpt #: 48 total cpu time spent up to now is 43.2 secs Computing kpt #: 49 total cpu time spent up to now is 44.0 secs Computing kpt #: 50 total cpu time spent up to now is 44.7 secs Computing kpt #: 51 total cpu time spent up to now is 45.5 secs Computing kpt #: 52 total cpu time spent up to now is 46.3 secs Computing kpt #: 53 total cpu time spent up to now is 47.1 secs Computing kpt #: 54 total cpu time spent up to now is 47.9 secs Computing kpt #: 55 total cpu time spent up to now is 48.8 secs Computing kpt #: 56 total cpu time spent up to now is 49.6 secs Computing kpt #: 57 total cpu time spent up to now is 50.5 secs Computing kpt #: 58 total cpu time spent up to now is 51.4 secs Computing kpt #: 59 total cpu time spent up to now is 52.4 secs Computing kpt #: 60 total cpu time spent up to now is 53.4 secs Computing kpt #: 61 total cpu time spent up to now is 54.5 secs Computing kpt #: 62 total cpu time spent up to now is 55.7 secs Computing kpt #: 63 total cpu time spent up to now is 57.1 secs Computing kpt #: 64 total cpu time spent up to now is 58.5 secs Computing kpt #: 65 total cpu time spent up to now is 59.8 secs Computing kpt #: 66 total cpu time spent up to now is 60.9 secs Computing kpt #: 67 total cpu time spent up to now is 62.0 secs Computing kpt #: 68 total cpu time spent up to now is 63.2 secs Computing kpt #: 69 total cpu time spent up to now is 64.3 secs Computing kpt #: 70 total cpu time spent up to now is 65.3 secs Computing kpt #: 71 total cpu time spent up to now is 66.3 secs Computing kpt #: 72 total cpu time spent up to now is 67.2 secs Computing kpt #: 73 total cpu time spent up to now is 68.2 secs Computing kpt #: 74 total cpu time spent up to now is 69.2 secs Computing kpt #: 75 total cpu time spent up to now is 70.1 secs Computing kpt #: 76 total cpu time spent up to now is 71.1 secs Computing kpt #: 77 total cpu time spent up to now is 72.0 secs Computing kpt #: 78 total cpu time spent up to now is 72.9 secs Computing kpt #: 79 total cpu time spent up to now is 73.8 secs Computing kpt #: 80 total cpu time spent up to now is 74.7 secs Computing kpt #: 81 total cpu time spent up to now is 75.6 secs Computing kpt #: 82 total cpu time spent up to now is 76.4 secs Computing kpt #: 83 total cpu time spent up to now is 77.3 secs Computing kpt #: 84 total cpu time spent up to now is 78.0 secs Computing kpt #: 85 total cpu time spent up to now is 78.9 secs Computing kpt #: 86 total cpu time spent up to now is 79.7 secs Computing kpt #: 87 total cpu time spent up to now is 80.6 secs Computing kpt #: 88 total cpu time spent up to now is 81.4 secs Computing kpt #: 89 total cpu time spent up to now is 82.3 secs Computing kpt #: 90 total cpu time spent up to now is 83.1 secs Computing kpt #: 91 total cpu time spent up to now is 83.9 secs Computing kpt #: 92 total cpu time spent up to now is 84.8 secs Computing kpt #: 93 total cpu time spent up to now is 85.6 secs Computing kpt #: 94 total cpu time spent up to now is 86.4 secs Computing kpt #: 95 total cpu time spent up to now is 87.2 secs Computing kpt #: 96 total cpu time spent up to now is 88.1 secs Computing kpt #: 97 total cpu time spent up to now is 88.9 secs Computing kpt #: 98 total cpu time spent up to now is 89.8 secs Computing kpt #: 99 total cpu time spent up to now is 90.7 secs Computing kpt #: 100 total cpu time spent up to now is 91.5 secs Computing kpt #: 101 total cpu time spent up to now is 92.5 secs Computing kpt #: 102 total cpu time spent up to now is 93.4 secs Computing kpt #: 103 total cpu time spent up to now is 94.3 secs Computing kpt #: 104 total cpu time spent up to now is 95.3 secs Computing kpt #: 105 total cpu time spent up to now is 96.1 secs Computing kpt #: 106 total cpu time spent up to now is 97.0 secs Computing kpt #: 107 total cpu time spent up to now is 97.9 secs Computing kpt #: 108 total cpu time spent up to now is 98.9 secs Computing kpt #: 109 total cpu time spent up to now is 99.7 secs Computing kpt #: 110 total cpu time spent up to now is 100.7 secs Computing kpt #: 111 total cpu time spent up to now is 101.6 secs Computing kpt #: 112 total cpu time spent up to now is 102.5 secs Computing kpt #: 113 total cpu time spent up to now is 103.5 secs Computing kpt #: 114 total cpu time spent up to now is 104.4 secs Computing kpt #: 115 total cpu time spent up to now is 105.4 secs Computing kpt #: 116 total cpu time spent up to now is 106.3 secs Computing kpt #: 117 total cpu time spent up to now is 107.3 secs Computing kpt #: 118 total cpu time spent up to now is 108.2 secs Computing kpt #: 119 total cpu time spent up to now is 109.3 secs Computing kpt #: 120 total cpu time spent up to now is 110.5 secs Computing kpt #: 121 total cpu time spent up to now is 111.7 secs Computing kpt #: 122 total cpu time spent up to now is 112.7 secs Computing kpt #: 123 total cpu time spent up to now is 113.9 secs Computing kpt #: 124 total cpu time spent up to now is 115.1 secs Computing kpt #: 125 total cpu time spent up to now is 116.0 secs Computing kpt #: 126 total cpu time spent up to now is 117.0 secs Computing kpt #: 127 total cpu time spent up to now is 117.8 secs Computing kpt #: 128 total cpu time spent up to now is 118.7 secs Computing kpt #: 129 total cpu time spent up to now is 119.5 secs Computing kpt #: 130 total cpu time spent up to now is 120.3 secs Computing kpt #: 131 total cpu time spent up to now is 121.1 secs Computing kpt #: 132 total cpu time spent up to now is 121.9 secs Computing kpt #: 133 total cpu time spent up to now is 122.6 secs Computing kpt #: 134 total cpu time spent up to now is 123.3 secs Computing kpt #: 135 total cpu time spent up to now is 124.0 secs Computing kpt #: 136 total cpu time spent up to now is 124.6 secs Computing kpt #: 137 total cpu time spent up to now is 125.3 secs Computing kpt #: 138 total cpu time spent up to now is 125.9 secs Computing kpt #: 139 total cpu time spent up to now is 126.6 secs Computing kpt #: 140 total cpu time spent up to now is 127.3 secs Computing kpt #: 141 total cpu time spent up to now is 128.0 secs Computing kpt #: 142 total cpu time spent up to now is 128.6 secs Computing kpt #: 143 total cpu time spent up to now is 129.3 secs Computing kpt #: 144 total cpu time spent up to now is 130.1 secs Computing kpt #: 145 total cpu time spent up to now is 130.9 secs Computing kpt #: 146 total cpu time spent up to now is 131.6 secs Computing kpt #: 147 total cpu time spent up to now is 132.3 secs Computing kpt #: 148 total cpu time spent up to now is 133.1 secs Computing kpt #: 149 total cpu time spent up to now is 133.8 secs Computing kpt #: 150 total cpu time spent up to now is 134.5 secs Computing kpt #: 151 total cpu time spent up to now is 135.3 secs Computing kpt #: 152 total cpu time spent up to now is 136.1 secs Computing kpt #: 153 total cpu time spent up to now is 136.9 secs Computing kpt #: 154 total cpu time spent up to now is 137.7 secs Computing kpt #: 155 total cpu time spent up to now is 138.6 secs Computing kpt #: 156 total cpu time spent up to now is 139.7 secs Computing kpt #: 157 total cpu time spent up to now is 140.9 secs Computing kpt #: 158 total cpu time spent up to now is 141.9 secs Computing kpt #: 159 total cpu time spent up to now is 142.7 secs Computing kpt #: 160 total cpu time spent up to now is 143.6 secs Computing kpt #: 161 total cpu time spent up to now is 144.5 secs Computing kpt #: 162 total cpu time spent up to now is 145.7 secs Computing kpt #: 163 total cpu time spent up to now is 146.7 secs Computing kpt #: 164 total cpu time spent up to now is 147.7 secs Computing kpt #: 165 total cpu time spent up to now is 148.9 secs Computing kpt #: 166 total cpu time spent up to now is 150.2 secs Computing kpt #: 167 total cpu time spent up to now is 151.5 secs Computing kpt #: 168 total cpu time spent up to now is 152.8 secs Computing kpt #: 169 total cpu time spent up to now is 154.1 secs Computing kpt #: 170 total cpu time spent up to now is 155.3 secs Computing kpt #: 171 total cpu time spent up to now is 156.6 secs Computing kpt #: 172 total cpu time spent up to now is 157.9 secs Computing kpt #: 173 total cpu time spent up to now is 159.3 secs Computing kpt #: 174 total cpu time spent up to now is 160.8 secs Computing kpt #: 175 total cpu time spent up to now is 162.3 secs Computing kpt #: 176 total cpu time spent up to now is 163.9 secs Computing kpt #: 177 total cpu time spent up to now is 165.0 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.8 secs Computing kpt #: 179 total cpu time spent up to now is 167.8 secs Computing kpt #: 180 total cpu time spent up to now is 168.9 secs Computing kpt #: 181 total cpu time spent up to now is 169.8 secs Computing kpt #: 182 total cpu time spent up to now is 170.8 secs Computing kpt #: 183 total cpu time spent up to now is 171.7 secs Computing kpt #: 184 total cpu time spent up to now is 172.7 secs Computing kpt #: 185 total cpu time spent up to now is 173.8 secs Computing kpt #: 186 total cpu time spent up to now is 174.8 secs Computing kpt #: 187 total cpu time spent up to now is 175.9 secs Computing kpt #: 188 total cpu time spent up to now is 176.9 secs Computing kpt #: 189 total cpu time spent up to now is 177.9 secs Computing kpt #: 190 total cpu time spent up to now is 179.0 secs Computing kpt #: 191 total cpu time spent up to now is 179.9 secs Computing kpt #: 192 total cpu time spent up to now is 180.8 secs Computing kpt #: 193 total cpu time spent up to now is 181.6 secs Computing kpt #: 194 total cpu time spent up to now is 182.5 secs Computing kpt #: 195 total cpu time spent up to now is 183.4 secs Computing kpt #: 196 total cpu time spent up to now is 184.2 secs Computing kpt #: 197 total cpu time spent up to now is 185.1 secs Computing kpt #: 198 total cpu time spent up to now is 186.0 secs Computing kpt #: 199 total cpu time spent up to now is 186.8 secs Computing kpt #: 200 total cpu time spent up to now is 187.6 secs Computing kpt #: 201 total cpu time spent up to now is 188.5 secs Computing kpt #: 202 total cpu time spent up to now is 189.3 secs Computing kpt #: 203 total cpu time spent up to now is 190.1 secs Computing kpt #: 204 total cpu time spent up to now is 191.0 secs Computing kpt #: 205 total cpu time spent up to now is 191.8 secs Computing kpt #: 206 total cpu time spent up to now is 192.6 secs Computing kpt #: 207 total cpu time spent up to now is 193.4 secs Computing kpt #: 208 total cpu time spent up to now is 194.1 secs Computing kpt #: 209 total cpu time spent up to now is 194.8 secs Computing kpt #: 210 total cpu time spent up to now is 195.6 secs Computing kpt #: 211 total cpu time spent up to now is 196.3 secs Computing kpt #: 212 total cpu time spent up to now is 197.1 secs Computing kpt #: 213 total cpu time spent up to now is 197.8 secs Computing kpt #: 214 total cpu time spent up to now is 198.5 secs Computing kpt #: 215 total cpu time spent up to now is 199.2 secs Computing kpt #: 216 total cpu time spent up to now is 200.0 secs Computing kpt #: 217 total cpu time spent up to now is 200.6 secs Computing kpt #: 218 total cpu time spent up to now is 201.4 secs Computing kpt #: 219 total cpu time spent up to now is 202.1 secs Computing kpt #: 220 total cpu time spent up to now is 202.8 secs Computing kpt #: 221 total cpu time spent up to now is 203.6 secs Computing kpt #: 222 total cpu time spent up to now is 204.3 secs Computing kpt #: 223 total cpu time spent up to now is 205.2 secs Computing kpt #: 224 total cpu time spent up to now is 207.9 secs Computing kpt #: 225 total cpu time spent up to now is 209.1 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.8 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.5 secs Computing kpt #: 228 total cpu time spent up to now is 214.0 secs Computing kpt #: 229 total cpu time spent up to now is 215.4 secs Computing kpt #: 230 total cpu time spent up to now is 216.6 secs Computing kpt #: 231 total cpu time spent up to now is 218.0 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.7 secs Computing kpt #: 233 total cpu time spent up to now is 221.0 secs Computing kpt #: 234 total cpu time spent up to now is 222.1 secs Computing kpt #: 235 total cpu time spent up to now is 223.1 secs Computing kpt #: 236 total cpu time spent up to now is 224.1 secs Computing kpt #: 237 total cpu time spent up to now is 224.9 secs Computing kpt #: 238 total cpu time spent up to now is 225.7 secs Computing kpt #: 239 total cpu time spent up to now is 226.5 secs Computing kpt #: 240 total cpu time spent up to now is 227.3 secs Computing kpt #: 241 total cpu time spent up to now is 228.1 secs Computing kpt #: 242 total cpu time spent up to now is 228.9 secs Computing kpt #: 243 total cpu time spent up to now is 229.8 secs Computing kpt #: 244 total cpu time spent up to now is 230.6 secs Computing kpt #: 245 total cpu time spent up to now is 231.4 secs Computing kpt #: 246 total cpu time spent up to now is 232.3 secs Computing kpt #: 247 total cpu time spent up to now is 233.3 secs Computing kpt #: 248 total cpu time spent up to now is 234.2 secs Computing kpt #: 249 total cpu time spent up to now is 235.2 secs Computing kpt #: 250 total cpu time spent up to now is 236.4 secs Computing kpt #: 251 total cpu time spent up to now is 237.6 secs Computing kpt #: 252 total cpu time spent up to now is 238.8 secs Computing kpt #: 253 total cpu time spent up to now is 240.2 secs Computing kpt #: 254 total cpu time spent up to now is 241.6 secs Computing kpt #: 255 total cpu time spent up to now is 243.1 secs Computing kpt #: 256 total cpu time spent up to now is 244.7 secs Computing kpt #: 257 total cpu time spent up to now is 246.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.1 secs Computing kpt #: 259 total cpu time spent up to now is 249.1 secs Computing kpt #: 260 total cpu time spent up to now is 250.0 secs Computing kpt #: 261 total cpu time spent up to now is 250.9 secs Computing kpt #: 262 total cpu time spent up to now is 251.7 secs Computing kpt #: 263 total cpu time spent up to now is 252.6 secs Computing kpt #: 264 total cpu time spent up to now is 253.4 secs Computing kpt #: 265 total cpu time spent up to now is 254.3 secs Computing kpt #: 266 total cpu time spent up to now is 255.2 secs Computing kpt #: 267 total cpu time spent up to now is 256.0 secs Computing kpt #: 268 total cpu time spent up to now is 257.0 secs Computing kpt #: 269 total cpu time spent up to now is 257.9 secs Computing kpt #: 270 total cpu time spent up to now is 258.9 secs Computing kpt #: 271 total cpu time spent up to now is 260.1 secs Computing kpt #: 272 total cpu time spent up to now is 261.3 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.0 secs Computing kpt #: 274 total cpu time spent up to now is 264.6 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.3 secs Computing kpt #: 276 total cpu time spent up to now is 267.5 secs Computing kpt #: 277 total cpu time spent up to now is 268.5 secs Computing kpt #: 278 total cpu time spent up to now is 269.6 secs Computing kpt #: 279 total cpu time spent up to now is 270.7 secs Computing kpt #: 280 total cpu time spent up to now is 271.7 secs Computing kpt #: 281 total cpu time spent up to now is 272.7 secs Computing kpt #: 282 total cpu time spent up to now is 273.6 secs Computing kpt #: 283 total cpu time spent up to now is 274.6 secs Computing kpt #: 284 total cpu time spent up to now is 275.5 secs Computing kpt #: 285 total cpu time spent up to now is 276.3 secs Computing kpt #: 286 total cpu time spent up to now is 277.3 secs Computing kpt #: 287 total cpu time spent up to now is 278.2 secs Computing kpt #: 288 total cpu time spent up to now is 279.3 secs Computing kpt #: 289 total cpu time spent up to now is 280.3 secs Computing kpt #: 290 total cpu time spent up to now is 281.2 secs Computing kpt #: 291 total cpu time spent up to now is 282.1 secs Computing kpt #: 292 total cpu time spent up to now is 283.0 secs Computing kpt #: 293 total cpu time spent up to now is 283.8 secs Computing kpt #: 294 total cpu time spent up to now is 284.7 secs Computing kpt #: 295 total cpu time spent up to now is 285.6 secs Computing kpt #: 296 total cpu time spent up to now is 286.4 secs Computing kpt #: 297 total cpu time spent up to now is 287.3 secs Computing kpt #: 298 total cpu time spent up to now is 288.5 secs Computing kpt #: 299 total cpu time spent up to now is 289.7 secs Computing kpt #: 300 total cpu time spent up to now is 290.7 secs Computing kpt #: 301 total cpu time spent up to now is 291.9 secs Computing kpt #: 302 total cpu time spent up to now is 292.9 secs Computing kpt #: 303 total cpu time spent up to now is 293.9 secs Computing kpt #: 304 total cpu time spent up to now is 295.0 secs Computing kpt #: 305 total cpu time spent up to now is 295.9 secs Computing kpt #: 306 total cpu time spent up to now is 296.9 secs Computing kpt #: 307 total cpu time spent up to now is 297.9 secs Computing kpt #: 308 total cpu time spent up to now is 298.9 secs Computing kpt #: 309 total cpu time spent up to now is 300.0 secs Computing kpt #: 310 total cpu time spent up to now is 301.1 secs Computing kpt #: 311 total cpu time spent up to now is 302.3 secs Computing kpt #: 312 total cpu time spent up to now is 303.5 secs Computing kpt #: 313 total cpu time spent up to now is 304.8 secs Computing kpt #: 314 total cpu time spent up to now is 306.1 secs Computing kpt #: 315 total cpu time spent up to now is 307.3 secs Computing kpt #: 316 total cpu time spent up to now is 308.6 secs Computing kpt #: 317 total cpu time spent up to now is 309.4 secs Computing kpt #: 318 total cpu time spent up to now is 310.2 secs Computing kpt #: 319 total cpu time spent up to now is 311.0 secs Computing kpt #: 320 total cpu time spent up to now is 311.8 secs Computing kpt #: 321 total cpu time spent up to now is 312.7 secs Computing kpt #: 322 total cpu time spent up to now is 313.5 secs Computing kpt #: 323 total cpu time spent up to now is 316.2 secs Computing kpt #: 324 total cpu time spent up to now is 317.0 secs Computing kpt #: 325 total cpu time spent up to now is 317.9 secs Computing kpt #: 326 total cpu time spent up to now is 318.7 secs Computing kpt #: 327 total cpu time spent up to now is 319.6 secs Computing kpt #: 328 total cpu time spent up to now is 320.5 secs Computing kpt #: 329 total cpu time spent up to now is 321.3 secs Computing kpt #: 330 total cpu time spent up to now is 322.3 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.0 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 325.8 secs Computing kpt #: 333 total cpu time spent up to now is 327.2 secs ethr = 2.50E-08, avg # of iterations = 44.1 total cpu time spent up to now is 327.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8335 -11.8335 -11.4568 -11.4568 -11.4548 -11.4548 -0.8849 -0.8849 1.7829 1.7829 3.8418 3.8418 4.2696 4.2696 4.3254 4.3254 4.7837 4.7837 5.6707 5.6707 6.2585 6.2585 6.4453 6.4453 6.5166 6.5166 6.9815 6.9815 7.3948 7.3948 7.7173 7.7173 8.9579 8.9579 9.4835 9.4835 11.4645 11.4645 11.6381 11.6381 11.7909 11.7909 11.9569 11.9569 13.0144 13.0144 k = 0.0000 0.0000 0.0188 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8336 -11.8336 -11.4568 -11.4568 -11.4548 -11.4548 -0.8837 -0.8837 1.7833 1.7833 3.8426 3.8426 4.2686 4.2686 4.3271 4.3271 4.7836 4.7836 5.6692 5.6692 6.2524 6.2524 6.4520 6.4520 6.5160 6.5160 6.9819 6.9819 7.3939 7.3939 7.7133 7.7133 8.9560 8.9560 9.4778 9.4778 11.4372 11.4372 11.6502 11.6502 11.8003 11.8003 11.9682 11.9682 13.0231 13.0231 k = 0.0000 0.0000 0.0375 ( 3559 PWs) bands (ev): -30.5739 -30.5739 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8800 -0.8800 1.7846 1.7846 3.8450 3.8450 4.2660 4.2660 4.3319 4.3319 4.7833 4.7833 5.6648 5.6648 6.2366 6.2366 6.4693 6.4693 6.5144 6.5144 6.9830 6.9830 7.3913 7.3913 7.7014 7.7014 8.9505 8.9505 9.4613 9.4613 11.3740 11.3740 11.6690 11.6690 11.8221 11.8221 12.0077 12.0077 13.0483 13.0483 k = 0.0000 0.0000 0.0563 ( 3565 PWs) bands (ev): -30.5739 -30.5739 -11.8337 -11.8337 -11.4570 -11.4570 -11.4549 -11.4549 -0.8737 -0.8737 1.7868 1.7868 3.8489 3.8489 4.2624 4.2624 4.3392 4.3392 4.7828 4.7828 5.6573 5.6573 6.2157 6.2157 6.4917 6.4917 6.5124 6.5124 6.9852 6.9852 7.3867 7.3867 7.6820 7.6820 8.9414 8.9414 9.4354 9.4354 11.2962 11.2962 11.6682 11.6682 11.8610 11.8610 12.0765 12.0765 13.0868 13.0868 k = 0.0000 0.0000 0.0751 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8337 -11.8337 -11.4571 -11.4571 -11.4550 -11.4550 -0.8650 -0.8650 1.7899 1.7899 3.8542 3.8542 4.2584 4.2584 4.3483 4.3483 4.7821 4.7821 5.6471 5.6471 6.1929 6.1929 6.5037 6.5037 6.5215 6.5215 6.9890 6.9890 7.3796 7.3796 7.6558 7.6558 8.9290 8.9290 9.4025 9.4025 11.2124 11.2124 11.6382 11.6382 11.9279 11.9279 12.1654 12.1654 13.1347 13.1347 k = 0.0000 0.0000 0.0939 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8339 -11.8339 -11.4572 -11.4572 -11.4551 -11.4551 -0.8539 -0.8539 1.7937 1.7937 3.8607 3.8607 4.2546 4.2546 4.3588 4.3588 4.7814 4.7814 5.6341 5.6341 6.1701 6.1701 6.4998 6.4998 6.5440 6.5440 6.9952 6.9952 7.3691 7.3691 7.6240 7.6240 8.9138 8.9138 9.3648 9.3648 11.1263 11.1263 11.5881 11.5881 12.0181 12.0181 12.2666 12.2666 13.1880 13.1880 k = 0.0000 0.0000 0.1126 ( 3573 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4575 -11.4575 -11.4553 -11.4553 -0.8403 -0.8403 1.7984 1.7984 3.8682 3.8682 4.2512 4.2512 4.3706 4.3706 4.7808 4.7808 5.6186 5.6186 6.1485 6.1485 6.4935 6.4935 6.5643 6.5643 7.0046 7.0046 7.3539 7.3539 7.5887 7.5887 8.8963 8.8963 9.3243 9.3243 11.0394 11.0394 11.5267 11.5267 12.1246 12.1246 12.3765 12.3765 13.2433 13.2433 k = 0.0000 0.0000 0.1314 ( 3565 PWs) bands (ev): -30.5739 -30.5739 -11.8342 -11.8342 -11.4577 -11.4577 -11.4554 -11.4554 -0.8244 -0.8244 1.8040 1.8040 3.8764 3.8764 4.2486 4.2486 4.3833 4.3833 4.7803 4.7803 5.6010 5.6010 6.1283 6.1283 6.4859 6.4859 6.5793 6.5793 7.0179 7.0179 7.3319 7.3319 7.5527 7.5527 8.8770 8.8770 9.2826 9.2826 10.9528 10.9528 11.4591 11.4591 12.2422 12.2422 12.4941 12.4941 13.2977 13.2977 k = 0.0000 0.0000 0.1502 ( 3567 PWs) bands (ev): -30.5739 -30.5739 -11.8344 -11.8344 -11.4580 -11.4580 -11.4555 -11.4555 -0.8061 -0.8061 1.8103 1.8103 3.8849 3.8849 4.2470 4.2470 4.3971 4.3971 4.7801 4.7801 5.5815 5.5815 6.1097 6.1097 6.4773 6.4773 6.5875 6.5875 7.0355 7.0355 7.3013 7.3013 7.5192 7.5192 8.8565 8.8565 9.2410 9.2410 10.8666 10.8666 11.3881 11.3881 12.3668 12.3668 12.6191 12.6191 13.3494 13.3494 k = 0.0000 0.0000 0.1689 ( 3563 PWs) bands (ev): -30.5738 -30.5738 -11.8346 -11.8346 -11.4583 -11.4583 -11.4556 -11.4556 -0.7855 -0.7855 1.8174 1.8174 3.8933 3.8933 4.2467 4.2467 4.4117 4.4117 4.7803 4.7803 5.5606 5.5606 6.0925 6.0925 6.4676 6.4676 6.5880 6.5880 7.0569 7.0569 7.2611 7.2611 7.4909 7.4909 8.8355 8.8355 9.2001 9.2001 10.7813 10.7813 11.3157 11.3157 12.4949 12.4949 12.7519 12.7519 13.3975 13.3975 k = 0.0000 0.0000 0.1877 ( 3567 PWs) bands (ev): -30.5738 -30.5738 -11.8348 -11.8348 -11.4587 -11.4587 -11.4558 -11.4558 -0.7627 -0.7627 1.8252 1.8252 3.9012 3.9012 4.2480 4.2480 4.4270 4.4270 4.7810 4.7810 5.5388 5.5388 6.0762 6.0762 6.4571 6.4571 6.5804 6.5804 7.0802 7.0802 7.2140 7.2140 7.4684 7.4684 8.8145 8.8145 9.1603 9.1603 10.6969 10.6969 11.2430 11.2430 12.6237 12.6237 12.8928 12.8928 13.4414 13.4414 k = 0.0000 0.0000 0.2065 ( 3563 PWs) bands (ev): -30.5738 -30.5738 -11.8351 -11.8351 -11.4591 -11.4591 -11.4559 -11.4559 -0.7377 -0.7377 1.8336 1.8336 3.9078 3.9078 4.2514 4.2514 4.4431 4.4431 4.7825 4.7825 5.5166 5.5166 6.0602 6.0602 6.4458 6.4458 6.5648 6.5648 7.0968 7.0968 7.1703 7.1703 7.4506 7.4506 8.7939 8.7939 9.1218 9.1218 10.6135 10.6135 11.1710 11.1710 12.7516 12.7516 13.0414 13.0414 13.4813 13.4813 k = 0.0000 0.0000 0.2253 ( 3563 PWs) bands (ev): -30.5737 -30.5737 -11.8353 -11.8353 -11.4595 -11.4595 -11.4560 -11.4560 -0.7107 -0.7107 1.8428 1.8428 3.9128 3.9128 4.2573 4.2573 4.4597 4.4597 4.7847 4.7847 5.4944 5.4944 6.0438 6.0438 6.4337 6.4337 6.5415 6.5415 7.0743 7.0743 7.1646 7.1646 7.4365 7.4365 8.7739 8.7739 9.0849 9.0849 10.5310 10.5310 11.1003 11.1003 12.8775 12.8775 13.1966 13.1966 13.5175 13.5175 k = 0.0000 0.0000 0.2440 ( 3561 PWs) bands (ev): -30.5737 -30.5737 -11.8356 -11.8356 -11.4600 -11.4600 -11.4562 -11.4562 -0.6816 -0.6816 1.8525 1.8525 3.9157 3.9157 4.2658 4.2658 4.4767 4.4767 4.7879 4.7879 5.4729 5.4729 6.0259 6.0259 6.4209 6.4209 6.5112 6.5112 7.0237 7.0237 7.1875 7.1875 7.4252 7.4252 8.7549 8.7549 9.0495 9.0495 10.4496 10.4496 11.0311 11.0311 13.0013 13.0013 13.3569 13.3569 13.5505 13.5505 k = 0.0000 0.0000 0.2628 ( 3557 PWs) bands (ev): -30.5736 -30.5736 -11.8359 -11.8359 -11.4605 -11.4605 -11.4563 -11.4563 -0.6506 -0.6506 1.8627 1.8627 3.9160 3.9160 4.2771 4.2771 4.4940 4.4940 4.7922 4.7922 5.4523 5.4523 6.0053 6.0053 6.4076 6.4076 6.4752 6.4752 6.9707 6.9707 7.2134 7.2134 7.4169 7.4169 8.7369 8.7369 9.0159 9.0159 10.3692 10.3692 10.9639 10.9639 13.1231 13.1231 13.5202 13.5202 13.5808 13.5808 k = 0.0000 0.0000 0.2816 ( 3557 PWs) bands (ev): -30.5736 -30.5736 -11.8362 -11.8362 -11.4611 -11.4611 -11.4565 -11.4565 -0.6178 -0.6178 1.8735 1.8735 3.9137 3.9137 4.2913 4.2913 4.5112 4.5112 4.7978 4.7978 5.4331 5.4331 5.9803 5.9803 6.3938 6.3938 6.4355 6.4355 6.9209 6.9209 7.2360 7.2360 7.4123 7.4123 8.7200 8.7200 8.9845 8.9845 10.2898 10.2898 10.8986 10.8986 13.2429 13.2429 13.6087 13.6087 13.6845 13.6845 k = 0.0000 0.0000 0.3004 ( 3557 PWs) bands (ev): -30.5735 -30.5735 -11.8365 -11.8365 -11.4616 -11.4616 -11.4566 -11.4566 -0.5833 -0.5833 1.8847 1.8847 3.9088 3.9088 4.3082 4.3082 4.5282 4.5282 4.8046 4.8046 5.4157 5.4157 5.9493 5.9493 6.3789 6.3789 6.3954 6.3954 6.8758 6.8758 7.2519 7.2519 7.4127 7.4127 8.7043 8.7043 8.9555 8.9555 10.2113 10.2113 10.8354 10.8354 13.3607 13.3607 13.6346 13.6346 13.8472 13.8472 k = 0.0000 0.0000 0.3191 ( 3561 PWs) bands (ev): -30.5735 -30.5735 -11.8369 -11.8369 -11.4622 -11.4622 -11.4568 -11.4568 -0.5471 -0.5471 1.8964 1.8964 3.9014 3.9014 4.3275 4.3275 4.5446 4.5446 4.8130 4.8130 5.4003 5.4003 5.9106 5.9106 6.3532 6.3532 6.3679 6.3679 6.8355 6.8355 7.2591 7.2591 7.4188 7.4188 8.6895 8.6895 8.9294 8.9294 10.1338 10.1338 10.7741 10.7741 13.4761 13.4761 13.6588 13.6588 14.0033 14.0033 k = 0.0000 0.0000 0.3379 ( 3569 PWs) bands (ev): -30.5735 -30.5735 -11.8373 -11.8373 -11.4629 -11.4629 -11.4569 -11.4569 -0.5094 -0.5094 1.9083 1.9083 3.8917 3.8917 4.3488 4.3488 4.5600 4.5600 4.8230 4.8230 5.3873 5.3873 5.8635 5.8635 6.3195 6.3195 6.3527 6.3527 6.7998 6.7998 7.2577 7.2577 7.4292 7.4292 8.6757 8.6757 8.9068 8.9068 10.0571 10.0571 10.7146 10.7146 13.5883 13.5883 13.6816 13.6816 14.0858 14.0858 k = 0.0000 0.0000 0.3567 ( 3571 PWs) bands (ev): -30.5734 -30.5734 -11.8376 -11.8376 -11.4635 -11.4635 -11.4571 -11.4571 -0.4704 -0.4704 1.9206 1.9206 3.8801 3.8801 4.3716 4.3716 4.5739 4.5739 4.8347 4.8347 5.3768 5.3768 5.8084 5.8084 6.2908 6.2908 6.3384 6.3384 6.7680 6.7680 7.2496 7.2496 7.4413 7.4413 8.6628 8.6628 8.8882 8.8882 9.9813 9.9813 10.6567 10.6567 13.6881 13.6881 13.7120 13.7120 14.0829 14.0829 k = 0.0000 0.0000 0.3754 ( 3567 PWs) bands (ev): -30.5733 -30.5733 -11.8380 -11.8380 -11.4641 -11.4641 -11.4573 -11.4573 -0.4301 -0.4301 1.9330 1.9330 3.8670 3.8670 4.3956 4.3956 4.5858 4.5858 4.8480 4.8480 5.3688 5.3688 5.7469 5.7469 6.2680 6.2680 6.3247 6.3247 6.7397 6.7397 7.2367 7.2367 7.4522 7.4522 8.6506 8.6506 8.8745 8.8745 9.9063 9.9063 10.6001 10.6001 13.7168 13.7168 13.8069 13.8069 14.0790 14.0790 k = 0.0000 0.0000 0.3942 ( 3565 PWs) bands (ev): -30.5733 -30.5733 -11.8384 -11.8384 -11.4648 -11.4648 -11.4574 -11.4574 -0.3888 -0.3888 1.9456 1.9456 3.8526 3.8526 4.4204 4.4204 4.5954 4.5954 4.8627 4.8627 5.3631 5.3631 5.6819 5.6819 6.2501 6.2501 6.3117 6.3117 6.7144 6.7144 7.2204 7.2204 7.4600 7.4600 8.6389 8.6389 8.8660 8.8660 9.8321 9.8321 10.5443 10.5443 13.7329 13.7329 13.9046 13.9046 14.0804 14.0804 k = 0.0000 0.0000 0.4130 ( 3569 PWs) bands (ev): -30.5732 -30.5732 -11.8388 -11.8388 -11.4655 -11.4655 -11.4576 -11.4576 -0.3464 -0.3464 1.9583 1.9583 3.8372 3.8372 4.4456 4.4456 4.6023 4.6023 4.8783 4.8783 5.3591 5.3591 5.6168 5.6168 6.2362 6.2362 6.2998 6.2998 6.6917 6.6917 7.2016 7.2016 7.4633 7.4633 8.6276 8.6276 8.8632 8.8632 9.7588 9.7588 10.4891 10.4891 13.7447 13.7447 13.9858 13.9858 14.0959 14.0959 k = 0.0000 0.0000 0.4318 ( 3573 PWs) bands (ev): -30.5732 -30.5732 -11.8392 -11.8392 -11.4661 -11.4661 -11.4577 -11.4577 -0.3033 -0.3033 1.9710 1.9710 3.8212 3.8212 4.4707 4.4707 4.6060 4.6060 4.8940 4.8940 5.3553 5.3553 5.5557 5.5557 6.2250 6.2250 6.2892 6.2892 6.6713 6.6713 7.1810 7.1810 7.4614 7.4614 8.6166 8.6166 8.8664 8.8664 9.6863 9.6863 10.4338 10.4338 13.7508 13.7508 14.0276 14.0276 14.1470 14.1470 k = 0.0000 0.0000 0.4505 ( 3573 PWs) bands (ev): -30.5731 -30.5731 -11.8395 -11.8395 -11.4668 -11.4668 -11.4579 -11.4579 -0.2596 -0.2596 1.9837 1.9837 3.8048 3.8048 4.4954 4.4954 4.6065 4.6065 4.9087 4.9087 5.3482 5.3482 5.5050 5.5050 6.2156 6.2156 6.2805 6.2805 6.6532 6.6532 7.1588 7.1588 7.4540 7.4540 8.6059 8.6059 8.8756 8.8756 9.6147 9.6147 10.3781 10.3781 13.7480 13.7480 14.0392 14.0392 14.2182 14.2182 k = 0.0000 0.0000 0.4693 ( 3557 PWs) bands (ev): -30.5731 -30.5731 -11.8399 -11.8399 -11.4674 -11.4674 -11.4580 -11.4580 -0.2154 -0.2154 1.9963 1.9963 3.7883 3.7883 4.5187 4.5187 4.6038 4.6038 4.9209 4.9209 5.3324 5.3324 5.4726 5.4726 6.2072 6.2072 6.2740 6.2740 6.6372 6.6372 7.1354 7.1354 7.4409 7.4409 8.5955 8.5955 8.8905 8.8905 9.5441 9.5441 10.3212 10.3212 13.7319 13.7319 14.0415 14.0415 14.1880 14.1880 k = 0.0000 0.0000 0.4881 ( 3557 PWs) bands (ev): -30.5730 -30.5730 -11.8403 -11.8403 -11.4681 -11.4681 -11.4581 -11.4581 -0.1709 -0.1709 2.0087 2.0087 3.7719 3.7719 4.5383 4.5383 4.5996 4.5996 4.9292 4.9292 5.3075 5.3075 5.4615 5.4615 6.1996 6.1996 6.2700 6.2700 6.6232 6.6232 7.1110 7.1110 7.4227 7.4227 8.5854 8.5854 8.9105 8.9105 9.4747 9.4747 10.2627 10.2627 13.6980 13.6980 14.0396 14.0396 14.1231 14.1231 k = 0.0000 0.0000 0.5068 ( 3567 PWs) bands (ev): -30.5730 -30.5730 -11.8407 -11.8407 -11.4688 -11.4688 -11.4583 -11.4583 -0.1263 -0.1263 2.0209 2.0209 3.7558 3.7558 4.5462 4.5462 4.6010 4.6010 4.9324 4.9324 5.2816 5.2816 5.4657 5.4657 6.1927 6.1927 6.2684 6.2684 6.6112 6.6112 7.0859 7.0859 7.3996 7.3996 8.5756 8.5756 8.9347 8.9347 9.4069 9.4069 10.2020 10.2020 13.6465 13.6465 14.0344 14.0344 14.0825 14.0825 k = 0.0000 0.0000 0.5256 ( 3561 PWs) bands (ev): -30.5729 -30.5729 -11.8410 -11.8410 -11.4694 -11.4694 -11.4584 -11.4584 -0.0818 -0.0818 2.0328 2.0328 3.7402 3.7402 4.5347 4.5347 4.6148 4.6148 4.9304 4.9304 5.2618 5.2618 5.4786 5.4786 6.1869 6.1869 6.2693 6.2693 6.6012 6.6012 7.0601 7.0601 7.3723 7.3723 8.5662 8.5662 8.9619 8.9619 9.3413 9.3413 10.1386 10.1386 13.5840 13.5840 14.0252 14.0252 14.0617 14.0617 k = 0.0000 0.0000 0.5444 ( 3561 PWs) bands (ev): -30.5728 -30.5728 -11.8414 -11.8414 -11.4700 -11.4700 -11.4586 -11.4586 -0.0376 -0.0376 2.0444 2.0444 3.7253 3.7253 4.5092 4.5092 4.6354 4.6354 4.9249 4.9249 5.2505 5.2505 5.4961 5.4961 6.1826 6.1826 6.2724 6.2724 6.5931 6.5931 7.0338 7.0338 7.3416 7.3416 8.5572 8.5572 8.9898 8.9898 9.2796 9.2796 10.0720 10.0720 13.5186 13.5186 14.0085 14.0085 14.0557 14.0557 k = 0.0000 0.0000 0.5632 ( 3561 PWs) bands (ev): -30.5728 -30.5728 -11.8418 -11.8418 -11.4706 -11.4706 -11.4587 -11.4587 0.0061 0.0061 2.0556 2.0556 3.7113 3.7113 4.4745 4.4745 4.6579 4.6579 4.9184 4.9184 5.2463 5.2463 5.5162 5.5162 6.1803 6.1803 6.2778 6.2778 6.5870 6.5870 7.0073 7.0073 7.3083 7.3083 8.5485 8.5485 9.0131 9.0131 9.2265 9.2265 10.0020 10.0020 13.4562 13.4562 13.9830 13.9830 14.0591 14.0591 k = 0.0000 0.0000 0.5819 ( 3561 PWs) bands (ev): -30.5727 -30.5727 -11.8421 -11.8421 -11.4712 -11.4712 -11.4588 -11.4588 0.0492 0.0492 2.0664 2.0664 3.6982 3.6982 4.4331 4.4331 4.6811 4.6811 4.9132 4.9132 5.2472 5.2472 5.5371 5.5371 6.1805 6.1805 6.2854 6.2854 6.5829 6.5829 6.9806 6.9806 7.2732 7.2732 8.5402 8.5402 9.0199 9.0199 9.1935 9.1935 9.9282 9.9282 13.4007 13.4007 13.9492 13.9492 14.0674 14.0674 k = 0.0000 0.0000 0.6007 ( 3559 PWs) bands (ev): -30.5727 -30.5727 -11.8424 -11.8424 -11.4718 -11.4718 -11.4590 -11.4590 0.0914 0.0914 2.0768 2.0768 3.6863 3.6863 4.3867 4.3867 4.7043 4.7043 4.9107 4.9107 5.2507 5.2507 5.5574 5.5574 6.1832 6.1832 6.2955 6.2955 6.5807 6.5807 6.9539 6.9539 7.2371 7.2371 8.5324 8.5324 8.9962 8.9962 9.1938 9.1938 9.8506 9.8506 13.3543 13.3543 13.9069 13.9069 14.0783 14.0783 k = 0.0000 0.0000 0.6195 ( 3563 PWs) bands (ev): -30.5726 -30.5726 -11.8428 -11.8428 -11.4724 -11.4724 -11.4591 -11.4591 0.1326 0.1326 2.0867 2.0867 3.6754 3.6754 4.3370 4.3370 4.7274 4.7274 4.9117 4.9117 5.2553 5.2553 5.5759 5.5759 6.1885 6.1885 6.3083 6.3083 6.5804 6.5804 6.9274 6.9274 7.2010 7.2010 8.5248 8.5248 8.9495 8.9495 9.2193 9.2193 9.7694 9.7694 13.3180 13.3180 13.8567 13.8567 14.0905 14.0905 k = 0.0000 0.0000 0.6383 ( 3571 PWs) bands (ev): -30.5726 -30.5726 -11.8431 -11.8431 -11.4729 -11.4729 -11.4593 -11.4593 0.1725 0.1725 2.0960 2.0960 3.6658 3.6658 4.2856 4.2856 4.7502 4.7502 4.9162 4.9162 5.2599 5.2599 5.5916 5.5916 6.1959 6.1959 6.3244 6.3244 6.5820 6.5820 6.9015 6.9015 7.1657 7.1657 8.5177 8.5177 8.8935 8.8935 9.2559 9.2559 9.6850 9.6850 13.2925 13.2925 13.7996 13.7996 14.1035 14.1035 k = 0.0000 0.0000 0.6570 ( 3563 PWs) bands (ev): -30.5725 -30.5725 -11.8434 -11.8434 -11.4734 -11.4734 -11.4594 -11.4594 0.2111 0.2111 2.1049 2.1049 3.6574 3.6574 4.2338 4.2338 4.7726 4.7726 4.9242 4.9242 5.2636 5.2636 5.6036 5.6036 6.2045 6.2045 6.3442 6.3442 6.5850 6.5850 6.8766 6.8766 7.1321 7.1321 8.5109 8.5109 8.8344 8.8344 9.2964 9.2964 9.5982 9.5982 13.2779 13.2779 13.7370 13.7370 14.1166 14.1166 k = 0.0000 0.0000 0.6758 ( 3567 PWs) bands (ev): -30.5725 -30.5725 -11.8437 -11.8437 -11.4739 -11.4739 -11.4595 -11.4595 0.2481 0.2481 2.1131 2.1131 3.6503 3.6503 4.1825 4.1825 4.7947 4.7947 4.9355 4.9355 5.2661 5.2661 5.6116 5.6116 6.2133 6.2133 6.3682 6.3682 6.5889 6.5889 6.8536 6.8536 7.1012 7.1012 8.5045 8.5045 8.7744 8.7744 9.3356 9.3356 9.5121 9.5121 13.2742 13.2742 13.6703 13.6703 14.1297 14.1297 k = 0.0000 0.0000 0.6946 ( 3567 PWs) bands (ev): -30.5725 -30.5725 -11.8440 -11.8440 -11.4744 -11.4744 -11.4596 -11.4596 0.2833 0.2833 2.1208 2.1208 3.6444 3.6444 4.1325 4.1325 4.8162 4.8162 4.9499 4.9499 5.2670 5.2670 5.6154 5.6154 6.2213 6.2213 6.3960 6.3960 6.5926 6.5926 6.8338 6.8338 7.0739 7.0739 8.4984 8.4984 8.7145 8.7145 9.3532 9.3532 9.4462 9.4462 13.2810 13.2810 13.6011 13.6011 14.1423 14.1423 k = 0.0000 0.0000 0.7133 ( 3563 PWs) bands (ev): -30.5724 -30.5724 -11.8442 -11.8442 -11.4748 -11.4748 -11.4596 -11.4596 0.3167 0.3167 2.1280 2.1280 3.6397 3.6397 4.0845 4.0845 4.8371 4.8371 4.9673 4.9673 5.2662 5.2662 5.6153 5.6153 6.2279 6.2279 6.4270 6.4270 6.5945 6.5945 6.8191 6.8191 7.0513 7.0513 8.4925 8.4925 8.6555 8.6555 9.2942 9.2942 9.4553 9.4553 13.2980 13.2980 13.5308 13.5308 14.1545 14.1545 k = 0.0000 0.0000 0.7321 ( 3571 PWs) bands (ev): -30.5724 -30.5724 -11.8445 -11.8445 -11.4752 -11.4752 -11.4597 -11.4597 0.3480 0.3480 2.1345 2.1345 3.6362 3.6362 4.0389 4.0389 4.8576 4.8576 4.9874 4.9874 5.2636 5.2636 5.6113 5.6113 6.2327 6.2327 6.4593 6.4593 6.5927 6.5927 6.8113 6.8113 7.0346 7.0346 8.4868 8.4868 8.5978 8.5978 9.2042 9.2042 9.4938 9.4938 13.3244 13.3244 13.4609 13.4609 14.1658 14.1658 k = 0.0000 0.0000 0.7509 ( 3576 PWs) bands (ev): -30.5724 -30.5724 -11.8447 -11.8447 -11.4756 -11.4756 -11.4598 -11.4598 0.3773 0.3773 2.1405 2.1405 3.6336 3.6336 3.9961 3.9961 4.8777 4.8777 5.0099 5.0099 5.2593 5.2593 5.6039 5.6039 6.2358 6.2358 6.4901 6.4901 6.5875 6.5875 6.8108 6.8108 7.0257 7.0257 8.4804 8.4804 8.5423 8.5423 9.1095 9.1095 9.5358 9.5358 13.3573 13.3573 13.3949 13.3949 14.1763 14.1763 k = 0.0000 0.0000 0.7697 ( 3572 PWs) bands (ev): -30.5723 -30.5723 -11.8449 -11.8449 -11.4760 -11.4760 -11.4599 -11.4599 0.4042 0.4042 2.1459 2.1459 3.6320 3.6320 3.9562 3.9562 4.8975 4.8975 5.0344 5.0344 5.2533 5.2533 5.5933 5.5933 6.2374 6.2374 6.5129 6.5129 6.5844 6.5844 6.8155 6.8155 7.0267 7.0267 8.4669 8.4669 8.4957 8.4957 9.0144 9.0144 9.5775 9.5775 13.3226 13.3226 13.4075 13.4075 14.1858 14.1858 k = 0.0000 0.0000 0.7884 ( 3572 PWs) bands (ev): -30.5723 -30.5723 -11.8451 -11.8451 -11.4763 -11.4763 -11.4600 -11.4600 0.4289 0.4289 2.1508 2.1508 3.6311 3.6311 3.9197 3.9197 4.9172 4.9172 5.0605 5.0605 5.2459 5.2459 5.5799 5.5799 6.2378 6.2378 6.5165 6.5165 6.5953 6.5953 6.8215 6.8215 7.0398 7.0398 8.4248 8.4248 8.4796 8.4796 8.9207 8.9207 9.6175 9.6175 13.2601 13.2601 13.4589 13.4589 14.1941 14.1941 k = 0.0000 0.0000 0.8072 ( 3576 PWs) bands (ev): -30.5723 -30.5723 -11.8453 -11.8453 -11.4766 -11.4766 -11.4600 -11.4600 0.4511 0.4511 2.1551 2.1551 3.6309 3.6309 3.8866 3.8866 4.9368 4.9368 5.0874 5.0874 5.2376 5.2376 5.5637 5.5637 6.2373 6.2373 6.5036 6.5036 6.6187 6.6187 6.8254 6.8254 7.0660 7.0660 8.3740 8.3740 8.4741 8.4741 8.8298 8.8298 9.6553 9.6553 13.2012 13.2012 13.5182 13.5182 14.2010 14.2010 k = 0.0000 0.0000 0.8260 ( 3576 PWs) bands (ev): -30.5722 -30.5722 -11.8455 -11.8455 -11.4769 -11.4769 -11.4601 -11.4601 0.4708 0.4708 2.1589 2.1589 3.6312 3.6312 3.8571 3.8571 4.9564 4.9564 5.1141 5.1141 5.2293 5.2293 5.5451 5.5451 6.2361 6.2361 6.4848 6.4848 6.6454 6.6454 6.8262 6.8262 7.1036 7.1036 8.3234 8.3234 8.4702 8.4702 8.7436 8.7436 9.6902 9.6902 13.1470 13.1470 13.5839 13.5839 14.2062 14.2062 k = 0.0000 0.0000 0.8447 ( 3576 PWs) bands (ev): -30.5722 -30.5722 -11.8456 -11.8456 -11.4771 -11.4771 -11.4601 -11.4601 0.4880 0.4880 2.1621 2.1621 3.6319 3.6319 3.8314 3.8314 4.9761 4.9761 5.1378 5.1378 5.2236 5.2236 5.5242 5.5242 6.2346 6.2346 6.4650 6.4650 6.6715 6.6715 6.8243 6.8243 7.1494 7.1494 8.2737 8.2737 8.4671 8.4671 8.6637 8.6637 9.7216 9.7216 13.0983 13.0983 13.6550 13.6550 14.2093 14.2093 k = 0.0000 0.0000 0.8635 ( 3580 PWs) bands (ev): -30.5722 -30.5722 -11.8457 -11.8457 -11.4773 -11.4773 -11.4602 -11.4602 0.5026 0.5026 2.1649 2.1649 3.6327 3.6327 3.8094 3.8094 4.9958 4.9958 5.1523 5.1523 5.2266 5.2266 5.5011 5.5011 6.2330 6.2330 6.4463 6.4463 6.6958 6.6958 6.8205 6.8205 7.1997 7.1997 8.2252 8.2252 8.4646 8.4646 8.5924 8.5924 9.7492 9.7492 13.0560 13.0560 13.7303 13.7303 14.2096 14.2096 k = 0.0000 0.0000 0.8823 ( 3592 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4775 -11.4775 -11.4603 -11.4603 0.5146 0.5146 2.1670 2.1670 3.6336 3.6336 3.7913 3.7913 5.0156 5.0156 5.1524 5.1524 5.2434 5.2434 5.4760 5.4760 6.2315 6.2315 6.4298 6.4298 6.7178 6.7178 6.8155 6.8155 7.2510 7.2510 8.1786 8.1786 8.4625 8.4625 8.5317 8.5317 9.7725 9.7725 13.0204 13.0204 13.8083 13.8083 14.2060 14.2060 k = 0.0000 0.0000 0.9011 ( 3596 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5240 0.5240 2.1688 2.1688 3.6345 3.6345 3.7772 3.7772 5.0353 5.0353 5.1425 5.1425 5.2693 5.2693 5.4492 5.4492 6.2302 6.2302 6.4163 6.4163 6.7373 6.7373 6.8095 6.8095 7.2991 7.2991 8.1355 8.1355 8.4606 8.4606 8.4837 8.4837 9.7910 9.7910 12.9922 12.9922 13.8867 13.8867 14.1969 14.1969 k = 0.0000 0.0000 0.9198 ( 3604 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5307 0.5307 2.1700 2.1700 3.6352 3.6352 3.7671 3.7671 5.0548 5.0548 5.1281 5.1281 5.2989 5.2989 5.4208 5.4208 6.2293 6.2293 6.4063 6.4063 6.7539 6.7539 6.8026 6.8026 7.3394 7.3394 8.0992 8.0992 8.4472 8.4472 8.4609 8.4609 9.8045 9.8045 12.9718 12.9718 13.9622 13.9622 14.1797 14.1797 k = 0.0000 0.0000 0.9386 ( 3612 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4604 -11.4604 0.5347 0.5347 2.1707 2.1707 3.6356 3.6356 3.7610 3.7610 5.0739 5.0739 5.1117 5.1117 5.3297 5.3297 5.3912 5.3912 6.2287 6.2287 6.4002 6.4002 6.7674 6.7674 6.7951 6.7951 7.3668 7.3668 8.0743 8.0743 8.4268 8.4268 8.4597 8.4597 9.8126 9.8126 12.9594 12.9594 14.0291 14.0291 14.1526 14.1526 k = 0.0000 0.0000 0.9574 ( 3608 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4604 -11.4604 0.5360 0.5360 2.1709 2.1709 3.6358 3.6358 3.7589 3.7589 5.0889 5.0889 5.0975 5.0975 5.3599 5.3599 5.3615 5.3615 6.2285 6.2285 6.3981 6.3981 6.7742 6.7742 6.7903 6.7903 7.3765 7.3765 8.0654 8.0654 8.4199 8.4199 8.4594 8.4594 9.8154 9.8154 12.9552 12.9552 14.0664 14.0664 14.1295 14.1295 k = 0.0000 0.0000 0.9574 ( 3608 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4604 -11.4604 0.5360 0.5360 2.1709 2.1709 3.6358 3.6358 3.7589 3.7589 5.0889 5.0889 5.0975 5.0975 5.3599 5.3599 5.3615 5.3615 6.2285 6.2285 6.3981 6.3981 6.7742 6.7742 6.7903 6.7903 7.3765 7.3765 8.0654 8.0654 8.4199 8.4199 8.4594 8.4594 9.8154 9.8154 12.9552 12.9552 14.0664 14.0664 14.1295 14.1295 k =-0.0094 0.0153 0.9574 ( 3608 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4604 -11.4604 0.5360 0.5360 2.1682 2.1682 3.6375 3.6375 3.7602 3.7602 5.0802 5.0802 5.1051 5.1051 5.3425 5.3425 5.3792 5.3792 6.2291 6.2291 6.3966 6.3966 6.7713 6.7713 6.7913 6.7913 7.3712 7.3712 8.0694 8.0694 8.4180 8.4180 8.4681 8.4681 9.8188 9.8188 12.9556 12.9556 14.0661 14.0661 14.1341 14.1341 k =-0.0188 0.0306 0.9574 ( 3608 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4604 -11.4604 0.5358 0.5358 2.1598 2.1598 3.6425 3.6425 3.7640 3.7640 5.0673 5.0673 5.1147 5.1147 5.3249 5.3249 5.3978 5.3978 6.2309 6.2309 6.3920 6.3920 6.7639 6.7639 6.7931 6.7931 7.3559 7.3559 8.0806 8.0806 8.4177 8.4177 8.4895 8.4895 9.8290 9.8290 12.9566 12.9566 14.0651 14.0651 14.1476 14.1476 k =-0.0281 0.0459 0.9574 ( 3592 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5355 0.5355 2.1462 2.1462 3.6509 3.6509 3.7701 3.7701 5.0532 5.0532 5.1230 5.1230 5.3083 5.3083 5.4161 5.4161 6.2337 6.2337 6.3846 6.3846 6.7533 6.7533 6.7944 6.7944 7.3321 7.3321 8.0966 8.0966 8.4242 8.4242 8.5188 8.5188 9.8459 9.8459 12.9583 12.9583 14.0635 14.0635 14.1701 14.1701 k =-0.0375 0.0612 0.9574 ( 3588 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4775 -11.4775 -11.4603 -11.4603 0.5351 0.5351 2.1273 2.1273 3.6626 3.6626 3.7786 3.7786 5.0381 5.0381 5.1296 5.1296 5.2931 5.2931 5.4340 5.4340 6.2375 6.2375 6.3746 6.3746 6.7401 6.7401 6.7949 6.7949 7.3016 7.3016 8.1146 8.1146 8.4402 8.4402 8.5545 8.5545 9.8694 9.8694 12.9607 12.9607 14.0614 14.0614 14.2014 14.2014 k =-0.0469 0.0766 0.9574 ( 3588 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4773 -11.4773 -11.4603 -11.4603 0.5346 0.5346 2.1034 2.1034 3.6776 3.6776 3.7892 3.7892 5.0222 5.0222 5.1340 5.1340 5.2799 5.2799 5.4513 5.4513 6.2421 6.2421 6.3624 6.3624 6.7244 6.7244 6.7947 6.7947 7.2665 7.2665 8.1319 8.1319 8.4669 8.4669 8.5959 8.5959 9.8992 9.8992 12.9638 12.9638 14.0587 14.0587 14.2413 14.2413 k =-0.0563 0.0919 0.9574 ( 3588 PWs) bands (ev): -30.5722 -30.5722 -11.8457 -11.8457 -11.4771 -11.4771 -11.4603 -11.4603 0.5339 0.5339 2.0749 2.0749 3.6957 3.6957 3.8017 3.8017 5.0054 5.0054 5.1357 5.1357 5.2691 5.2691 5.4679 5.4679 6.2470 6.2470 6.3486 6.3486 6.7064 6.7064 6.7939 6.7939 7.2285 7.2285 8.1468 8.1468 8.5046 8.5046 8.6427 8.6427 9.9351 9.9351 12.9677 12.9677 14.0556 14.0556 14.2894 14.2894 k =-0.0656 0.1072 0.9574 ( 3590 PWs) bands (ev): -30.5722 -30.5722 -11.8456 -11.8456 -11.4769 -11.4769 -11.4603 -11.4603 0.5331 0.5331 2.0421 2.0421 3.7170 3.7170 3.8160 3.8160 4.9878 4.9878 5.1342 5.1342 5.2612 5.2612 5.4834 5.4834 6.2515 6.2515 6.3342 6.3342 6.6866 6.6866 6.7924 6.7924 7.1890 7.1890 8.1590 8.1590 8.5524 8.5524 8.6946 8.6946 9.9769 9.9769 12.9724 12.9724 14.0522 14.0522 14.3456 14.3456 k =-0.0750 0.1225 0.9574 ( 3588 PWs) bands (ev): -30.5723 -30.5723 -11.8454 -11.8454 -11.4767 -11.4767 -11.4603 -11.4603 0.5320 0.5320 2.0054 2.0054 3.7410 3.7410 3.8320 3.8320 4.9697 4.9697 5.1295 5.1295 5.2563 5.2563 5.4977 5.4977 6.2541 6.2541 6.3210 6.3210 6.6651 6.6651 6.7905 6.7905 7.1492 7.1492 8.1688 8.1688 8.6088 8.6088 8.7513 8.7513 10.0241 10.0241 12.9778 12.9778 14.0486 14.0486 14.4092 14.4092 k =-0.0844 0.1378 0.9574 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8453 -11.8453 -11.4764 -11.4764 -11.4603 -11.4603 0.5308 0.5308 1.9651 1.9651 3.7676 3.7676 3.8496 3.8496 4.9509 4.9509 5.1218 5.1218 5.2540 5.2540 5.5106 5.5106 6.2518 6.2518 6.3120 6.3120 6.6425 6.6425 6.7881 6.7881 7.1103 7.1103 8.1769 8.1769 8.6725 8.6725 8.8128 8.8128 10.0766 10.0766 12.9841 12.9841 14.0449 14.0449 14.4790 14.4790 k =-0.0938 0.1531 0.9574 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8451 -11.8451 -11.4761 -11.4761 -11.4603 -11.4603 0.5294 0.5294 1.9216 1.9216 3.7963 3.7963 3.8691 3.8691 4.9318 4.9318 5.1117 5.1117 5.2536 5.2536 5.5220 5.5220 6.2427 6.2427 6.3093 6.3093 6.6191 6.6191 6.7853 6.7853 7.0730 7.0730 8.1840 8.1840 8.7420 8.7420 8.8787 8.8787 10.1340 10.1340 12.9912 12.9912 14.0412 14.0412 14.4993 14.4993 k =-0.0938 0.1531 0.9574 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8451 -11.8451 -11.4761 -11.4761 -11.4603 -11.4603 0.5294 0.5294 1.9216 1.9216 3.7963 3.7963 3.8691 3.8691 4.9318 4.9318 5.1117 5.1117 5.2536 5.2536 5.5220 5.5220 6.2427 6.2427 6.3093 6.3093 6.6191 6.6191 6.7853 6.7853 7.0730 7.0730 8.1840 8.1840 8.7420 8.7420 8.8787 8.8787 10.1340 10.1340 12.9912 12.9912 14.0412 14.0412 14.4993 14.4993 k =-0.1008 0.1645 0.9440 ( 3574 PWs) bands (ev): -30.5723 -30.5723 -11.8450 -11.8450 -11.4758 -11.4758 -11.4603 -11.4603 0.5275 0.5275 1.8873 1.8873 3.8185 3.8185 3.8859 3.8859 4.9171 4.9171 5.1022 5.1022 5.2540 5.2540 5.5297 5.5297 6.2326 6.2326 6.3110 6.3110 6.6014 6.6014 6.7805 6.7805 7.0461 7.0461 8.1911 8.1911 8.7991 8.7991 8.9317 8.9317 10.1789 10.1789 12.9991 12.9991 14.0282 14.0282 14.4802 14.4802 k =-0.1078 0.1760 0.9306 ( 3576 PWs) bands (ev): -30.5723 -30.5723 -11.8448 -11.8448 -11.4755 -11.4755 -11.4602 -11.4602 0.5245 0.5245 1.8519 1.8519 3.8413 3.8413 3.9053 3.9053 4.9021 4.9021 5.0904 5.0904 5.2549 5.2549 5.5369 5.5369 6.2217 6.2217 6.3144 6.3144 6.5838 6.5838 6.7695 6.7695 7.0207 7.0207 8.2028 8.2028 8.8623 8.8623 8.9887 8.9887 10.2245 10.2245 13.0114 13.0114 13.9972 13.9972 14.4627 14.4627 k =-0.1148 0.1874 0.9171 ( 3577 PWs) bands (ev): -30.5724 -30.5724 -11.8447 -11.8447 -11.4752 -11.4752 -11.4602 -11.4602 0.5203 0.5203 1.8157 1.8157 3.8644 3.8644 3.9271 3.9271 4.8872 4.8872 5.0769 5.0769 5.2560 5.2560 5.5431 5.5431 6.2110 6.2110 6.3180 6.3180 6.5665 6.5665 6.7518 6.7518 6.9982 6.9982 8.2194 8.2194 8.9302 8.9302 9.0495 9.0495 10.2712 10.2712 13.0279 13.0279 13.9529 13.9529 14.4419 14.4419 k =-0.1218 0.1989 0.9037 ( 3579 PWs) bands (ev): -30.5724 -30.5724 -11.8445 -11.8445 -11.4749 -11.4749 -11.4602 -11.4602 0.5151 0.5151 1.7788 1.7788 3.8880 3.8880 3.9510 3.9510 4.8726 4.8726 5.0622 5.0622 5.2571 5.2571 5.5479 5.5479 6.2006 6.2006 6.3207 6.3207 6.5498 6.5498 6.7280 6.7280 6.9792 6.9792 8.2412 8.2412 9.0017 9.0017 9.1138 9.1138 10.3194 10.3194 13.0484 13.0484 13.8998 13.8998 14.4147 14.4147 k =-0.1288 0.2103 0.8903 ( 3581 PWs) bands (ev): -30.5724 -30.5724 -11.8443 -11.8443 -11.4746 -11.4746 -11.4601 -11.4601 0.5089 0.5089 1.7417 1.7417 3.9119 3.9119 3.9767 3.9767 4.8585 4.8585 5.0468 5.0468 5.2577 5.2577 5.5511 5.5511 6.1906 6.1906 6.3217 6.3217 6.5334 6.5334 6.7002 6.7002 6.9630 6.9630 8.2685 8.2685 9.0756 9.0756 9.1814 9.1814 10.3695 10.3695 13.0727 13.0727 13.8412 13.8412 14.3802 14.3802 k =-0.1358 0.2217 0.8769 ( 3579 PWs) bands (ev): -30.5725 -30.5725 -11.8441 -11.8441 -11.4743 -11.4743 -11.4600 -11.4600 0.5019 0.5019 1.7044 1.7044 3.9364 3.9364 4.0039 4.0039 4.8450 4.8450 5.0313 5.0313 5.2578 5.2578 5.5526 5.5526 6.1808 6.1808 6.3203 6.3203 6.5162 6.5162 6.6715 6.6715 6.9484 6.9484 8.3016 8.3016 9.1504 9.1504 9.2522 9.2522 10.4221 10.4221 13.1006 13.1006 13.7792 13.7792 14.3394 14.3394 k =-0.1428 0.2332 0.8635 ( 3578 PWs) bands (ev): -30.5725 -30.5725 -11.8439 -11.8439 -11.4740 -11.4740 -11.4599 -11.4599 0.4942 0.4942 1.6673 1.6673 3.9614 3.9614 4.0322 4.0322 4.8322 4.8322 5.0158 5.0158 5.2571 5.2571 5.5524 5.5524 6.1711 6.1711 6.3162 6.3162 6.4966 6.4966 6.6456 6.6456 6.9343 6.9343 8.3407 8.3407 9.2249 9.2249 9.3262 9.3262 10.4777 10.4777 13.1316 13.1316 13.7150 13.7150 14.2935 14.2935 k =-0.1498 0.2446 0.8501 ( 3576 PWs) bands (ev): -30.5725 -30.5725 -11.8437 -11.8437 -11.4737 -11.4737 -11.4597 -11.4597 0.4859 0.4859 1.6305 1.6305 3.9870 3.9870 4.0613 4.0613 4.8201 4.8201 5.0007 5.0007 5.2558 5.2558 5.5506 5.5506 6.1610 6.1610 6.3093 6.3093 6.4728 6.4728 6.6258 6.6258 6.9197 6.9197 8.3859 8.3859 9.2977 9.2977 9.4031 9.4031 10.5371 10.5371 13.1656 13.1656 13.6496 13.6496 14.2440 14.2440 k =-0.1568 0.2560 0.8367 ( 3573 PWs) bands (ev): -30.5726 -30.5726 -11.8435 -11.8435 -11.4734 -11.4734 -11.4595 -11.4595 0.4771 0.4771 1.5943 1.5943 4.0132 4.0132 4.0910 4.0910 4.8089 4.8089 4.9861 4.9861 5.2537 5.2537 5.5474 5.5474 6.1503 6.1503 6.3000 6.3000 6.4441 6.4441 6.6133 6.6133 6.9041 6.9041 8.4371 8.4371 9.3679 9.3679 9.4824 9.4824 10.6008 10.6008 13.2020 13.2020 13.5833 13.5833 14.1920 14.1920 k =-0.1638 0.2675 0.8233 ( 3577 PWs) bands (ev): -30.5726 -30.5726 -11.8433 -11.8433 -11.4732 -11.4732 -11.4594 -11.4594 0.4679 0.4679 1.5589 1.5589 4.0399 4.0399 4.1210 4.1210 4.7984 4.7984 4.9723 4.9723 5.2508 5.2508 5.5428 5.5428 6.1386 6.1386 6.2886 6.2886 6.4122 6.4122 6.6073 6.6073 6.8873 6.8873 8.4942 8.4942 9.4347 9.4347 9.5637 9.5637 10.6696 10.6696 13.2406 13.2406 13.5166 13.5166 14.1386 14.1386 k =-0.1708 0.2789 0.8099 ( 3577 PWs) bands (ev): -30.5727 -30.5727 -11.8430 -11.8430 -11.4729 -11.4729 -11.4591 -11.4591 0.4584 0.4584 1.5243 1.5243 4.0670 4.0670 4.1511 4.1511 4.7886 4.7886 4.9592 4.9592 5.2473 5.2473 5.5370 5.5370 6.1254 6.1254 6.2756 6.2756 6.3792 6.3792 6.6058 6.6058 6.8691 6.8691 8.5571 8.5571 9.4974 9.4974 9.6459 9.6459 10.7441 10.7441 13.2807 13.2807 13.4496 13.4496 14.0847 14.0847 k =-0.1778 0.2903 0.7964 ( 3575 PWs) bands (ev): -30.5727 -30.5727 -11.8428 -11.8428 -11.4727 -11.4727 -11.4588 -11.4588 0.4487 0.4487 1.4909 1.4909 4.0946 4.0946 4.1812 4.1812 4.7795 4.7795 4.9472 4.9472 5.2431 5.2431 5.5302 5.5302 6.1104 6.1104 6.2613 6.2613 6.3474 6.3474 6.6070 6.6070 6.8498 6.8498 8.6255 8.6255 9.5559 9.5559 9.7281 9.7281 10.8245 10.8245 13.3216 13.3216 13.3826 13.3826 14.0310 14.0310 k =-0.1848 0.3018 0.7830 ( 3577 PWs) bands (ev): -30.5727 -30.5727 -11.8426 -11.8426 -11.4726 -11.4726 -11.4585 -11.4585 0.4390 0.4390 1.4586 1.4586 4.1225 4.1225 4.2109 4.2109 4.7709 4.7709 4.9361 4.9361 5.2383 5.2383 5.5226 5.5226 6.0929 6.0929 6.2459 6.2459 6.3187 6.3187 6.6095 6.6095 6.8296 6.8296 8.6990 8.6990 9.6098 9.6098 9.8093 9.8093 10.9114 10.9114 13.3134 13.3134 13.3649 13.3649 13.9784 13.9784 k =-0.1918 0.3132 0.7696 ( 3576 PWs) bands (ev): -30.5728 -30.5728 -11.8424 -11.8424 -11.4724 -11.4724 -11.4582 -11.4582 0.4294 0.4294 1.4277 1.4277 4.1505 4.1505 4.2403 4.2403 4.7629 4.7629 4.9260 4.9260 5.2329 5.2329 5.5144 5.5144 6.0728 6.0728 6.2297 6.2297 6.2941 6.2941 6.6122 6.6122 6.8090 6.8090 8.7773 8.7773 9.6590 9.6590 9.8885 9.8885 11.0047 11.0047 13.2461 13.2461 13.4060 13.4060 13.9277 13.9277 k =-0.1988 0.3247 0.7562 ( 3574 PWs) bands (ev): -30.5728 -30.5728 -11.8422 -11.8422 -11.4723 -11.4723 -11.4579 -11.4579 0.4199 0.4199 1.3982 1.3982 4.1786 4.1786 4.2690 4.2690 4.7552 4.7552 4.9170 4.9170 5.2269 5.2269 5.5058 5.5058 6.0500 6.0500 6.2136 6.2136 6.2740 6.2740 6.6140 6.6140 6.7886 6.7886 8.8600 8.8600 9.7036 9.7036 9.9646 9.9646 11.1045 11.1045 13.1784 13.1784 13.4465 13.4465 13.8797 13.8797 k =-0.2058 0.3361 0.7428 ( 3576 PWs) bands (ev): -30.5728 -30.5728 -11.8420 -11.8420 -11.4722 -11.4722 -11.4575 -11.4575 0.4106 0.4106 1.3703 1.3703 4.2066 4.2066 4.2970 4.2970 4.7479 4.7479 4.9090 4.9090 5.2204 5.2204 5.4971 5.4971 6.0249 6.0249 6.1983 6.1983 6.2577 6.2577 6.6141 6.6141 6.7692 6.7692 8.9465 8.9465 9.7436 9.7436 10.0366 10.0366 11.2104 11.2104 13.1107 13.1107 13.4847 13.4847 13.8352 13.8352 k =-0.2128 0.3475 0.7294 ( 3571 PWs) bands (ev): -30.5729 -30.5729 -11.8418 -11.8418 -11.4721 -11.4721 -11.4571 -11.4571 0.4016 0.4016 1.3441 1.3441 4.2344 4.2344 4.3241 4.3241 4.7409 4.7409 4.9020 4.9020 5.2133 5.2133 5.4886 5.4886 5.9980 5.9980 6.1848 6.1848 6.2443 6.2443 6.6114 6.6114 6.7519 6.7519 9.0364 9.0364 9.7793 9.7793 10.1033 10.1033 11.3222 11.3222 13.0436 13.0436 13.5189 13.5189 13.7952 13.7952 k =-0.2198 0.3590 0.7160 ( 3577 PWs) bands (ev): -30.5729 -30.5729 -11.8417 -11.8417 -11.4721 -11.4721 -11.4568 -11.4568 0.3931 0.3931 1.3197 1.3197 4.2617 4.2617 4.3502 4.3502 4.7341 4.7341 4.8958 4.8958 5.2056 5.2056 5.4804 5.4804 5.9703 5.9703 6.1733 6.1733 6.2331 6.2331 6.6051 6.6051 6.7376 6.7376 9.1290 9.1290 9.8110 9.8110 10.1635 10.1635 11.4393 11.4393 12.9776 12.9776 13.5468 13.5468 13.7608 13.7608 k =-0.2268 0.3704 0.7026 ( 3571 PWs) bands (ev): -30.5729 -30.5729 -11.8415 -11.8415 -11.4720 -11.4720 -11.4564 -11.4564 0.3850 0.3850 1.2972 1.2972 4.2883 4.2883 4.3752 4.3752 4.7276 4.7276 4.8904 4.8904 5.1975 5.1975 5.4729 5.4729 5.9426 5.9426 6.1638 6.1638 6.2238 6.2238 6.5945 6.5945 6.7272 6.7272 9.2238 9.2238 9.8388 9.8388 10.2161 10.2161 11.5613 11.5613 12.9135 12.9135 13.5650 13.5650 13.7334 13.7334 k =-0.2338 0.3818 0.6892 ( 3571 PWs) bands (ev): -30.5730 -30.5730 -11.8413 -11.8413 -11.4720 -11.4720 -11.4561 -11.4561 0.3775 0.3775 1.2765 1.2765 4.3139 4.3139 4.3989 4.3989 4.7213 4.7213 4.8856 4.8856 5.1889 5.1889 5.4663 5.4663 5.9155 5.9155 6.1562 6.1562 6.2160 6.2160 6.5803 6.5803 6.7204 6.7204 9.3202 9.3202 9.8631 9.8631 10.2598 10.2598 11.6874 11.6874 12.8521 12.8521 13.5703 13.5703 13.7136 13.7136 k =-0.2408 0.3933 0.6757 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8412 -11.8412 -11.4720 -11.4720 -11.4557 -11.4557 0.3705 0.3705 1.2579 1.2579 4.3383 4.3383 4.4211 4.4211 4.7153 4.7153 4.8812 4.8812 5.1800 5.1800 5.4607 5.4607 5.8897 5.8897 6.1502 6.1502 6.2096 6.2096 6.5633 6.5633 6.7166 6.7166 9.4173 9.4173 9.8842 9.8842 10.2934 10.2934 11.8169 11.8169 12.7945 12.7945 13.5614 13.5614 13.6992 13.6992 k =-0.2479 0.4047 0.6623 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4720 -11.4720 -11.4554 -11.4554 0.3643 0.3643 1.2413 1.2413 4.3611 4.3611 4.4418 4.4418 4.7097 4.7097 4.8771 4.8771 5.1710 5.1710 5.4563 5.4563 5.8656 5.8656 6.1456 6.1456 6.2046 6.2046 6.5450 6.5450 6.7147 6.7147 9.5144 9.5144 9.9024 9.9024 10.3160 10.3160 11.9488 11.9488 12.7421 12.7421 13.5397 13.5397 13.6848 13.6848 k =-0.2549 0.4162 0.6489 ( 3568 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4720 -11.4720 -11.4552 -11.4552 0.3588 0.3588 1.2269 1.2269 4.3819 4.3819 4.4607 4.4607 4.7046 4.7046 4.8731 4.8731 5.1623 5.1623 5.4530 5.4530 5.8437 5.8437 6.1422 6.1422 6.2010 6.2010 6.5265 6.5265 6.7140 6.7140 9.6104 9.6104 9.9179 9.9179 10.3268 10.3268 12.0817 12.0817 12.6964 12.6964 13.5048 13.5048 13.6673 13.6673 k =-0.2619 0.4276 0.6355 ( 3566 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4720 -11.4720 -11.4549 -11.4549 0.3541 0.3541 1.2146 1.2146 4.4005 4.4005 4.4775 4.4775 4.7000 4.7000 4.8693 4.8693 5.1541 5.1541 5.4507 5.4507 5.8243 5.8243 6.1396 6.1396 6.1986 6.1986 6.5089 6.5089 6.7140 6.7140 9.7043 9.7043 9.9312 9.9312 10.3253 10.3253 12.2135 12.2135 12.6597 12.6597 13.4536 13.4536 13.6484 13.6484 k =-0.2689 0.4390 0.6221 ( 3560 PWs) bands (ev): -30.5731 -30.5731 -11.8408 -11.8408 -11.4720 -11.4720 -11.4547 -11.4547 0.3501 0.3501 1.2044 1.2044 4.4163 4.4163 4.4920 4.4920 4.6962 4.6962 4.8658 4.8658 5.1468 5.1468 5.4492 5.4492 5.8079 5.8079 6.1377 6.1377 6.1974 6.1974 6.4931 6.4931 6.7143 6.7143 9.7943 9.7943 9.9429 9.9429 10.3112 10.3112 12.3387 12.3387 12.6371 12.6371 13.3834 13.3834 13.6318 13.6318 k =-0.2759 0.4505 0.6087 ( 3566 PWs) bands (ev): -30.5731 -30.5731 -11.8407 -11.8407 -11.4720 -11.4720 -11.4546 -11.4546 0.3471 0.3471 1.1965 1.1965 4.4291 4.4291 4.5037 4.5037 4.6932 4.6932 4.8625 4.8625 5.1407 5.1407 5.4484 5.4484 5.7947 5.7947 6.1363 6.1363 6.1970 6.1970 6.4797 6.4797 6.7148 6.7148 9.8760 9.8760 9.9561 9.9561 10.2852 10.2852 12.4405 12.4405 12.6446 12.6446 13.2950 13.2950 13.6195 13.6195 k =-0.2829 0.4619 0.5953 ( 3564 PWs) bands (ev): -30.5731 -30.5731 -11.8407 -11.8407 -11.4720 -11.4720 -11.4544 -11.4544 0.3448 0.3448 1.1909 1.1909 4.4384 4.4384 4.5124 4.5124 4.6911 4.6911 4.8599 4.8599 5.1361 5.1361 5.4481 5.4481 5.7850 5.7850 6.1353 6.1353 6.1971 6.1971 6.4696 6.4696 6.7151 6.7151 9.9300 9.9300 9.9882 9.9882 10.2487 10.2487 12.4895 12.4895 12.7102 12.7102 13.1926 13.1926 13.6115 13.6115 k =-0.2899 0.4733 0.5819 ( 3563 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4720 -11.4720 -11.4544 -11.4544 0.3435 0.3435 1.1874 1.1874 4.4442 4.4442 4.5178 4.5178 4.6898 4.6898 4.8583 4.8583 5.1333 5.1333 5.4480 5.4480 5.7791 5.7791 6.1347 6.1347 6.1974 6.1974 6.4632 6.4632 6.7154 6.7154 9.9447 9.9447 10.0460 10.0460 10.2061 10.2061 12.4999 12.4999 12.8151 12.8151 13.0834 13.0834 13.6071 13.6071 k =-0.2969 0.4848 0.5685 ( 3563 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4720 -11.4720 -11.4544 -11.4544 0.3431 0.3431 1.1863 1.1863 4.4460 4.4460 4.5196 4.5196 4.6895 4.6895 4.8577 4.8577 5.1323 5.1323 5.4480 5.4480 5.7771 5.7771 6.1345 6.1345 6.1976 6.1976 6.4610 6.4610 6.7155 6.7155 9.9475 9.9475 10.0796 10.0796 10.1795 10.1795 12.5010 12.5010 12.8932 12.8932 13.0063 13.0063 13.6057 13.6057 k =-0.2969 0.4848 0.5685 ( 3563 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4720 -11.4720 -11.4544 -11.4544 0.3431 0.3431 1.1863 1.1863 4.4460 4.4460 4.5196 4.5196 4.6895 4.6895 4.8577 4.8577 5.1323 5.1323 5.4480 5.4480 5.7771 5.7771 6.1345 6.1345 6.1976 6.1976 6.4610 6.4610 6.7155 6.7155 9.9475 9.9475 10.0796 10.0796 10.1795 10.1795 12.5010 12.5010 12.8932 12.8932 13.0063 13.0063 13.6057 13.6057 k =-0.2900 0.4735 0.5552 ( 3559 PWs) bands (ev): -30.5731 -30.5731 -11.8408 -11.8408 -11.4723 -11.4723 -11.4542 -11.4542 0.3288 0.3288 1.2393 1.2393 4.4583 4.4583 4.5433 4.5433 4.6814 4.6814 4.8220 4.8220 5.1334 5.1334 5.4696 5.4696 5.7464 5.7464 6.1382 6.1382 6.1853 6.1853 6.4290 6.4290 6.7203 6.7203 9.8491 9.8491 10.0357 10.0357 10.2126 10.2126 12.5312 12.5312 12.8232 12.8232 13.0001 13.0001 13.6545 13.6545 k =-0.2831 0.4622 0.5420 ( 3567 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4727 -11.4727 -11.4541 -11.4541 0.3122 0.3122 1.2916 1.2916 4.4691 4.4691 4.5654 4.5654 4.6603 4.6603 4.7983 4.7983 5.1388 5.1388 5.4923 5.4923 5.7180 5.7180 6.1412 6.1412 6.1780 6.1780 6.3982 6.3982 6.7284 6.7284 9.7506 9.7506 9.9891 9.9891 10.2507 10.2507 12.5370 12.5370 12.7744 12.7744 12.9976 12.9976 13.7050 13.7050 k =-0.2762 0.4510 0.5288 ( 3563 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4729 -11.4729 -11.4540 -11.4540 0.2931 0.2931 1.3429 1.3429 4.4779 4.4779 4.5825 4.5825 4.6298 4.6298 4.7892 4.7892 5.1466 5.1466 5.5151 5.5151 5.6929 5.6929 6.1406 6.1406 6.1795 6.1795 6.3689 6.3689 6.7395 6.7395 9.6525 9.6525 9.9441 9.9441 10.2896 10.2896 12.5009 12.5009 12.7660 12.7660 12.9975 12.9975 13.7566 13.7566 k =-0.2693 0.4397 0.5156 ( 3555 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4731 -11.4731 -11.4539 -11.4539 0.2716 0.2716 1.3929 1.3929 4.4833 4.4833 4.5723 4.5723 4.6189 4.6189 4.7903 4.7903 5.1554 5.1554 5.5364 5.5364 5.6729 5.6729 6.1376 6.1376 6.1887 6.1887 6.3413 6.3413 6.7532 6.7532 9.5549 9.5549 9.9018 9.9018 10.3286 10.3286 12.4312 12.4312 12.7894 12.7894 12.9996 12.9996 13.8087 13.8087 k =-0.2624 0.4284 0.5024 ( 3561 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4732 -11.4732 -11.4538 -11.4538 0.2477 0.2477 1.4414 1.4414 4.4813 4.4813 4.5397 4.5397 4.6309 4.6309 4.7976 4.7976 5.1645 5.1645 5.5538 5.5538 5.6607 5.6607 6.1357 6.1357 6.2023 6.2023 6.3159 6.3159 6.7692 6.7692 9.4579 9.4579 9.8627 9.8627 10.3674 10.3674 12.3462 12.3462 12.8263 12.8263 13.0039 13.0039 13.8607 13.8607 k =-0.2555 0.4171 0.4891 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4538 -11.4538 0.2214 0.2214 1.4881 1.4881 4.4617 4.4617 4.5195 4.5195 4.6436 4.6436 4.8088 4.8088 5.1734 5.1734 5.5636 5.5636 5.6607 5.6607 6.1368 6.1368 6.2177 6.2177 6.2938 6.2938 6.7873 6.7873 9.3616 9.3616 9.8269 9.8269 10.4060 10.4060 12.2544 12.2544 12.8675 12.8675 13.0103 13.0103 13.9124 13.9124 k =-0.2486 0.4059 0.4759 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.1928 0.1928 1.5326 1.5326 4.4273 4.4273 4.5128 4.5128 4.6545 4.6545 4.8216 4.8216 5.1825 5.1825 5.5646 5.5646 5.6745 5.6745 6.1416 6.1416 6.2311 6.2311 6.2789 6.2789 6.8072 6.8072 9.2661 9.2661 9.7948 9.7948 10.4446 10.4446 12.1591 12.1591 12.9087 12.9087 13.0192 13.0192 13.9632 13.9632 k =-0.2416 0.3946 0.4627 ( 3563 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4732 -11.4732 -11.4537 -11.4537 0.1620 0.1620 1.5749 1.5749 4.3901 4.3901 4.5085 4.5085 4.6637 4.6637 4.8341 4.8341 5.1924 5.1924 5.5605 5.5605 5.6986 5.6986 6.1494 6.1494 6.2336 6.2336 6.2809 6.2809 6.8287 6.8287 9.1714 9.1714 9.7664 9.7664 10.4832 10.4832 12.0620 12.0620 12.9473 12.9473 13.0309 13.0309 14.0128 14.0128 k =-0.2347 0.3833 0.4495 ( 3561 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4731 -11.4731 -11.4537 -11.4537 0.1292 0.1292 1.6147 1.6147 4.3541 4.3541 4.5031 4.5031 4.6719 4.6719 4.8440 4.8440 5.2043 5.2043 5.5555 5.5555 5.7293 5.7293 6.1577 6.1577 6.2286 6.2286 6.2986 6.2986 6.8516 6.8516 9.0777 9.0777 9.7419 9.7419 10.5218 10.5218 11.9636 11.9636 12.9809 12.9809 13.0460 13.0460 14.0607 14.0607 k =-0.2278 0.3720 0.4363 ( 3557 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4729 -11.4729 -11.4536 -11.4536 0.0945 0.0945 1.6518 1.6518 4.3204 4.3204 4.4957 4.4957 4.6792 4.6792 4.8495 4.8495 5.2190 5.2190 5.5518 5.5518 5.7648 5.7648 6.1618 6.1618 6.2308 6.2308 6.3226 6.3226 6.8756 6.8756 8.9849 8.9849 9.7215 9.7215 10.5605 10.5605 11.8644 11.8644 13.0083 13.0083 13.0641 13.0641 14.1066 14.1066 k =-0.2209 0.3608 0.4230 ( 3565 PWs) bands (ev): -30.5731 -30.5731 -11.8408 -11.8408 -11.4727 -11.4727 -11.4536 -11.4536 0.0581 0.0581 1.6860 1.6860 4.2892 4.2892 4.4864 4.4864 4.6861 4.6861 4.8496 4.8496 5.2366 5.2366 5.5509 5.5509 5.8040 5.8040 6.1589 6.1589 6.2457 6.2457 6.3496 6.3496 6.9007 6.9007 8.8932 8.8932 9.7053 9.7053 10.5995 10.5995 11.7646 11.7646 13.0303 13.0303 13.0828 13.0828 14.1501 14.1501 k =-0.2140 0.3495 0.4098 ( 3561 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4724 -11.4724 -11.4536 -11.4536 0.0201 0.0201 1.7172 1.7172 4.2608 4.2608 4.4753 4.4753 4.6924 4.6924 4.8443 4.8443 5.2564 5.2564 5.5539 5.5539 5.8465 5.8465 6.1527 6.1527 6.2707 6.2707 6.3789 6.3789 6.9265 6.9265 8.8026 8.8026 9.6934 9.6934 10.6387 10.6387 11.6647 11.6647 13.0493 13.0493 13.0986 13.0986 14.1907 14.1907 k =-0.2071 0.3382 0.3966 ( 3565 PWs) bands (ev): -30.5731 -30.5731 -11.8404 -11.8404 -11.4720 -11.4720 -11.4536 -11.4536 -0.0191 -0.0191 1.7454 1.7454 4.2348 4.2348 4.4626 4.4626 4.6982 4.6982 4.8341 4.8341 5.2767 5.2767 5.5621 5.5621 5.8914 5.8914 6.1466 6.1466 6.3029 6.3029 6.4101 6.4101 6.9529 6.9529 8.7131 8.7131 9.6859 9.6859 10.6782 10.6782 11.5646 11.5646 13.0665 13.0665 13.1088 13.1088 14.2282 14.2282 k =-0.2002 0.3269 0.3834 ( 3569 PWs) bands (ev): -30.5731 -30.5731 -11.8403 -11.8403 -11.4716 -11.4716 -11.4537 -11.4537 -0.0595 -0.0595 1.7705 1.7705 4.2113 4.2113 4.4487 4.4487 4.7033 4.7033 4.8202 4.8202 5.2956 5.2956 5.5767 5.5767 5.9380 5.9380 6.1423 6.1423 6.3410 6.3410 6.4431 6.4431 6.9797 6.9797 8.6248 8.6248 9.6831 9.6831 10.7179 10.7179 11.4646 11.4646 13.0813 13.0813 13.1134 13.1134 14.2621 14.2621 k =-0.1933 0.3157 0.3702 ( 3569 PWs) bands (ev): -30.5731 -30.5731 -11.8400 -11.8400 -11.4712 -11.4712 -11.4537 -11.4537 -0.1007 -0.1007 1.7924 1.7924 4.1899 4.1899 4.4338 4.4338 4.7074 4.7074 4.8037 4.8037 5.3117 5.3117 5.5979 5.5979 5.9854 5.9854 6.1409 6.1409 6.3850 6.3850 6.4777 6.4777 7.0066 7.0066 8.5378 8.5378 9.6849 9.6849 10.7579 10.7579 11.3650 11.3650 13.0870 13.0870 13.1185 13.1185 14.2920 14.2920 k =-0.1864 0.3044 0.3569 ( 3569 PWs) bands (ev): -30.5732 -30.5732 -11.8398 -11.8398 -11.4707 -11.4707 -11.4538 -11.4538 -0.1425 -0.1425 1.8113 1.8113 4.1704 4.1704 4.4182 4.4182 4.7098 4.7098 4.7861 4.7861 5.3245 5.3245 5.6252 5.6252 6.0325 6.0325 6.1429 6.1429 6.4353 6.4353 6.5139 6.5139 7.0334 7.0334 8.4522 8.4522 9.6916 9.6916 10.7979 10.7979 11.2661 11.2661 13.0763 13.0763 13.1318 13.1318 14.3176 14.3176 k =-0.1795 0.2931 0.3437 ( 3561 PWs) bands (ev): -30.5732 -30.5732 -11.8395 -11.8395 -11.4701 -11.4701 -11.4538 -11.4538 -0.1848 -0.1848 1.8272 1.8272 4.1525 4.1525 4.4021 4.4021 4.7091 4.7091 4.7698 4.7698 5.3345 5.3345 5.6570 5.6570 6.0782 6.0782 6.1486 6.1486 6.4927 6.4927 6.5515 6.5515 7.0599 7.0599 8.3682 8.3682 9.7033 9.7033 10.8372 10.8372 11.1686 11.1686 13.0541 13.0541 13.1487 13.1487 14.3385 14.3385 k =-0.1726 0.2818 0.3305 ( 3563 PWs) bands (ev): -30.5732 -30.5732 -11.8392 -11.8392 -11.4695 -11.4695 -11.4539 -11.4539 -0.2273 -0.2273 1.8403 1.8403 4.1359 4.1359 4.3857 4.3857 4.7028 4.7028 4.7577 4.7577 5.3426 5.3426 5.6914 5.6914 6.1218 6.1218 6.1586 6.1586 6.5576 6.5576 6.5904 6.5904 7.0859 7.0859 8.2857 8.2857 9.7200 9.7200 10.8733 10.8733 11.0753 11.0753 13.0237 13.0237 13.1664 13.1664 14.3545 14.3545 k =-0.1657 0.2706 0.3173 ( 3567 PWs) bands (ev): -30.5733 -30.5733 -11.8390 -11.8390 -11.4689 -11.4689 -11.4539 -11.4539 -0.2698 -0.2698 1.8505 1.8505 4.1205 4.1205 4.3693 4.3693 4.6895 4.6895 4.7519 4.7519 5.3497 5.3497 5.7265 5.7265 6.1621 6.1621 6.1733 6.1733 6.6279 6.6279 6.6329 6.6329 7.1111 7.1111 8.2051 8.2051 9.7420 9.7420 10.8908 10.8908 11.0015 11.0015 12.9871 12.9871 13.1838 13.1838 14.3652 14.3652 k =-0.1588 0.2593 0.3041 ( 3571 PWs) bands (ev): -30.5733 -30.5733 -11.8387 -11.8387 -11.4683 -11.4683 -11.4540 -11.4540 -0.3121 -0.3121 1.8583 1.8583 4.1058 4.1058 4.3532 4.3532 4.6711 4.6711 4.7505 4.7505 5.3568 5.3568 5.7609 5.7609 6.1902 6.1902 6.2018 6.2018 6.6708 6.6708 6.7119 6.7119 7.1354 7.1354 8.1264 8.1264 9.7692 9.7692 10.8408 10.8408 10.9964 10.9964 12.9457 12.9457 13.2000 13.2000 14.3704 14.3704 k =-0.1519 0.2480 0.2908 ( 3567 PWs) bands (ev): -30.5733 -30.5733 -11.8384 -11.8384 -11.4676 -11.4676 -11.4541 -11.4541 -0.3539 -0.3539 1.8636 1.8636 4.0915 4.0915 4.3376 4.3376 4.6505 4.6505 4.7513 4.7513 5.3643 5.3643 5.7935 5.7935 6.2130 6.2130 6.2369 6.2369 6.7126 6.7126 6.8002 6.8002 7.1585 7.1585 8.0502 8.0502 9.8018 9.8018 10.7532 10.7532 11.0301 11.0301 12.9005 12.9005 13.2140 13.2140 14.3696 14.3696 k =-0.1450 0.2368 0.2776 ( 3567 PWs) bands (ev): -30.5734 -30.5734 -11.8381 -11.8381 -11.4669 -11.4669 -11.4542 -11.4542 -0.3952 -0.3952 1.8668 1.8668 4.0775 4.0775 4.3228 4.3228 4.6291 4.6291 4.7529 4.7529 5.3727 5.3727 5.8236 5.8236 6.2386 6.2386 6.2703 6.2703 6.7551 6.7551 6.8952 6.8952 7.1805 7.1805 7.9766 7.9766 9.8398 9.8398 10.6597 10.6597 11.0710 11.0710 12.8525 12.8525 13.2248 13.2248 14.3624 14.3624 k =-0.1381 0.2255 0.2644 ( 3563 PWs) bands (ev): -30.5734 -30.5734 -11.8377 -11.8377 -11.4661 -11.4661 -11.4543 -11.4543 -0.4356 -0.4356 1.8681 1.8681 4.0635 4.0635 4.3089 4.3089 4.6075 4.6075 4.7549 4.7549 5.3824 5.3824 5.8512 5.8512 6.2659 6.2659 6.3028 6.3028 6.7982 6.7982 6.9951 6.9951 7.2016 7.2016 7.9065 7.9065 9.8832 9.8832 10.5652 10.5652 11.1143 11.1143 12.8027 12.8027 13.2309 13.2309 14.3480 14.3480 k =-0.1312 0.2142 0.2512 ( 3563 PWs) bands (ev): -30.5735 -30.5735 -11.8374 -11.8374 -11.4654 -11.4654 -11.4544 -11.4544 -0.4751 -0.4751 1.8676 1.8676 4.0493 4.0493 4.2963 4.2963 4.5863 4.5863 4.7570 4.7570 5.3935 5.3935 5.8764 5.8764 6.2933 6.2933 6.3352 6.3352 6.8419 6.8419 7.0960 7.0960 7.2244 7.2244 7.8407 7.8407 9.9318 9.9318 10.4712 10.4712 11.1585 11.1585 12.7517 12.7517 13.2304 13.2304 14.3257 14.3257 k =-0.1243 0.2029 0.2380 ( 3559 PWs) bands (ev): -30.5735 -30.5735 -11.8371 -11.8371 -11.4646 -11.4646 -11.4545 -11.4545 -0.5135 -0.5135 1.8656 1.8656 4.0348 4.0348 4.2849 4.2849 4.5655 4.5655 4.7591 4.7591 5.4061 5.4061 5.8996 5.8996 6.3194 6.3194 6.3685 6.3685 6.8861 6.8861 7.1797 7.1797 7.2648 7.2648 7.7810 7.7810 9.9855 9.9855 10.3784 10.3784 11.2034 11.2034 12.7001 12.7001 13.2212 13.2212 14.2948 14.2948 k =-0.1174 0.1917 0.2247 ( 3565 PWs) bands (ev): -30.5735 -30.5735 -11.8368 -11.8368 -11.4639 -11.4639 -11.4546 -11.4546 -0.5506 -0.5506 1.8623 1.8623 4.0200 4.0200 4.2751 4.2751 4.5453 4.5453 4.7611 4.7611 5.4201 5.4201 5.9211 5.9211 6.3433 6.3433 6.4024 6.4024 6.9306 6.9306 7.2147 7.2147 7.3500 7.3500 7.7311 7.7311 10.0434 10.0434 10.2879 10.2879 11.2485 11.2485 12.6483 12.6483 13.2009 13.2009 14.2543 14.2544 k =-0.1105 0.1804 0.2115 ( 3567 PWs) bands (ev): -30.5736 -30.5736 -11.8365 -11.8365 -11.4632 -11.4632 -11.4547 -11.4547 -0.5862 -0.5862 1.8580 1.8580 4.0048 4.0048 4.2667 4.2667 4.5258 4.5258 4.7630 4.7630 5.4355 5.4355 5.9414 5.9414 6.3650 6.3650 6.4363 6.4363 6.9753 6.9753 7.2251 7.2251 7.4461 7.4461 7.7007 7.7007 10.1000 10.1000 10.2054 10.2054 11.2937 11.2937 12.5967 12.5967 13.1672 13.1672 14.2036 14.2036 k =-0.1036 0.1691 0.1983 ( 3567 PWs) bands (ev): -30.5736 -30.5736 -11.8362 -11.8362 -11.4625 -11.4625 -11.4548 -11.4548 -0.6203 -0.6203 1.8528 1.8528 3.9895 3.9895 4.2598 4.2598 4.5069 4.5069 4.7649 4.7649 5.4523 5.4523 5.9610 5.9610 6.3847 6.3847 6.4692 6.4692 7.0195 7.0195 7.2253 7.2253 7.5108 7.5108 7.7176 7.7176 10.0889 10.0889 10.1975 10.1975 11.3387 11.3387 12.5454 12.5454 13.1185 13.1185 14.1419 14.1419 k =-0.0967 0.1578 0.1851 ( 3563 PWs) bands (ev): -30.5737 -30.5737 -11.8358 -11.8358 -11.4617 -11.4617 -11.4549 -11.4549 -0.6528 -0.6528 1.8470 1.8470 3.9741 3.9741 4.2543 4.2543 4.4888 4.4888 4.7668 4.7668 5.4701 5.4701 5.9800 5.9800 6.4025 6.4025 6.5000 6.5000 7.0621 7.0621 7.2181 7.2181 7.5238 7.5238 7.8001 7.8001 10.0098 10.0098 10.2644 10.2644 11.3834 11.3834 12.4946 12.4946 13.0544 13.0544 14.0693 14.0693 k =-0.0898 0.1466 0.1719 ( 3561 PWs) bands (ev): -30.5737 -30.5737 -11.8356 -11.8356 -11.4610 -11.4610 -11.4549 -11.4549 -0.6834 -0.6834 1.8407 1.8407 3.9588 3.9588 4.2502 4.2502 4.4713 4.4713 4.7686 4.7686 5.4889 5.4889 5.9989 5.9989 6.4188 6.4188 6.5277 6.5277 7.0999 7.0999 7.2068 7.2068 7.5178 7.5178 7.9150 7.9150 9.9270 9.9270 10.3422 10.3422 11.4273 11.4273 12.4442 12.4442 12.9757 12.9757 13.9866 13.9866 k =-0.0829 0.1353 0.1586 ( 3553 PWs) bands (ev): -30.5737 -30.5737 -11.8353 -11.8353 -11.4604 -11.4604 -11.4550 -11.4550 -0.7122 -0.7122 1.8341 1.8341 3.9438 3.9438 4.2474 4.2474 4.4546 4.4546 4.7704 4.7704 5.5084 5.5084 6.0179 6.0179 6.4336 6.4336 6.5513 6.5513 7.1216 7.1216 7.2039 7.2039 7.5129 7.5129 8.0402 8.0402 9.8460 9.8460 10.4255 10.4255 11.4703 11.4703 12.3939 12.3939 12.8845 12.8845 13.8954 13.8954 k =-0.0759 0.1240 0.1454 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8350 -11.8350 -11.4598 -11.4598 -11.4550 -11.4550 -0.7390 -0.7390 1.8275 1.8275 3.9293 3.9293 4.2457 4.2457 4.4386 4.4386 4.7721 4.7721 5.5282 5.5282 6.0371 6.0371 6.4471 6.4471 6.5700 6.5700 7.1139 7.1139 7.2244 7.2244 7.5138 7.5138 8.1688 8.1688 9.7683 9.7683 10.5132 10.5132 11.5118 11.5118 12.3434 12.3434 12.7838 12.7838 13.7979 13.7979 k =-0.0690 0.1127 0.1322 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8347 -11.8347 -11.4592 -11.4592 -11.4551 -11.4551 -0.7637 -0.7637 1.8209 1.8209 3.9154 3.9154 4.2451 4.2451 4.4232 4.4232 4.7738 4.7738 5.5481 5.5481 6.0568 6.0568 6.4593 6.4593 6.5827 6.5827 7.0907 7.0907 7.2563 7.2563 7.5212 7.5212 8.2972 8.2972 9.6947 9.6947 10.6046 10.6046 11.5516 11.5516 12.2920 12.2920 12.6768 12.6768 13.6967 13.6967 k =-0.0621 0.1015 0.1190 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8345 -11.8345 -11.4587 -11.4587 -11.4551 -11.4551 -0.7863 -0.7863 1.8145 1.8145 3.9024 3.9024 4.2455 4.2455 4.4086 4.4086 4.7755 4.7755 5.5677 5.5677 6.0772 6.0772 6.4702 6.4702 6.5887 6.5887 7.0647 7.0647 7.2883 7.2883 7.5347 7.5347 8.4229 8.4229 9.6267 9.6267 10.6993 10.6993 11.5890 11.5890 12.2386 12.2386 12.5673 12.5673 13.5942 13.5942 k =-0.0552 0.0902 0.1058 ( 3557 PWs) bands (ev): -30.5738 -30.5738 -11.8343 -11.8343 -11.4582 -11.4582 -11.4552 -11.4552 -0.8067 -0.8067 1.8085 1.8085 3.8904 3.8904 4.2468 4.2468 4.3947 4.3947 4.7770 4.7770 5.5866 5.5866 6.0985 6.0985 6.4800 6.4800 6.5874 6.5874 7.0410 7.0410 7.3164 7.3164 7.5539 7.5539 8.5431 8.5431 9.5657 9.5657 10.7965 10.7965 11.6234 11.6234 12.1817 12.1817 12.4592 12.4592 13.4928 13.4928 k =-0.0483 0.0789 0.0925 ( 3567 PWs) bands (ev): -30.5739 -30.5739 -11.8342 -11.8342 -11.4579 -11.4579 -11.4552 -11.4552 -0.8249 -0.8249 1.8029 1.8029 3.8794 3.8794 4.2488 4.2488 4.3816 4.3816 4.7784 4.7784 5.6044 5.6044 6.1206 6.1206 6.4886 6.4886 6.5787 6.5787 7.0213 7.0213 7.3393 7.3393 7.5779 7.5779 8.6545 8.6545 9.5139 9.5139 10.8956 10.8956 11.6539 11.6539 12.1199 12.1199 12.3567 12.3567 13.3951 13.3951 k =-0.0414 0.0676 0.0793 ( 3567 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4576 -11.4576 -11.4551 -11.4551 -0.8407 -0.8407 1.7978 1.7978 3.8697 3.8697 4.2516 4.2516 4.3694 4.3694 4.7797 4.7797 5.6208 5.6208 6.1437 6.1437 6.4960 6.4960 6.5633 6.5633 7.0065 7.0065 7.3571 7.3571 7.6051 7.6051 8.7529 8.7529 9.4740 9.4740 10.9956 10.9956 11.6793 11.6793 12.0526 12.0526 12.2635 12.2635 13.3037 13.3037 k =-0.0345 0.0564 0.0661 ( 3567 PWs) bands (ev): -30.5739 -30.5739 -11.8339 -11.8339 -11.4573 -11.4573 -11.4551 -11.4551 -0.8541 -0.8541 1.7934 1.7934 3.8614 3.8614 4.2549 4.2549 4.3581 4.3581 4.7809 4.7809 5.6353 5.6353 6.1676 6.1676 6.5023 6.5023 6.5424 6.5424 6.9961 6.9961 7.3704 7.3704 7.6332 7.6332 8.8335 8.8335 9.4493 9.4493 11.0954 11.0954 11.6975 11.6975 11.9822 11.9822 12.1814 12.1814 13.2211 13.2211 k =-0.0276 0.0451 0.0529 ( 3565 PWs) bands (ev): -30.5739 -30.5739 -11.8338 -11.8338 -11.4571 -11.4571 -11.4550 -11.4550 -0.8652 -0.8652 1.7897 1.7897 3.8544 3.8544 4.2586 4.2586 4.3479 4.3479 4.7819 4.7819 5.6476 5.6476 6.1918 6.1918 6.5073 6.5073 6.5183 6.5183 6.9893 6.9893 7.3801 7.3801 7.6601 7.6601 8.8923 8.8923 9.4417 9.4417 11.1933 11.1933 11.7052 11.7052 11.9158 11.9158 12.1094 12.1094 13.1498 13.1498 k =-0.0207 0.0338 0.0397 ( 3565 PWs) bands (ev): -30.5739 -30.5739 -11.8337 -11.8337 -11.4570 -11.4570 -11.4550 -11.4550 -0.8738 -0.8738 1.7867 1.7867 3.8490 3.8490 4.2625 4.2625 4.3390 4.3390 4.7827 4.7827 5.6576 5.6576 6.2154 6.2154 6.4927 6.4927 6.5115 6.5115 6.9852 6.9852 7.3869 7.3869 7.6836 7.6836 8.9290 8.9290 9.4490 9.4490 11.2866 11.2866 11.6981 11.6981 11.8623 11.8623 12.0475 12.0475 13.0919 13.0919 k =-0.0138 0.0225 0.0264 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8800 -0.8800 1.7846 1.7846 3.8450 3.8450 4.2660 4.2660 4.3319 4.3319 4.7833 4.7833 5.6648 5.6648 6.2367 6.2367 6.4693 6.4693 6.5143 6.5143 6.9830 6.9830 7.3914 7.3914 7.7018 7.7018 8.9480 8.9480 9.4642 9.4642 11.3709 11.3709 11.6766 11.6766 11.8253 11.8253 11.9983 11.9983 13.0492 13.0492 k =-0.0069 0.0113 0.0132 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8336 -11.8336 -11.4568 -11.4568 -11.4548 -11.4548 -0.8837 -0.8837 1.7833 1.7833 3.8426 3.8426 4.2686 4.2686 4.3271 4.3271 4.7836 4.7836 5.6692 5.6692 6.2524 6.2524 6.4520 6.4520 6.5160 6.5160 6.9819 6.9819 7.3939 7.3939 7.7134 7.7134 8.9559 8.9559 9.4781 9.4781 11.4369 11.4369 11.6509 11.6509 11.8008 11.8008 11.9672 11.9672 13.0231 13.0231 k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8335 -11.8335 -11.4568 -11.4568 -11.4548 -11.4548 -0.8849 -0.8849 1.7829 1.7829 3.8418 3.8418 4.2696 4.2696 4.3254 4.3254 4.7837 4.7837 5.6707 5.6707 6.2585 6.2585 6.4453 6.4453 6.5166 6.5166 6.9815 6.9815 7.3948 7.3948 7.7173 7.7173 8.9579 8.9579 9.4835 9.4835 11.4645 11.4645 11.6381 11.6381 11.7909 11.7909 11.9569 11.9569 13.0144 13.0144 k = 0.0000 0.0000 0.0000 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8335 -11.8335 -11.4568 -11.4568 -11.4548 -11.4548 -0.8849 -0.8849 1.7829 1.7829 3.8418 3.8418 4.2696 4.2696 4.3254 4.3254 4.7837 4.7837 5.6707 5.6707 6.2585 6.2585 6.4453 6.4453 6.5166 6.5166 6.9815 6.9815 7.3948 7.3948 7.7173 7.7173 8.9579 8.9579 9.4835 9.4835 11.4645 11.4645 11.6381 11.6381 11.7909 11.7909 11.9569 11.9569 13.0144 13.0144 k = 0.0161 0.0099 0.0000 ( 3557 PWs) bands (ev): -30.5740 -30.5740 -11.8335 -11.8335 -11.4568 -11.4568 -11.4548 -11.4548 -0.8836 -0.8836 1.7801 1.7801 3.8425 3.8425 4.2697 4.2697 4.3255 4.3255 4.7839 4.7839 5.6686 5.6686 6.2582 6.2582 6.4424 6.4424 6.5160 6.5160 6.9814 6.9814 7.4013 7.4013 7.7191 7.7191 8.9566 8.9566 9.4811 9.4811 11.4439 11.4439 11.6613 11.6613 11.7959 11.7959 11.9623 11.9623 13.0140 13.0140 k = 0.0323 0.0198 0.0000 ( 3565 PWs) bands (ev): -30.5740 -30.5740 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8797 -0.8797 1.7720 1.7720 3.8446 3.8446 4.2701 4.2701 4.3256 4.3256 4.7843 4.7843 5.6621 5.6621 6.2575 6.2575 6.4339 6.4339 6.5141 6.5141 6.9811 6.9811 7.4200 7.4200 7.7250 7.7250 8.9526 8.9526 9.4738 9.4738 11.3999 11.3999 11.7130 11.7130 11.8109 11.8109 11.9788 11.9788 13.0128 13.0128 k = 0.0484 0.0296-0.0000 ( 3565 PWs) bands (ev): -30.5740 -30.5740 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8733 -0.8733 1.7584 1.7584 3.8480 3.8480 4.2707 4.2707 4.3257 4.3257 4.7849 4.7849 5.6516 5.6516 6.2563 6.2563 6.4210 6.4210 6.5109 6.5109 6.9805 6.9805 7.4484 7.4484 7.7363 7.7363 8.9462 8.9462 9.4619 9.4619 11.3499 11.3499 11.7749 11.7749 11.8355 11.8355 12.0069 12.0069 13.0108 13.0108 k = 0.0645 0.0395 0.0000 ( 3565 PWs) bands (ev): -30.5740 -30.5740 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8642 -0.8642 1.7397 1.7397 3.8526 3.8526 4.2715 4.2715 4.3260 4.3260 4.7858 4.7858 5.6370 5.6370 6.2547 6.2547 6.4049 6.4049 6.5066 6.5066 6.9797 6.9797 7.4827 7.4827 7.7555 7.7555 8.9373 8.9373 9.4458 9.4458 11.2997 11.2997 11.8400 11.8400 11.8695 11.8695 12.0476 12.0476 13.0082 13.0082 k = 0.0806 0.0494 0.0000 ( 3549 PWs) bands (ev): -30.5739 -30.5739 -11.8336 -11.8336 -11.4569 -11.4569 -11.4549 -11.4549 -0.8525 -0.8525 1.7160 1.7160 3.8583 3.8583 4.2725 4.2725 4.3263 4.3263 4.7870 4.7870 5.6186 5.6186 6.2526 6.2526 6.3870 6.3870 6.5012 6.5012 6.9786 6.9786 7.5173 7.5173 7.7862 7.7862 8.9264 8.9264 9.4260 9.4260 11.2512 11.2512 11.9050 11.9050 11.9126 11.9126 12.1018 12.1018 13.0049 13.0049 k = 0.0968 0.0593 0.0000 ( 3553 PWs) bands (ev): -30.5739 -30.5739 -11.8336 -11.8336 -11.4570 -11.4570 -11.4550 -11.4550 -0.8383 -0.8383 1.6875 1.6875 3.8648 3.8648 4.2738 4.2738 4.3267 4.3267 4.7884 4.7884 5.5968 5.5968 6.2501 6.2501 6.3685 6.3685 6.4948 6.4948 6.9773 6.9773 7.5473 7.5473 7.8321 7.8321 8.9135 8.9135 9.4029 9.4029 11.2051 11.2051 11.9626 11.9626 11.9704 11.9704 12.1691 12.1691 13.0011 13.0011 k = 0.1129 0.0691 0.0000 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8337 -11.8337 -11.4571 -11.4571 -11.4550 -11.4550 -0.8215 -0.8215 1.6545 1.6545 3.8721 3.8721 4.2752 4.2752 4.3271 4.3271 4.7900 4.7900 5.5719 5.5719 6.2471 6.2471 6.3504 6.3504 6.4873 6.4873 6.9758 6.9758 7.5700 7.5700 7.8947 7.8947 8.8989 8.8989 9.3772 9.3772 11.1617 11.1617 12.0212 12.0212 12.0348 12.0348 12.2482 12.2482 12.9968 12.9968 k = 0.1290 0.0790 0.0000 ( 3565 PWs) bands (ev): -30.5739 -30.5739 -11.8338 -11.8338 -11.4572 -11.4572 -11.4551 -11.4551 -0.8023 -0.8023 1.6174 1.6174 3.8798 3.8798 4.2769 4.2769 4.3276 4.3276 4.7919 4.7919 5.5444 5.5444 6.2437 6.2437 6.3331 6.3331 6.4791 6.4791 6.9741 6.9741 7.5856 7.5856 7.9724 7.9724 8.8830 8.8830 9.3494 9.3494 11.1212 11.1212 12.0865 12.0865 12.1009 12.1009 12.3368 12.3368 12.9923 12.9923 k = 0.1452 0.0889 0.0000 ( 3573 PWs) bands (ev): -30.5739 -30.5739 -11.8338 -11.8338 -11.4573 -11.4573 -11.4551 -11.4551 -0.7805 -0.7805 1.5764 1.5764 3.8878 3.8878 4.2787 4.2787 4.3281 4.3281 4.7940 4.7940 5.5149 5.5149 6.2399 6.2399 6.3171 6.3171 6.4701 6.4701 6.9722 6.9722 7.5960 7.5960 8.0626 8.0626 8.8661 8.8661 9.3200 9.3200 11.0834 11.0834 12.1578 12.1578 12.1698 12.1698 12.4332 12.4332 12.9876 12.9876 k = 0.1613 0.0988 0.0000 ( 3577 PWs) bands (ev): -30.5739 -30.5739 -11.8339 -11.8339 -11.4574 -11.4574 -11.4552 -11.4552 -0.7563 -0.7563 1.5318 1.5318 3.8960 3.8960 4.2807 4.2807 4.3286 4.3286 4.7964 4.7964 5.4838 5.4838 6.2357 6.2357 6.3026 6.3026 6.4604 6.4604 6.9701 6.9701 7.6029 7.6029 8.1630 8.1630 8.8485 8.8485 9.2897 9.2897 11.0483 11.0483 12.2345 12.2345 12.2425 12.2425 12.5358 12.5358 12.9830 12.9830 k = 0.1774 0.1087 0.0000 ( 3573 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4575 -11.4575 -11.4552 -11.4552 -0.7297 -0.7297 1.4840 1.4840 3.9041 3.9041 4.2829 4.2829 4.3292 4.3292 4.7990 4.7990 5.4517 5.4517 6.2312 6.2312 6.2894 6.2894 6.4502 6.4502 6.9678 6.9678 7.6075 7.6075 8.2716 8.2716 8.8303 8.8303 9.2589 9.2589 11.0158 11.0158 12.3153 12.3153 12.3198 12.3198 12.6438 12.6438 12.9786 12.9786 k = 0.1935 0.1185 0.0000 ( 3561 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4576 -11.4576 -11.4552 -11.4552 -0.7006 -0.7006 1.4332 1.4332 3.9119 3.9119 4.2852 4.2852 4.3298 4.3298 4.8018 4.8018 5.4191 5.4191 6.2264 6.2264 6.2776 6.2776 6.4396 6.4396 6.9654 6.9654 7.6106 7.6106 8.3873 8.3873 8.8120 8.8120 9.2281 9.2281 10.9858 10.9858 12.3984 12.3984 12.4029 12.4029 12.7564 12.7564 12.9748 12.9748 k = 0.2097 0.1284 0.0000 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4577 -11.4577 -11.4552 -11.4552 -0.6693 -0.6693 1.3798 1.3798 3.9194 3.9194 4.2876 4.2876 4.3304 4.3304 4.8048 4.8048 5.3864 5.3864 6.2214 6.2214 6.2671 6.2671 6.4287 6.4287 6.9628 6.9628 7.6127 7.6127 8.5091 8.5091 8.7938 8.7938 9.1978 9.1978 10.9582 10.9582 12.4839 12.4839 12.4905 12.4905 12.8731 12.8731 12.9722 12.9722 k = 0.2258 0.1383 0.0000 ( 3537 PWs) bands (ev): -30.5739 -30.5739 -11.8340 -11.8340 -11.4578 -11.4578 -11.4552 -11.4552 -0.6356 -0.6356 1.3241 1.3241 3.9264 3.9264 4.2902 4.2902 4.3310 4.3310 4.8081 4.8081 5.3540 5.3540 6.2162 6.2162 6.2577 6.2577 6.4176 6.4176 6.9601 6.9601 7.6140 7.6140 8.6361 8.6361 8.7758 8.7758 9.1685 9.1685 10.9328 10.9328 12.5729 12.5729 12.5797 12.5797 12.9718 12.9718 12.9935 12.9935 k = 0.2419 0.1482 0.0000 ( 3545 PWs) bands (ev): -30.5739 -30.5739 -11.8341 -11.8341 -11.4580 -11.4580 -11.4552 -11.4552 -0.5997 -0.5997 1.2663 1.2663 3.9328 3.9328 4.2928 4.2928 4.3315 4.3315 4.8115 4.8115 5.3223 5.3223 6.2109 6.2109 6.2493 6.2493 6.4065 6.4065 6.9573 6.9573 7.6148 7.6148 8.7582 8.7582 8.7671 8.7671 9.1413 9.1413 10.9096 10.9096 12.6647 12.6647 12.6684 12.6684 12.9756 12.9756 13.1170 13.1170 k = 0.2581 0.1580 0.0000 ( 3553 PWs) bands (ev): -30.5739 -30.5739 -11.8342 -11.8342 -11.4582 -11.4582 -11.4552 -11.4552 -0.5615 -0.5615 1.2067 1.2067 3.9385 3.9385 4.2954 4.2954 4.3321 4.3321 4.8150 4.8150 5.2916 5.2916 6.2055 6.2055 6.2417 6.2417 6.3953 6.3953 6.9545 6.9545 7.6152 7.6152 8.7413 8.7413 8.8990 8.8990 9.1190 9.1190 10.8884 10.8884 12.7475 12.7475 12.7626 12.7626 12.9885 12.9885 13.2433 13.2433 k = 0.2742 0.1679-0.0000 ( 3545 PWs) bands (ev): -30.5739 -30.5739 -11.8343 -11.8343 -11.4583 -11.4583 -11.4552 -11.4552 -0.5213 -0.5213 1.1455 1.1455 3.9435 3.9435 4.2981 4.2981 4.3326 4.3326 4.8188 4.8188 5.2621 5.2621 6.2001 6.2001 6.2349 6.2349 6.3842 6.3842 6.9517 6.9517 7.6154 7.6154 8.7252 8.7252 9.0110 9.0110 9.1224 9.1224 10.8691 10.8691 12.8113 12.8113 12.8616 12.8616 13.0197 13.0197 13.3721 13.3721 k = 0.2903 0.1778 0.0000 ( 3537 PWs) bands (ev): -30.5739 -30.5739 -11.8343 -11.8343 -11.4584 -11.4584 -11.4552 -11.4552 -0.4789 -0.4789 1.0830 1.0830 3.9478 3.9478 4.3008 4.3008 4.3331 4.3331 4.8226 4.8226 5.2341 5.2341 6.1948 6.1948 6.2288 6.2288 6.3733 6.3733 6.9489 6.9489 7.6154 7.6154 8.7100 8.7100 9.0333 9.0333 9.2211 9.2211 10.8515 10.8515 12.8491 12.8491 12.9634 12.9634 13.0766 13.0766 13.5028 13.5028 k = 0.3065 0.1877-0.0000 ( 3533 PWs) bands (ev): -30.5739 -30.5739 -11.8344 -11.8344 -11.4586 -11.4586 -11.4552 -11.4552 -0.4346 -0.4346 1.0194 1.0194 3.9514 3.9514 4.3035 4.3035 4.3335 4.3335 4.8266 4.8266 5.2077 5.2077 6.1897 6.1897 6.2233 6.2233 6.3626 6.3626 6.9462 6.9462 7.6153 7.6153 8.6957 8.6957 9.0176 9.0176 9.3633 9.3633 10.8357 10.8357 12.8661 12.8661 13.0673 13.0673 13.1513 13.1513 13.6349 13.6349 k = 0.3226 0.1976-0.0000 ( 3541 PWs) bands (ev): -30.5739 -30.5739 -11.8345 -11.8345 -11.4588 -11.4588 -11.4552 -11.4552 -0.3883 -0.3883 0.9549 0.9549 3.9543 3.9543 4.3061 4.3061 4.3338 4.3338 4.8307 4.8307 5.1830 5.1830 6.1848 6.1848 6.2183 6.2183 6.3524 6.3524 6.9435 6.9435 7.6151 7.6151 8.6825 8.6825 8.9979 8.9979 9.5148 9.5148 10.8214 10.8214 12.8725 12.8725 13.1725 13.1725 13.2260 13.2260 13.6866 13.6866 k = 0.3387 0.2074 0.0000 ( 3541 PWs) bands (ev): -30.5739 -30.5739 -11.8345 -11.8345 -11.4589 -11.4589 -11.4552 -11.4552 -0.3401 -0.3401 0.8898 0.8898 3.9565 3.9565 4.3087 4.3087 4.3341 4.3341 4.8349 4.8349 5.1601 5.1601 6.1802 6.1802 6.2138 6.2138 6.3425 6.3425 6.9410 6.9410 7.6149 7.6149 8.6704 8.6704 8.9785 8.9785 9.6711 9.6711 10.8087 10.8087 12.8740 12.8740 13.2662 13.2662 13.2785 13.2785 13.5763 13.5763 k = 0.3548 0.2173-0.0000 ( 3537 PWs) bands (ev): -30.5739 -30.5739 -11.8346 -11.8346 -11.4590 -11.4590 -11.4552 -11.4552 -0.2902 -0.2902 0.8241 0.8241 3.9582 3.9582 4.3112 4.3112 4.3343 4.3343 4.8391 4.8391 5.1391 5.1391 6.1759 6.1759 6.2097 6.2097 6.3333 6.3333 6.9386 6.9386 7.6146 7.6146 8.6594 8.6594 8.9603 8.9603 9.8310 9.8310 10.7974 10.7974 12.8731 12.8731 13.2051 13.2051 13.3837 13.3837 13.5617 13.5617 k = 0.3710 0.2272 0.0000 ( 3533 PWs) bands (ev): -30.5739 -30.5739 -11.8346 -11.8346 -11.4591 -11.4591 -11.4552 -11.4552 -0.2385 -0.2385 0.7582 0.7582 3.9593 3.9593 4.3137 4.3137 4.3344 4.3344 4.8432 4.8432 5.1200 5.1200 6.1720 6.1720 6.2061 6.2061 6.3247 6.3247 6.9364 6.9364 7.6143 7.6143 8.6496 8.6496 8.9437 8.9437 9.9936 9.9936 10.7875 10.7875 12.8703 12.8703 13.0630 13.0630 13.4873 13.4873 13.6228 13.6228 k = 0.3871 0.2371-0.0000 ( 3549 PWs) bands (ev): -30.5739 -30.5739 -11.8347 -11.8347 -11.4593 -11.4593 -11.4553 -11.4553 -0.1852 -0.1852 0.6922 0.6922 3.9601 3.9601 4.3160 4.3160 4.3343 4.3343 4.8472 4.8472 5.1030 5.1030 6.1686 6.1686 6.2029 6.2029 6.3168 6.3168 6.9344 6.9344 7.6140 7.6140 8.6409 8.6409 8.9288 8.9288 10.1583 10.1583 10.7789 10.7789 12.8557 12.8557 12.9067 12.9067 13.5874 13.5874 13.7035 13.7035 k = 0.4032 0.2469 0.0000 ( 3557 PWs) bands (ev): -30.5739 -30.5739 -11.8348 -11.8348 -11.4595 -11.4595 -11.4553 -11.4553 -0.1305 -0.1305 0.6262 0.6262 3.9605 3.9605 4.3181 4.3181 4.3342 4.3342 4.8511 4.8511 5.0880 5.0880 6.1656 6.1656 6.2001 6.2001 6.3097 6.3097 6.9326 6.9326 7.6138 7.6138 8.6334 8.6334 8.9159 8.9159 10.3241 10.3241 10.7715 10.7715 12.7109 12.7109 12.8728 12.8728 13.6819 13.6819 13.7859 13.7859 k = 0.4194 0.2568 0.0000 ( 3561 PWs) bands (ev): -30.5739 -30.5739 -11.8348 -11.8348 -11.4596 -11.4596 -11.4553 -11.4553 -0.0745 -0.0745 0.5605 0.5605 3.9607 3.9607 4.3201 4.3201 4.3339 4.3339 4.8547 4.8547 5.0750 5.0750 6.1630 6.1630 6.1977 6.1977 6.3035 6.3035 6.9311 6.9311 7.6135 7.6135 8.6271 8.6271 8.9049 8.9049 10.4898 10.4898 10.7654 10.7654 12.5347 12.5347 12.8690 12.8690 13.7681 13.7681 13.8633 13.8633 k = 0.4355 0.2667 0.0000 ( 3560 PWs) bands (ev): -30.5739 -30.5739 -11.8348 -11.8348 -11.4596 -11.4596 -11.4553 -11.4553 -0.0173 -0.0173 0.4955 0.4955 3.9607 3.9607 4.3220 4.3220 4.3336 4.3336 4.8579 4.8579 5.0643 5.0643 6.1609 6.1609 6.1958 6.1958 6.2983 6.2983 6.9298 6.9298 7.6133 7.6133 8.6220 8.6220 8.8958 8.8958 10.6531 10.6531 10.7604 10.7604 12.3603 12.3603 12.8668 12.8668 13.8431 13.8431 13.9314 13.9316 k = 0.4516 0.2766 0.0000 ( 3556 PWs) bands (ev): -30.5739 -30.5739 -11.8349 -11.8349 -11.4597 -11.4597 -11.4553 -11.4553 0.0405 0.0405 0.4314 0.4314 3.9606 3.9606 4.3236 4.3236 4.3331 4.3331 4.8606 4.8606 5.0557 5.0557 6.1593 6.1593 6.1943 6.1943 6.2942 6.2942 6.9288 6.9288 7.6132 7.6132 8.6180 8.6180 8.8888 8.8888 10.7565 10.7565 10.8099 10.8099 12.1941 12.1941 12.8651 12.8651 13.9038 13.9038 13.9269 13.9269 k = 0.4677 0.2865 0.0000 ( 3548 PWs) bands (ev): -30.5739 -30.5739 -11.8348 -11.8348 -11.4597 -11.4597 -11.4552 -11.4552 0.0982 0.0982 0.3693 0.3693 3.9605 3.9605 4.3249 4.3249 4.3327 4.3327 4.8626 4.8626 5.0496 5.0496 6.1582 6.1582 6.1932 6.1932 6.2912 6.2912 6.9280 6.9280 7.6131 7.6131 8.6151 8.6151 8.8837 8.8837 10.7538 10.7538 10.9514 10.9514 12.0453 12.0453 12.8640 12.8640 13.9243 13.9243 13.9493 13.9493 k = 0.4839 0.2963 0.0000 ( 3548 PWs) bands (ev): -30.5739 -30.5739 -11.8349 -11.8349 -11.4597 -11.4597 -11.4552 -11.4552 0.1522 0.1522 0.3126 0.3126 3.9604 3.9604 4.3258 4.3258 4.3323 4.3323 4.8639 4.8639 5.0458 5.0458 6.1575 6.1575 6.1925 6.1925 6.2893 6.2893 6.9276 6.9276 7.6130 7.6130 8.6134 8.6134 8.8807 8.8807 10.7522 10.7522 11.0595 11.0595 11.9327 11.9327 12.8633 12.8633 13.9233 13.9233 13.9763 13.9763 k = 0.5000 0.3062 0.0000 ( 3520 PWs) bands (ev): -30.5738 -30.5738 -11.8348 -11.8348 -11.4597 -11.4597 -11.4552 -11.4552 0.1826 0.1826 0.2813 0.2813 3.9604 3.9604 4.3261 4.3261 4.3322 4.3322 4.8644 4.8644 5.0446 5.0446 6.1573 6.1573 6.1923 6.1923 6.2887 6.2887 6.9275 6.9275 7.6130 7.6130 8.6129 8.6129 8.8797 8.8797 10.7517 10.7517 11.1025 11.1025 11.8882 11.8882 12.8630 12.8630 13.9230 13.9230 13.9855 13.9855 k = 0.5000 0.3062 0.0000 ( 3520 PWs) bands (ev): -30.5738 -30.5738 -11.8348 -11.8348 -11.4597 -11.4597 -11.4552 -11.4552 0.1826 0.1826 0.2813 0.2813 3.9604 3.9604 4.3261 4.3261 4.3322 4.3322 4.8644 4.8644 5.0446 5.0446 6.1573 6.1573 6.1923 6.1923 6.2887 6.2887 6.9275 6.9275 7.6130 7.6130 8.6129 8.6129 8.8797 8.8797 10.7517 10.7517 11.1025 11.1025 11.8882 11.8882 12.8630 12.8630 13.9230 13.9230 13.9855 13.9855 k = 0.4930 0.3176 0.0134 ( 3542 PWs) bands (ev): -30.5738 -30.5738 -11.8349 -11.8349 -11.4597 -11.4597 -11.4553 -11.4553 0.1840 0.1840 0.2817 0.2817 3.9613 3.9613 4.3225 4.3225 4.3365 4.3365 4.8645 4.8645 5.0450 5.0450 6.1561 6.1561 6.1919 6.1919 6.2893 6.2893 6.9259 6.9259 7.6080 7.6080 8.6097 8.6097 8.8734 8.8734 10.7626 10.7626 11.1044 11.1044 11.8860 11.8860 12.8682 12.8682 13.9211 13.9211 13.9816 13.9816 k = 0.4860 0.3291 0.0268 ( 3550 PWs) bands (ev): -30.5738 -30.5738 -11.8349 -11.8349 -11.4598 -11.4598 -11.4553 -11.4553 0.1882 0.1882 0.2829 0.2829 3.9640 3.9640 4.3177 4.3177 4.3436 4.3436 4.8649 4.8649 5.0465 5.0465 6.1526 6.1526 6.1905 6.1905 6.2908 6.2908 6.9211 6.9211 7.5934 7.5934 8.5963 8.5963 8.8599 8.8599 10.7932 10.7932 11.1108 11.1108 11.8794 11.8794 12.8839 12.8839 13.9152 13.9152 13.9684 13.9684 k = 0.4790 0.3405 0.0402 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8350 -11.8350 -11.4598 -11.4598 -11.4554 -11.4554 0.1953 0.1953 0.2850 0.2850 3.9684 3.9684 4.3134 4.3134 4.3516 4.3516 4.8656 4.8656 5.0488 5.0488 6.1469 6.1469 6.1884 6.1884 6.2932 6.2932 6.9132 6.9132 7.5701 7.5701 8.5620 8.5620 8.8521 8.8521 10.8375 10.8375 11.1237 11.1237 11.8683 11.8683 12.9101 12.9101 13.9027 13.9027 13.9440 13.9440 k = 0.4720 0.3520 0.0536 ( 3553 PWs) bands (ev): -30.5738 -30.5738 -11.8351 -11.8351 -11.4598 -11.4598 -11.4556 -11.4556 0.2052 0.2052 0.2877 0.2877 3.9745 3.9745 4.3098 4.3098 4.3605 4.3605 4.8667 4.8667 5.0520 5.0520 6.1391 6.1391 6.1857 6.1857 6.2961 6.2961 6.9020 6.9020 7.5395 7.5395 8.4999 8.4999 8.8607 8.8607 10.8858 10.8858 11.1475 11.1475 11.8526 11.8526 12.9471 12.9471 13.8731 13.8731 13.9191 13.9191 k = 0.4650 0.3634 0.0671 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8351 -11.8351 -11.4599 -11.4599 -11.4557 -11.4557 0.2178 0.2178 0.2913 0.2913 3.9824 3.9824 4.3070 4.3070 4.3701 4.3701 4.8681 4.8681 5.0561 5.0561 6.1294 6.1294 6.1822 6.1822 6.2993 6.2993 6.8875 6.8875 7.5029 7.5029 8.4128 8.4128 8.8861 8.8861 10.9273 10.9273 11.1874 11.1874 11.8321 11.8321 12.9951 12.9951 13.8217 13.8217 13.9028 13.9028 k = 0.4580 0.3748 0.0805 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8353 -11.8353 -11.4600 -11.4600 -11.4559 -11.4559 0.2332 0.2332 0.2955 0.2955 3.9920 3.9920 4.3050 4.3050 4.3804 4.3804 4.8700 4.8700 5.0609 5.0609 6.1179 6.1179 6.1781 6.1781 6.3024 6.3024 6.8696 6.8696 7.4620 7.4620 8.3084 8.3084 8.9237 8.9237 10.9549 10.9549 11.2453 11.2453 11.8066 11.8066 13.0542 13.0542 13.7591 13.7591 13.8895 13.8895 k = 0.4510 0.3863 0.0939 ( 3549 PWs) bands (ev): -30.5738 -30.5738 -11.8354 -11.8354 -11.4601 -11.4601 -11.4561 -11.4561 0.2514 0.2514 0.3004 0.3004 4.0032 4.0032 4.3038 4.3038 4.3914 4.3914 4.8723 4.8723 5.0665 5.0665 6.1048 6.1048 6.1732 6.1732 6.3054 6.3054 6.8481 6.8481 7.4179 7.4179 8.1928 8.1928 8.9696 8.9696 10.9693 10.9693 11.3163 11.3163 11.7760 11.7760 13.1240 13.1240 13.6916 13.6916 13.8762 13.8762 k = 0.4440 0.3977 0.1073 ( 3553 PWs) bands (ev): -30.5738 -30.5738 -11.8356 -11.8356 -11.4603 -11.4603 -11.4563 -11.4563 0.2721 0.2721 0.3059 0.3059 4.0159 4.0159 4.3033 4.3033 4.4031 4.4031 4.8752 4.8752 5.0729 5.0729 6.0902 6.0902 6.1676 6.1676 6.3080 6.3080 6.8229 6.8229 7.3717 7.3717 8.0708 8.0708 9.0211 9.0211 10.9739 10.9739 11.3929 11.3929 11.7406 11.7406 13.2040 13.2040 13.6224 13.6224 13.8465 13.8466 k = 0.4370 0.4091 0.1207 ( 3549 PWs) bands (ev): -30.5737 -30.5737 -11.8357 -11.8357 -11.4605 -11.4605 -11.4564 -11.4564 0.2952 0.2952 0.3123 0.3123 4.0302 4.0302 4.3036 4.3036 4.4154 4.4154 4.8786 4.8786 5.0799 5.0799 6.0739 6.0739 6.1611 6.1611 6.3102 6.3102 6.7939 6.7939 7.3246 7.3246 7.9455 7.9455 9.0764 9.0764 10.9715 10.9715 11.4683 11.4683 11.7016 11.7016 13.2926 13.2926 13.5541 13.5541 13.7685 13.7685 k = 0.4300 0.4206 0.1341 ( 3559 PWs) bands (ev): -30.5737 -30.5737 -11.8360 -11.8360 -11.4609 -11.4609 -11.4565 -11.4565 0.3156 0.3156 0.3244 0.3244 4.0459 4.0459 4.3047 4.3047 4.4284 4.4284 4.8826 4.8826 5.0875 5.0875 6.0559 6.0559 6.1536 6.1536 6.3118 6.3118 6.7611 6.7611 7.2771 7.2771 7.8196 7.8196 9.1342 9.1342 10.9636 10.9636 11.5326 11.5326 11.6653 11.6653 13.3870 13.3870 13.4884 13.4884 13.6885 13.6885 k = 0.4230 0.4320 0.1475 ( 3557 PWs) bands (ev): -30.5737 -30.5737 -11.8362 -11.8362 -11.4613 -11.4613 -11.4566 -11.4566 0.3239 0.3239 0.3514 0.3514 4.0630 4.0630 4.3066 4.3066 4.4420 4.4420 4.8872 4.8872 5.0957 5.0957 6.0360 6.0360 6.1451 6.1451 6.3129 6.3129 6.7244 6.7244 7.2298 7.2298 7.6952 7.6952 9.1938 9.1938 10.9506 10.9506 11.5506 11.5506 11.6652 11.6652 13.4265 13.4265 13.4791 13.4791 13.6187 13.6187 k = 0.4160 0.4434 0.1609 ( 3553 PWs) bands (ev): -30.5736 -30.5736 -11.8364 -11.8364 -11.4617 -11.4617 -11.4566 -11.4566 0.3310 0.3310 0.3824 0.3824 4.0814 4.0814 4.3093 4.3093 4.4562 4.4562 4.8924 4.8924 5.1045 5.1045 6.0138 6.0138 6.1354 6.1354 6.3134 6.3134 6.6840 6.6840 7.1833 7.1833 7.5739 7.5739 9.2542 9.2542 10.9329 10.9329 11.5086 11.5086 11.7143 11.7143 13.3700 13.3700 13.5092 13.5092 13.6151 13.6151 k = 0.4089 0.4549 0.1743 ( 3553 PWs) bands (ev): -30.5736 -30.5736 -11.8366 -11.8366 -11.4623 -11.4623 -11.4566 -11.4566 0.3381 0.3381 0.4159 0.4159 4.1009 4.1009 4.3128 4.3128 4.4709 4.4709 4.8982 4.8982 5.1139 5.1139 5.9888 5.9888 6.1246 6.1246 6.3132 6.3132 6.6401 6.6401 7.1378 7.1378 7.4572 7.4572 9.3151 9.3151 10.9102 10.9102 11.4469 11.4469 11.7723 11.7723 13.3192 13.3192 13.4578 13.4578 13.6893 13.6893 k = 0.4019 0.4663 0.1878 ( 3555 PWs) bands (ev): -30.5736 -30.5736 -11.8369 -11.8369 -11.4629 -11.4629 -11.4565 -11.4565 0.3451 0.3451 0.4518 0.4518 4.1216 4.1216 4.3171 4.3171 4.4862 4.4862 4.9046 4.9046 5.1238 5.1238 5.9604 5.9604 6.1125 6.1125 6.3124 6.3124 6.5933 6.5933 7.0935 7.0935 7.3466 7.3466 9.3760 9.3760 10.8826 10.8826 11.3767 11.3767 11.8286 11.8286 13.2747 13.2747 13.4030 13.4030 13.7496 13.7496 k = 0.3949 0.4778 0.2012 ( 3551 PWs) bands (ev): -30.5735 -30.5735 -11.8372 -11.8372 -11.4635 -11.4635 -11.4564 -11.4564 0.3519 0.3519 0.4900 0.4900 4.1433 4.1433 4.3223 4.3223 4.5019 4.5019 4.9114 4.9114 5.1342 5.1342 5.9279 5.9279 6.0993 6.0993 6.3108 6.3108 6.5443 6.5443 7.0504 7.0504 7.2432 7.2432 9.4365 9.4365 10.8499 10.8499 11.3004 11.3004 11.8818 11.8818 13.2367 13.2367 13.3548 13.3548 13.7842 13.7842 k = 0.3879 0.4892 0.2146 ( 3555 PWs) bands (ev): -30.5735 -30.5735 -11.8374 -11.8374 -11.4642 -11.4642 -11.4563 -11.4563 0.3585 0.3585 0.5303 0.5303 4.1658 4.1658 4.3282 4.3282 4.5181 4.5181 4.9187 4.9187 5.1453 5.1453 5.8902 5.8902 6.0851 6.0851 6.3083 6.3083 6.4942 6.4942 7.0084 7.0084 7.1479 7.1479 9.4963 9.4963 10.8122 10.8122 11.2191 11.2191 11.9318 11.9318 13.2045 13.2045 13.3147 13.3147 13.8049 13.8049 k = 0.3809 0.5006 0.2280 ( 3559 PWs) bands (ev): -30.5735 -30.5735 -11.8377 -11.8377 -11.4648 -11.4648 -11.4562 -11.4562 0.3646 0.3646 0.5727 0.5727 4.1891 4.1891 4.3351 4.3351 4.5346 4.5346 4.9261 4.9261 5.1568 5.1568 5.8468 5.8468 6.0700 6.0700 6.3045 6.3045 6.4447 6.4447 6.9673 6.9673 7.0615 7.0615 9.5553 9.5553 10.7697 10.7697 11.1335 11.1335 11.9792 11.9792 13.1769 13.1769 13.2840 13.2840 13.8193 13.8193 k = 0.3739 0.5121 0.2414 ( 3561 PWs) bands (ev): -30.5734 -30.5734 -11.8380 -11.8380 -11.4655 -11.4655 -11.4560 -11.4560 0.3701 0.3701 0.6171 0.6171 4.2131 4.2131 4.3427 4.3427 4.5513 4.5513 4.9337 4.9337 5.1689 5.1689 5.7972 5.7972 6.0542 6.0542 6.2988 6.2988 6.3977 6.3977 6.9262 6.9262 6.9850 6.9850 9.6131 9.6131 10.7227 10.7227 11.0444 11.0444 12.0246 12.0246 13.1524 13.1524 13.2636 13.2636 13.8153 13.8153 k = 0.3669 0.5235 0.2548 ( 3567 PWs) bands (ev): -30.5734 -30.5734 -11.8383 -11.8383 -11.4662 -11.4662 -11.4559 -11.4559 0.3748 0.3748 0.6632 0.6632 4.2375 4.2375 4.3513 4.3513 4.5682 4.5682 4.9412 4.9412 5.1813 5.1813 5.7416 5.7416 6.0376 6.0376 6.2888 6.2888 6.3564 6.3564 6.8821 6.8821 6.9213 6.9213 9.6697 9.6697 10.6718 10.6718 10.9523 10.9523 12.0685 12.0685 13.1297 13.1297 13.2537 13.2537 13.7685 13.7685 k = 0.3599 0.5349 0.2682 ( 3567 PWs) bands (ev): -30.5734 -30.5734 -11.8386 -11.8386 -11.4669 -11.4669 -11.4557 -11.4557 0.3786 0.3786 0.7110 0.7110 4.2623 4.2623 4.3609 4.3609 4.5850 4.5850 4.9484 4.9484 5.1938 5.1938 5.6808 5.6808 6.0202 6.0202 6.2704 6.2704 6.3262 6.3262 6.8314 6.8314 6.8736 6.8736 9.7249 9.7249 10.6175 10.6175 10.8577 10.8577 12.1115 12.1115 13.1084 13.1084 13.2534 13.2534 13.7034 13.7034 k = 0.3529 0.5464 0.2816 ( 3567 PWs) bands (ev): -30.5733 -30.5733 -11.8389 -11.8389 -11.4676 -11.4676 -11.4556 -11.4556 0.3813 0.3813 0.7603 0.7603 4.2873 4.2873 4.3715 4.3715 4.6017 4.6017 4.9550 4.9550 5.2058 5.2058 5.6169 5.6169 6.0015 6.0015 6.2429 6.2429 6.3081 6.3081 6.7790 6.7790 6.8368 6.8368 9.7787 9.7787 10.5604 10.5604 10.7613 10.7613 12.1542 12.1542 13.0885 13.0885 13.2604 13.2604 13.6332 13.6332 k = 0.3459 0.5578 0.2950 ( 3569 PWs) bands (ev): -30.5733 -30.5733 -11.8391 -11.8391 -11.4683 -11.4683 -11.4554 -11.4554 0.3828 0.3828 0.8109 0.8109 4.3121 4.3121 4.3832 4.3832 4.6180 4.6180 4.9606 4.9606 5.2162 5.2162 5.5526 5.5526 5.9811 5.9811 6.2136 6.2136 6.2955 6.2955 6.7296 6.7296 6.8056 6.8056 9.8309 9.8309 10.5013 10.5013 10.6635 10.6635 12.1970 12.1970 13.0702 13.0702 13.2711 13.2711 13.5631 13.5631 k = 0.3389 0.5693 0.3085 ( 3575 PWs) bands (ev): -30.5733 -30.5733 -11.8394 -11.8394 -11.4689 -11.4689 -11.4553 -11.4553 0.3827 0.3827 0.8628 0.8628 4.3363 4.3363 4.3964 4.3964 4.6337 4.6337 4.9646 4.9646 5.2226 5.2226 5.4927 5.4927 5.9583 5.9583 6.1874 6.1874 6.2839 6.2839 6.6842 6.6842 6.7787 6.7787 9.8815 9.8815 10.4406 10.4406 10.5650 10.5650 12.2401 12.2401 13.0536 13.0536 13.2782 13.2782 13.5005 13.5005 k = 0.3319 0.5807 0.3219 ( 3571 PWs) bands (ev): -30.5732 -30.5732 -11.8396 -11.8396 -11.4695 -11.4695 -11.4551 -11.4551 0.3811 0.3811 0.9155 0.9155 4.3595 4.3595 4.4115 4.4115 4.6483 4.6483 4.9658 4.9658 5.2205 5.2205 5.4441 5.4441 5.9329 5.9329 6.1661 6.1661 6.2716 6.2716 6.6421 6.6421 6.7562 6.7562 9.9305 9.9305 10.3783 10.3783 10.4668 10.4668 12.2838 12.2838 13.0387 13.0387 13.2660 13.2660 13.4606 13.4606 k = 0.3249 0.5921 0.3353 ( 3569 PWs) bands (ev): -30.5732 -30.5732 -11.8399 -11.8399 -11.4701 -11.4701 -11.4549 -11.4549 0.3776 0.3776 0.9691 0.9691 4.3809 4.3809 4.4290 4.4290 4.6617 4.6617 4.9626 4.9626 5.2054 5.2054 5.4148 5.4148 5.9046 5.9046 6.1504 6.1504 6.2580 6.2580 6.6026 6.6026 6.7384 6.7384 9.9777 9.9777 10.3131 10.3131 10.3714 10.3714 12.3280 12.3280 13.0254 13.0254 13.2207 13.2207 13.4572 13.4572 k = 0.3179 0.6036 0.3487 ( 3577 PWs) bands (ev): -30.5732 -30.5732 -11.8401 -11.8401 -11.4707 -11.4707 -11.4548 -11.4548 0.3722 0.3722 1.0232 1.0232 4.4001 4.4001 4.4491 4.4491 4.6734 4.6734 4.9517 4.9517 5.1798 5.1798 5.4066 5.4066 5.8741 5.8741 6.1400 6.1400 6.2434 6.2434 6.5652 6.5652 6.7256 6.7256 10.0226 10.0226 10.2376 10.2376 10.2877 10.2877 12.3727 12.3727 13.0129 13.0129 13.1528 13.1528 13.4802 13.4802 k = 0.3109 0.6150 0.3621 ( 3565 PWs) bands (ev): -30.5731 -30.5731 -11.8403 -11.8403 -11.4712 -11.4712 -11.4546 -11.4546 0.3648 0.3648 1.0776 1.0776 4.4170 4.4170 4.4714 4.4714 4.6827 4.6827 4.9300 4.9300 5.1546 5.1546 5.4133 5.4133 5.8421 5.8421 6.1344 6.1344 6.2279 6.2279 6.5292 6.5292 6.7177 6.7177 10.0634 10.0634 10.1471 10.1471 10.2228 10.2228 12.4174 12.4174 12.9984 12.9984 13.0787 13.0787 13.5162 13.5162 k = 0.3039 0.6264 0.3755 ( 3565 PWs) bands (ev): -30.5731 -30.5731 -11.8405 -11.8405 -11.4716 -11.4716 -11.4545 -11.4545 0.3551 0.3551 1.1320 1.1320 4.4322 4.4322 4.4952 4.4952 4.6887 4.6887 4.8969 4.8969 5.1384 5.1384 5.4284 5.4284 5.8094 5.8094 6.1328 6.1328 6.2124 6.2124 6.4945 6.4945 6.7144 6.7144 10.0458 10.0458 10.0964 10.0964 10.1772 10.1772 12.4609 12.4609 12.9630 12.9630 13.0237 13.0237 13.5589 13.5589 k = 0.2969 0.6379 0.3889 ( 3563 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4720 -11.4720 -11.4544 -11.4544 0.3431 0.3431 1.1863 1.1863 4.4460 4.4460 4.5196 4.5196 4.6895 4.6895 4.8577 4.8577 5.1323 5.1323 5.4480 5.4480 5.7771 5.7771 6.1345 6.1345 6.1976 6.1976 6.4610 6.4610 6.7155 6.7155 9.9475 9.9475 10.0796 10.0796 10.1795 10.1795 12.5010 12.5010 12.8932 12.8932 13.0063 13.0063 13.6057 13.6057 k = 0.2969 0.6379 0.3889 ( 3563 PWs) bands (ev): -30.5731 -30.5731 -11.8406 -11.8406 -11.4720 -11.4720 -11.4544 -11.4544 0.3431 0.3431 1.1863 1.1863 4.4460 4.4460 4.5196 4.5196 4.6895 4.6895 4.8577 4.8577 5.1323 5.1323 5.4480 5.4480 5.7771 5.7771 6.1345 6.1345 6.1976 6.1976 6.4610 6.4610 6.7155 6.7155 9.9475 9.9475 10.0796 10.0796 10.1795 10.1795 12.5010 12.5010 12.8932 12.8932 13.0063 13.0063 13.6057 13.6057 k = 0.2794 0.6334 0.3942 ( 3569 PWs) bands (ev): -30.5731 -30.5731 -11.8407 -11.8407 -11.4722 -11.4722 -11.4543 -11.4543 0.3366 0.3366 1.2089 1.2089 4.4510 4.4510 4.5284 4.5284 4.6879 4.6879 4.8427 4.8427 5.1329 5.1329 5.4563 5.4563 5.7650 5.7650 6.1355 6.1355 6.1928 6.1928 6.4479 6.4479 6.7177 6.7177 9.8421 9.8421 10.1255 10.1255 10.1979 10.1979 12.5154 12.5154 12.8631 12.8631 13.0022 13.0022 13.6113 13.6113 k = 0.2620 0.6289 0.3995 ( 3565 PWs) bands (ev): -30.5731 -30.5731 -11.8408 -11.8408 -11.4723 -11.4723 -11.4543 -11.4543 0.3279 0.3279 1.2335 1.2335 4.4556 4.4556 4.5354 4.5354 4.6858 4.6858 4.8291 4.8291 5.1358 5.1358 5.4645 5.4645 5.7538 5.7538 6.1359 6.1359 6.1895 6.1895 6.4349 6.4349 6.7223 6.7223 9.7011 9.7011 10.1855 10.1855 10.2433 10.2433 12.5289 12.5289 12.8338 12.8338 12.9969 12.9969 13.5917 13.5917 k = 0.2445 0.6244 0.4048 ( 3557 PWs) bands (ev): -30.5731 -30.5731 -11.8408 -11.8408 -11.4724 -11.4724 -11.4542 -11.4542 0.3178 0.3178 1.2594 1.2594 4.4597 4.4597 4.5400 4.5400 4.6839 4.6839 4.8177 4.8177 5.1404 5.1404 5.4724 5.4724 5.7435 5.7435 6.1354 6.1354 6.1878 6.1878 6.4220 6.4220 6.7293 6.7293 9.5590 9.5590 10.2137 10.2137 10.3277 10.3277 12.5402 12.5402 12.8073 12.8073 12.9902 12.9902 13.5514 13.5514 k = 0.2270 0.6199 0.4100 ( 3558 PWs) bands (ev): -30.5730 -30.5730 -11.8408 -11.8408 -11.4725 -11.4725 -11.4541 -11.4541 0.3067 0.3067 1.2859 1.2859 4.4632 4.4632 4.5420 4.5420 4.6831 4.6831 4.8085 4.8085 5.1462 5.1462 5.4798 5.4798 5.7344 5.7344 6.1340 6.1340 6.1876 6.1876 6.4091 6.4091 6.7388 6.7388 9.4198 9.4198 10.2342 10.2342 10.4230 10.4230 12.5477 12.5477 12.7851 12.7851 12.9820 12.9820 13.4968 13.4968 k = 0.2096 0.6154 0.4153 ( 3558 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4726 -11.4726 -11.4541 -11.4541 0.2950 0.2950 1.3124 1.3124 4.4657 4.4657 4.5415 4.5415 4.6840 4.6840 4.8013 4.8013 5.1528 5.1528 5.4866 5.4866 5.7263 5.7263 6.1318 6.1318 6.1887 6.1887 6.3964 6.3964 6.7507 6.7507 9.2851 9.2851 10.2530 10.2530 10.5218 10.5218 12.5498 12.5498 12.7675 12.7675 12.9726 12.9726 13.4342 13.4342 k = 0.1921 0.6109 0.4206 ( 3557 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4727 -11.4727 -11.4540 -11.4540 0.2833 0.2833 1.3384 1.3384 4.4669 4.4669 4.5392 4.5392 4.6869 4.6869 4.7956 4.7956 5.1599 5.1599 5.4925 5.4925 5.7195 5.7195 6.1291 6.1291 6.1906 6.1906 6.3839 6.3839 6.7651 6.7651 9.1557 9.1557 10.2710 10.2710 10.6225 10.6225 12.5459 12.5459 12.7528 12.7528 12.9629 12.9629 13.3692 13.3692 k = 0.1746 0.6064 0.4259 ( 3556 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4728 -11.4728 -11.4540 -11.4540 0.2718 0.2718 1.3634 1.3634 4.4665 4.4665 4.5363 4.5363 4.6914 4.6914 4.7911 4.7911 5.1673 5.1673 5.4975 5.4975 5.7138 5.7138 6.1260 6.1260 6.1932 6.1932 6.3716 6.3716 6.7818 6.7818 9.0323 9.0323 10.2882 10.2882 10.7247 10.7247 12.5364 12.5364 12.7365 12.7365 12.9544 12.9544 13.3069 13.3069 k = 0.1572 0.6019 0.4312 ( 3564 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4729 -11.4729 -11.4539 -11.4539 0.2607 0.2607 1.3869 1.3869 4.4642 4.4642 4.5338 4.5338 4.6972 4.6972 4.7875 4.7875 5.1748 5.1748 5.5015 5.5015 5.7095 5.7095 6.1226 6.1226 6.1963 6.1963 6.3598 6.3598 6.8005 6.8005 8.9157 8.9157 10.3046 10.3046 10.8277 10.8277 12.5227 12.5227 12.7123 12.7123 12.9498 12.9498 13.2518 13.2518 k = 0.1397 0.5973 0.4364 ( 3566 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4730 -11.4730 -11.4539 -11.4539 0.2503 0.2503 1.4088 1.4088 4.4600 4.4600 4.5324 4.5324 4.7037 4.7037 4.7844 4.7844 5.1823 5.1823 5.5044 5.5044 5.7064 5.7064 6.1192 6.1192 6.1997 6.1997 6.3484 6.3484 6.8210 6.8210 8.8066 8.8066 10.3199 10.3199 10.9313 10.9313 12.5056 12.5056 12.6750 12.6750 12.9515 12.9515 13.2068 13.2068 k = 0.1222 0.5928 0.4417 ( 3564 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4731 -11.4731 -11.4539 -11.4539 0.2408 0.2408 1.4287 1.4287 4.4547 4.4547 4.5321 4.5321 4.7104 4.7104 4.7817 4.7817 5.1894 5.1894 5.5064 5.5064 5.7045 5.7045 6.1158 6.1158 6.2032 6.2032 6.3376 6.3376 6.8425 6.8425 8.7060 8.7060 10.3340 10.3340 11.0349 11.0349 12.4848 12.4848 12.6253 12.6253 12.9593 12.9593 13.1728 13.1728 k = 0.1048 0.5883 0.4470 ( 3563 PWs) bands (ev): -30.5730 -30.5730 -11.8410 -11.8410 -11.4731 -11.4731 -11.4538 -11.4538 0.2323 0.2323 1.4463 1.4463 4.4487 4.4487 4.5327 4.5327 4.7169 4.7169 4.7793 4.7793 5.1960 5.1960 5.5074 5.5074 5.7034 5.7034 6.1126 6.1126 6.2069 6.2069 6.3275 6.3275 6.8646 6.8646 8.6148 8.6148 10.3467 10.3467 11.1379 11.1379 12.4562 12.4562 12.5709 12.5709 12.9712 12.9712 13.1487 13.1487 k = 0.0873 0.5838 0.4523 ( 3571 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4732 -11.4732 -11.4538 -11.4538 0.2250 0.2250 1.4615 1.4615 4.4428 4.4428 4.5338 4.5338 4.7231 4.7231 4.7771 4.7771 5.2021 5.2021 5.5078 5.5078 5.7032 5.7032 6.1096 6.1096 6.2105 6.2105 6.3182 6.3182 6.8861 6.8861 8.5342 8.5342 10.3578 10.3578 11.2392 11.2392 12.4102 12.4102 12.5263 12.5263 12.9846 12.9846 13.1329 13.1329 k = 0.0699 0.5793 0.4576 ( 3573 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4538 -11.4538 0.2188 0.2188 1.4742 1.4742 4.4374 4.4374 4.5351 4.5351 4.7286 4.7286 4.7751 4.7751 5.2073 5.2073 5.5078 5.5078 5.7034 5.7034 6.1070 6.1070 6.2141 6.2141 6.3099 6.3099 6.9063 6.9063 8.4655 8.4655 10.3671 10.3671 11.3371 11.3371 12.3445 12.3445 12.4992 12.4992 12.9970 12.9970 13.1237 13.1237 k = 0.0524 0.5748 0.4629 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.2140 0.2140 1.4842 1.4842 4.4330 4.4330 4.5363 4.5363 4.7333 4.7333 4.7734 4.7734 5.2115 5.2115 5.5075 5.5075 5.7039 5.7039 6.1049 6.1049 6.2174 6.2174 6.3029 6.3029 6.9237 6.9237 8.4101 8.4101 10.3745 10.3745 11.4288 11.4288 12.2705 12.2705 12.4834 12.4834 13.0069 13.0069 13.1195 13.1195 k = 0.0349 0.5703 0.4681 ( 3572 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.2105 0.2105 1.4913 1.4913 4.4297 4.4297 4.5373 4.5373 4.7369 4.7369 4.7720 4.7720 5.2146 5.2146 5.5071 5.5071 5.7044 5.7044 6.1033 6.1033 6.2201 6.2201 6.2975 6.2975 6.9373 6.9373 8.3692 8.3692 10.3798 10.3798 11.5087 11.5087 12.2005 12.2005 12.4739 12.4739 13.0136 13.0136 13.1185 13.1185 k = 0.0175 0.5658 0.4734 ( 3569 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.2084 0.2084 1.4957 1.4957 4.4276 4.4276 4.5379 4.5379 4.7392 4.7392 4.7710 4.7710 5.2166 5.2166 5.5068 5.5068 5.7048 5.7048 6.1023 6.1023 6.2219 6.2219 6.2941 6.2941 6.9459 6.9459 8.3442 8.3442 10.3831 10.3831 11.5668 11.5668 12.1475 12.1475 12.4687 12.4687 13.0173 13.0173 13.1189 13.1189 k = 0.0000 0.5613 0.4787 ( 3562 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.2077 0.2077 1.4971 1.4971 4.4269 4.4269 4.5381 4.5381 4.7400 4.7400 4.7707 4.7707 5.2172 5.2172 5.5067 5.5067 5.7049 5.7049 6.1019 6.1019 6.2226 6.2226 6.2929 6.2929 6.9489 6.9489 8.3357 8.3357 10.3842 10.3842 11.5889 11.5889 12.1270 12.1270 12.4670 12.4670 13.0185 13.0185 13.1193 13.1193 k = 0.0000 0.5613 0.4787 ( 3562 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4537 -11.4537 0.2077 0.2077 1.4971 1.4971 4.4269 4.4269 4.5381 4.5381 4.7400 4.7400 4.7707 4.7707 5.2172 5.2172 5.5067 5.5067 5.7049 5.7049 6.1019 6.1019 6.2226 6.2226 6.2929 6.2929 6.9489 6.9489 8.3357 8.3357 10.3842 10.3842 11.5889 11.5889 12.1270 12.1270 12.4670 12.4670 13.0185 13.0185 13.1193 13.1193 k = 0.0069 0.5500 0.4920 ( 3570 PWs) bands (ev): -30.5730 -30.5730 -11.8411 -11.8411 -11.4733 -11.4733 -11.4538 -11.4538 0.2083 0.2083 1.4982 1.4982 4.4229 4.4229 4.5391 4.5391 4.7319 4.7319 4.7788 4.7788 5.2160 5.2160 5.5086 5.5086 5.7065 5.7065 6.1026 6.1026 6.2235 6.2235 6.2944 6.2944 6.9487 6.9487 8.3360 8.3360 10.3765 10.3765 11.5845 11.5845 12.1034 12.1034 12.4534 12.4534 13.0316 13.0316 13.1480 13.1480 k = 0.0139 0.5386 0.5053 ( 3570 PWs) bands (ev): -30.5730 -30.5730 -11.8412 -11.8412 -11.4733 -11.4733 -11.4538 -11.4538 0.2099 0.2099 1.5013 1.5013 4.4118 4.4118 4.5406 4.5406 4.7180 4.7180 4.7932 4.7932 5.2128 5.2128 5.5142 5.5142 5.7114 5.7114 6.1046 6.1046 6.2262 6.2262 6.2989 6.2989 6.9479 6.9479 8.3366 8.3366 10.3539 10.3539 11.5710 11.5710 12.0335 12.0335 12.4284 12.4284 13.0537 13.0537 13.2352 13.2352 k = 0.0208 0.5273 0.5186 ( 3566 PWs) bands (ev): -30.5730 -30.5730 -11.8412 -11.8412 -11.4733 -11.4733 -11.4539 -11.4539 0.2128 0.2128 1.5065 1.5065 4.3954 4.3954 4.5393 4.5393 4.7063 4.7063 4.8077 4.8077 5.2081 5.2081 5.5225 5.5225 5.7198 5.7198 6.1080 6.1080 6.2308 6.2308 6.3062 6.3062 6.9468 6.9468 8.3378 8.3378 10.3175 10.3175 11.5477 11.5477 11.9254 11.9254 12.4108 12.4108 13.0778 13.0778 13.3616 13.3616 k = 0.0278 0.5160 0.5319 ( 3562 PWs) bands (ev): -30.5730 -30.5730 -11.8412 -11.8412 -11.4733 -11.4733 -11.4541 -11.4541 0.2167 0.2167 1.5138 1.5138 4.3754 4.3754 4.5322 4.5322 4.6997 4.6997 4.8208 4.8208 5.2027 5.2027 5.5321 5.5321 5.7321 5.7321 6.1128 6.1128 6.2372 6.2372 6.3161 6.3161 6.9453 6.9453 8.3393 8.3393 10.2689 10.2689 11.5133 11.5133 11.7937 11.7937 12.4030 12.4030 13.1078 13.1078 13.5066 13.5066 k = 0.0347 0.5046 0.5452 ( 3568 PWs) bands (ev): -30.5730 -30.5730 -11.8413 -11.8413 -11.4733 -11.4733 -11.4543 -11.4543 0.2217 0.2217 1.5230 1.5230 4.3529 4.3529 4.5177 4.5177 4.6995 4.6995 4.8322 4.8322 5.1973 5.1973 5.5420 5.5420 5.7484 5.7484 6.1190 6.1190 6.2454 6.2454 6.3283 6.3283 6.9435 6.9435 8.3413 8.3413 10.2099 10.2099 11.4661 11.4661 11.6512 11.6512 12.4023 12.4023 13.1459 13.1459 13.6591 13.6591 k = 0.0417 0.4933 0.5585 ( 3570 PWs) bands (ev): -30.5730 -30.5730 -11.8414 -11.8414 -11.4733 -11.4733 -11.4545 -11.4545 0.2277 0.2277 1.5343 1.5343 4.3285 4.3285 4.4965 4.4965 4.7048 4.7048 4.8417 4.8417 5.1926 5.1926 5.5513 5.5513 5.7689 5.7689 6.1269 6.1269 6.2552 6.2552 6.3425 6.3425 6.9417 6.9417 8.3436 8.3436 10.1424 10.1424 11.4000 11.4000 11.5107 11.5107 12.4063 12.4063 13.1922 13.1922 13.8127 13.8127 k = 0.0486 0.4819 0.5718 ( 3570 PWs) bands (ev): -30.5729 -30.5729 -11.8415 -11.8415 -11.4733 -11.4733 -11.4548 -11.4548 0.2347 0.2347 1.5475 1.5475 4.3026 4.3026 4.4700 4.4700 4.7142 4.7142 4.8495 4.8495 5.1887 5.1887 5.5594 5.5594 5.7932 5.7932 6.1363 6.1363 6.2665 6.2665 6.3583 6.3583 6.9398 6.9398 8.3462 8.3462 10.0683 10.0683 11.2957 11.2957 11.3961 11.3961 12.4137 12.4137 13.2463 13.2463 13.9622 13.9622 k = 0.0556 0.4706 0.5851 ( 3576 PWs) bands (ev): -30.5729 -30.5729 -11.8417 -11.8417 -11.4733 -11.4733 -11.4551 -11.4551 0.2428 0.2428 1.5626 1.5626 4.2756 4.2756 4.4399 4.4399 4.7260 4.7260 4.8558 4.8558 5.1861 5.1861 5.5664 5.5664 5.8208 5.8208 6.1472 6.1472 6.2791 6.2791 6.3756 6.3756 6.9383 6.9383 8.3491 8.3491 9.9891 9.9891 11.1553 11.1553 11.3085 11.3085 12.4235 12.4235 13.3067 13.3067 14.0970 14.0971 k = 0.0625 0.4593 0.5984 ( 3574 PWs) bands (ev): -30.5729 -30.5729 -11.8418 -11.8418 -11.4733 -11.4733 -11.4554 -11.4554 0.2517 0.2517 1.5794 1.5794 4.2477 4.2477 4.4074 4.4074 4.7392 4.7392 4.8608 4.8608 5.1846 5.1846 5.5723 5.5723 5.8509 5.8509 6.1598 6.1598 6.2928 6.2928 6.3940 6.3940 6.9372 6.9372 8.3522 8.3522 9.9063 9.9063 11.0050 11.0050 11.2241 11.2241 12.4353 12.4353 13.3722 13.3722 14.1916 14.1916 k = 0.0694 0.4479 0.6117 ( 3582 PWs) bands (ev): -30.5729 -30.5729 -11.8419 -11.8419 -11.4734 -11.4734 -11.4558 -11.4558 0.2615 0.2615 1.5981 1.5981 4.2191 4.2191 4.3732 4.3732 4.7533 4.7533 4.8649 4.8649 5.1842 5.1842 5.5773 5.5773 5.8827 5.8827 6.1738 6.1738 6.3073 6.3073 6.4131 6.4131 6.9369 6.9369 8.3554 8.3554 9.8211 9.8211 10.8539 10.8539 11.1363 11.1363 12.4486 12.4486 13.4412 13.4412 14.2701 14.2701 k = 0.0764 0.4366 0.6250 ( 3578 PWs) bands (ev): -30.5728 -30.5728 -11.8421 -11.8421 -11.4734 -11.4734 -11.4561 -11.4561 0.2722 0.2722 1.6183 1.6183 4.1899 4.1899 4.3380 4.3380 4.7678 4.7678 4.8685 4.8685 5.1849 5.1849 5.5817 5.5817 5.9155 5.9155 6.1893 6.1893 6.3224 6.3224 6.4329 6.4329 6.9377 6.9377 8.3586 8.3586 9.7345 9.7345 10.7046 10.7046 11.0441 11.0441 12.4630 12.4630 13.5122 13.5122 14.3477 14.3477 k = 0.0833 0.4253 0.6383 ( 3582 PWs) bands (ev): -30.5728 -30.5728 -11.8423 -11.8423 -11.4735 -11.4735 -11.4565 -11.4565 0.2836 0.2836 1.6401 1.6401 4.1603 4.1603 4.3020 4.3020 4.7825 4.7825 4.8719 4.8719 5.1864 5.1864 5.5855 5.5855 5.9485 5.9485 6.2062 6.2062 6.3378 6.3378 6.4531 6.4531 6.9400 6.9400 8.3617 8.3617 9.6475 9.6475 10.5583 10.5583 10.9482 10.9482 12.4783 12.4783 13.5841 13.5841 14.4255 14.4255 k = 0.0903 0.4139 0.6516 ( 3576 PWs) bands (ev): -30.5728 -30.5728 -11.8424 -11.8424 -11.4735 -11.4735 -11.4568 -11.4568 0.2957 0.2957 1.6634 1.6634 4.1304 4.1304 4.2657 4.2657 4.7971 4.7971 4.8755 4.8755 5.1887 5.1887 5.5891 5.5891 5.9810 5.9810 6.2244 6.2244 6.3532 6.3532 6.4735 6.4735 6.9440 6.9440 8.3646 8.3646 9.5609 9.5609 10.4158 10.4158 10.8492 10.8492 12.4940 12.4940 13.6557 13.6557 14.5021 14.5021 k = 0.0972 0.4026 0.6648 ( 3578 PWs) bands (ev): -30.5727 -30.5727 -11.8426 -11.8426 -11.4736 -11.4736 -11.4572 -11.4572 0.3083 0.3083 1.6879 1.6879 4.1005 4.1005 4.2294 4.2294 4.8117 4.8117 4.8797 4.8797 5.1914 5.1914 5.5924 5.5924 6.0123 6.0123 6.2438 6.2438 6.3683 6.3683 6.4940 6.4940 6.9501 6.9501 8.3670 8.3670 9.4753 9.4753 10.2778 10.2778 10.7477 10.7477 12.5098 12.5098 13.7261 13.7261 14.5560 14.5561 k = 0.1042 0.3912 0.6781 ( 3580 PWs) bands (ev): -30.5727 -30.5727 -11.8428 -11.8428 -11.4737 -11.4737 -11.4576 -11.4576 0.3215 0.3215 1.7137 1.7137 4.0706 4.0706 4.1931 4.1931 4.8260 4.8260 4.8847 4.8847 5.1944 5.1944 5.5954 5.5954 6.0418 6.0418 6.2643 6.2643 6.3830 6.3830 6.5146 6.5146 6.9588 6.9588 8.3688 8.3688 9.3915 9.3915 10.1448 10.1448 10.6446 10.6446 12.5252 12.5252 13.7948 13.7948 14.5437 14.5437 k = 0.1111 0.3799 0.6914 ( 3576 PWs) bands (ev): -30.5727 -30.5727 -11.8430 -11.8430 -11.4738 -11.4738 -11.4579 -11.4579 0.3351 0.3351 1.7405 1.7405 4.0408 4.0408 4.1572 4.1572 4.8399 4.8399 4.8909 4.8909 5.1976 5.1976 5.5983 5.5983 6.0689 6.0689 6.2854 6.2854 6.3973 6.3973 6.5352 6.5352 6.9701 6.9701 8.3697 8.3697 9.3099 9.3099 10.0172 10.0172 10.5404 10.5404 12.5397 12.5397 13.8613 13.8613 14.5150 14.5150 k = 0.1181 0.3686 0.7047 ( 3578 PWs) bands (ev): -30.5726 -30.5726 -11.8432 -11.8432 -11.4740 -11.4740 -11.4582 -11.4582 0.3491 0.3491 1.7682 1.7682 4.0113 4.0113 4.1218 4.1218 4.8533 4.8533 4.8987 4.8987 5.2008 5.2008 5.6008 5.6008 6.0931 6.0931 6.3064 6.3064 6.4113 6.4113 6.5558 6.5558 6.9844 6.9844 8.3696 8.3696 9.2310 9.2310 9.8957 9.8957 10.4357 10.4357 12.5528 12.5528 13.9253 13.9253 14.4782 14.4782 k = 0.1250 0.3572 0.7180 ( 3574 PWs) bands (ev): -30.5726 -30.5726 -11.8434 -11.8434 -11.4741 -11.4741 -11.4585 -11.4585 0.3632 0.3632 1.7965 1.7965 3.9823 3.9823 4.0870 4.0870 4.8661 4.8661 4.9083 4.9083 5.2039 5.2039 5.6030 5.6030 6.1141 6.1141 6.3265 6.3265 6.4257 6.4257 6.5765 6.5765 7.0018 7.0018 8.3680 8.3680 9.1553 9.1553 9.7806 9.7806 10.3311 10.3311 12.5641 12.5641 13.9867 13.9867 14.4368 14.4368 k = 0.1319 0.3459 0.7313 ( 3574 PWs) bands (ev): -30.5725 -30.5725 -11.8436 -11.8436 -11.4743 -11.4743 -11.4588 -11.4588 0.3776 0.3776 1.8255 1.8255 3.9538 3.9538 4.0530 4.0530 4.8783 4.8783 4.9199 4.9199 5.2066 5.2066 5.6047 5.6047 6.1319 6.1319 6.3441 6.3441 6.4414 6.4414 6.5972 6.5972 7.0223 7.0223 8.3648 8.3648 9.0829 9.0829 9.6726 9.6726 10.2272 10.2272 12.5731 12.5731 14.0456 14.0456 14.3941 14.3941 k = 0.1389 0.3345 0.7446 ( 3574 PWs) bands (ev): -30.5725 -30.5725 -11.8439 -11.8439 -11.4745 -11.4745 -11.4591 -11.4591 0.3919 0.3919 1.8547 1.8547 3.9260 3.9260 4.0199 4.0199 4.8899 4.8899 4.9336 4.9336 5.2089 5.2089 5.6057 5.6057 6.1466 6.1466 6.3578 6.3578 6.4593 6.4593 6.6180 6.6180 7.0458 7.0458 8.3596 8.3596 9.0142 9.0142 9.5722 9.5722 10.1243 10.1243 12.5791 12.5791 14.1020 14.1020 14.3531 14.3531 k = 0.1458 0.3232 0.7579 ( 3568 PWs) bands (ev): -30.5725 -30.5725 -11.8440 -11.8440 -11.4748 -11.4748 -11.4593 -11.4593 0.4062 0.4062 1.8841 1.8841 3.8991 3.8991 3.9879 3.9879 4.9014 4.9014 4.9492 4.9492 5.2105 5.2105 5.6058 5.6058 6.1582 6.1582 6.3669 6.3669 6.4798 6.4798 6.6385 6.6385 7.0724 7.0724 8.3524 8.3524 8.9491 8.9491 9.4799 9.4799 10.0231 10.0231 12.5818 12.5818 14.1558 14.1558 14.3161 14.3161 k = 0.1528 0.3119 0.7712 ( 3572 PWs) bands (ev): -30.5724 -30.5724 -11.8443 -11.8443 -11.4750 -11.4750 -11.4595 -11.4595 0.4202 0.4202 1.9134 1.9134 3.8731 3.8731 3.9569 3.9569 4.9130 4.9130 4.9665 4.9665 5.2114 5.2114 5.6049 5.6049 6.1671 6.1671 6.3716 6.3716 6.5025 6.5025 6.6586 6.6586 7.1019 7.1019 8.3428 8.3428 8.8875 8.8875 9.3963 9.3963 9.9240 9.9240 12.5809 12.5809 14.2060 14.2060 14.2864 14.2864 k = 0.1597 0.3005 0.7845 ( 3576 PWs) bands (ev): -30.5724 -30.5724 -11.8445 -11.8445 -11.4753 -11.4753 -11.4597 -11.4597 0.4339 0.4339 1.9423 1.9423 3.8483 3.8483 3.9273 3.9273 4.9248 4.9248 4.9853 4.9853 5.2115 5.2115 5.6025 5.6025 6.1737 6.1737 6.3726 6.3726 6.5264 6.5264 6.6781 6.6781 7.1340 7.1340 8.3312 8.3312 8.8290 8.8290 9.3219 9.3219 9.8277 9.8277 12.5762 12.5762 14.2389 14.2389 14.2788 14.2788 k = 0.1667 0.2892 0.7978 ( 3574 PWs) bands (ev): -30.5724 -30.5724 -11.8447 -11.8447 -11.4756 -11.4756 -11.4598 -11.4598 0.4473 0.4473 1.9706 1.9706 3.8247 3.8247 3.8990 3.8990 4.9370 4.9370 5.0057 5.0057 5.2106 5.2106 5.5985 5.5985 6.1782 6.1782 6.3708 6.3708 6.5508 6.5508 6.6967 6.6967 7.1686 7.1686 8.3175 8.3175 8.7731 8.7731 9.2568 9.2568 9.7347 9.7347 12.5678 12.5678 14.2323 14.2323 14.3170 14.3170 k = 0.1736 0.2778 0.8111 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8449 -11.8449 -11.4758 -11.4758 -11.4599 -11.4599 0.4600 0.4600 1.9981 1.9981 3.8025 3.8025 3.8721 3.8721 4.9496 4.9496 5.0276 5.0276 5.2088 5.2088 5.5926 5.5926 6.1810 6.1810 6.3669 6.3669 6.5750 6.5750 6.7141 6.7141 7.2054 7.2054 8.3023 8.3023 8.7194 8.7194 9.2010 9.2010 9.6457 9.6457 12.5560 12.5560 14.2237 14.2237 14.3637 14.3637 k = 0.1806 0.2665 0.8244 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8450 -11.8450 -11.4761 -11.4761 -11.4600 -11.4600 0.4722 0.4722 2.0245 2.0245 3.7819 3.7819 3.8469 3.8469 4.9626 4.9626 5.0510 5.0510 5.2059 5.2059 5.5844 5.5844 6.1824 6.1824 6.3615 6.3615 6.5985 6.5985 6.7300 6.7300 7.2440 7.2440 8.2860 8.2860 8.6678 8.6678 9.1542 9.1542 9.5613 9.5613 12.5414 12.5414 14.2215 14.2215 14.4108 14.4108 k = 0.1875 0.2552 0.8377 ( 3576 PWs) bands (ev): -30.5723 -30.5723 -11.8452 -11.8452 -11.4764 -11.4764 -11.4601 -11.4601 0.4835 0.4835 2.0495 2.0495 3.7629 3.7629 3.8234 3.8234 4.9760 4.9760 5.0756 5.0756 5.2022 5.2022 5.5737 5.5737 6.1827 6.1827 6.3551 6.3551 6.6211 6.6211 6.7441 6.7441 7.2838 7.2838 8.2691 8.2691 8.6181 8.6181 9.1153 9.1153 9.4826 9.4826 12.5245 12.5245 14.2261 14.2262 14.4576 14.4576 k = 0.1944 0.2438 0.8510 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8454 -11.8454 -11.4766 -11.4766 -11.4602 -11.4602 0.4940 0.4940 2.0729 2.0729 3.7456 3.7456 3.8018 3.8018 4.9898 4.9898 5.1011 5.1011 5.1979 5.1979 5.5602 5.5602 6.1822 6.1822 6.3482 6.3482 6.6425 6.6425 6.7563 6.7563 7.3245 7.3245 8.2523 8.2523 8.5706 8.5706 9.0833 9.0833 9.4103 9.4103 12.5063 12.5063 14.2371 14.2371 14.5041 14.5041 k = 0.2014 0.2325 0.8643 ( 3574 PWs) bands (ev): -30.5722 -30.5722 -11.8455 -11.8455 -11.4768 -11.4768 -11.4602 -11.4602 0.5035 0.5035 2.0943 2.0943 3.7302 3.7302 3.7822 3.7822 5.0038 5.0038 5.1266 5.1266 5.1939 5.1939 5.5440 5.5440 6.1811 6.1811 6.3414 6.3414 6.6625 6.6625 6.7664 6.7664 7.3652 7.3652 8.2358 8.2358 8.5259 8.5259 9.0565 9.0565 9.3455 9.3455 12.4875 12.4875 14.2533 14.2533 14.5503 14.5503 k = 0.2083 0.2211 0.8776 ( 3582 PWs) bands (ev): -30.5722 -30.5722 -11.8456 -11.8456 -11.4771 -11.4771 -11.4603 -11.4603 0.5120 0.5120 2.1135 2.1135 3.7168 3.7168 3.7647 3.7647 5.0179 5.0179 5.1482 5.1482 5.1941 5.1941 5.5249 5.5249 6.1797 6.1797 6.3349 6.3349 6.6811 6.6811 6.7743 6.7743 7.4051 7.4051 8.2200 8.2200 8.4845 8.4845 9.0337 9.0337 9.2893 9.2893 12.4691 12.4691 14.2736 14.2736 14.5961 14.5961 k = 0.2153 0.2098 0.8909 ( 3580 PWs) bands (ev): -30.5722 -30.5722 -11.8457 -11.8457 -11.4772 -11.4772 -11.4603 -11.4603 0.5193 0.5193 2.1302 2.1302 3.7054 3.7054 3.7495 3.7495 5.0321 5.0321 5.1566 5.1566 5.2076 5.2076 5.5030 5.5030 6.1782 6.1782 6.3290 6.3290 6.6979 6.6979 6.7801 6.7801 7.4430 7.4430 8.2052 8.2052 8.4475 8.4475 9.0135 9.0135 9.2427 9.2427 12.4520 12.4520 14.2965 14.2965 14.6415 14.6415 k = 0.2222 0.1985 0.9042 ( 3576 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4774 -11.4774 -11.4603 -11.4603 0.5254 0.5254 2.1443 2.1443 3.6960 3.6960 3.7368 3.7368 5.0461 5.0461 5.1528 5.1528 5.2334 5.2334 5.4786 5.4786 6.1767 6.1767 6.3240 6.3240 6.7128 6.7128 6.7838 6.7838 7.4777 7.4777 8.1917 8.1917 8.4156 8.4156 8.9954 8.9954 9.2060 9.2060 12.4369 12.4369 14.3202 14.3202 14.6862 14.6862 k = 0.2292 0.1871 0.9175 ( 3578 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4775 -11.4775 -11.4603 -11.4603 0.5301 0.5301 2.1555 2.1555 3.6888 3.6888 3.7267 3.7267 5.0598 5.0598 5.1447 5.1447 5.2635 5.2635 5.4518 5.4518 6.1754 6.1754 6.3200 6.3200 6.7256 6.7256 6.7856 6.7856 7.5075 7.5075 8.1798 8.1798 8.3898 8.3898 8.9796 8.9796 9.1791 9.1791 12.4244 12.4244 14.3424 14.3424 14.7294 14.7294 k = 0.2361 0.1758 0.9308 ( 3570 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5336 0.5336 2.1636 2.1636 3.6836 3.6836 3.7193 3.7193 5.0726 5.0726 5.1352 5.1352 5.2951 5.2951 5.4232 5.4232 6.1744 6.1744 6.3171 6.3171 6.7357 6.7357 6.7859 6.7859 7.5306 7.5306 8.1702 8.1702 8.3709 8.3709 8.9670 8.9670 9.1611 9.1611 12.4151 12.4151 14.3608 14.3608 14.7693 14.7693 k = 0.2431 0.1644 0.9441 ( 3568 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5357 0.5357 2.1685 2.1685 3.6806 3.6806 3.7149 3.7149 5.0833 5.0833 5.1265 5.1265 5.3267 5.3267 5.3935 5.3935 6.1737 6.1737 6.3154 6.3154 6.7424 6.7424 6.7855 6.7855 7.5454 7.5454 8.1639 8.1639 8.3594 8.3594 8.9588 8.9588 9.1509 9.1509 12.4094 12.4094 14.3731 14.3731 14.8010 14.8010 k = 0.2500 0.1531 0.9574 ( 3572 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4776 -11.4776 -11.4603 -11.4603 0.5364 0.5364 2.1701 2.1701 3.6795 3.6795 3.7134 3.7134 5.0881 5.0881 5.1222 5.1222 5.3506 5.3506 5.3702 5.3702 6.1735 6.1735 6.3148 6.3148 6.7448 6.7448 6.7852 6.7852 7.5505 7.5505 8.1616 8.1616 8.3555 8.3555 8.9559 8.9559 9.1476 9.1476 12.4075 12.4075 14.3774 14.3774 14.8142 14.8142 k = 0.2500 0.1531 0.9574 ( 3572 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4776 -11.4776 -11.4603 -11.4603 0.5364 0.5364 2.1701 2.1701 3.6795 3.6795 3.7134 3.7134 5.0881 5.0881 5.1222 5.1222 5.3506 5.3506 5.3702 5.3702 6.1735 6.1735 6.3148 6.3148 6.7448 6.7448 6.7852 6.7852 7.5505 7.5505 8.1616 8.1616 8.3555 8.3555 8.9559 8.9559 9.1476 9.1476 12.4075 12.4075 14.3774 14.3774 14.8142 14.8142 k = 0.2632 0.1612 0.9479 ( 3566 PWs) bands (ev): -30.5721 -30.5721 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5363 0.5363 2.1697 2.1697 3.6796 3.6796 3.7140 3.7140 5.0868 5.0868 5.1234 5.1234 5.3415 5.3415 5.3791 5.3791 6.1741 6.1741 6.3153 6.3153 6.7444 6.7444 6.7853 6.7853 7.5482 7.5482 8.1615 8.1615 8.3567 8.3567 8.9427 8.9427 9.1637 9.1637 12.4107 12.4107 14.3759 14.3759 14.8116 14.8116 k = 0.2763 0.1692 0.9385 ( 3563 PWs) bands (ev): -30.5721 -30.5721 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5358 0.5358 2.1682 2.1682 3.6792 3.6792 3.7164 3.7164 5.0832 5.0832 5.1261 5.1261 5.3271 5.3271 5.3929 5.3929 6.1757 6.1757 6.3168 6.3168 6.7430 6.7430 6.7856 6.7856 7.5417 7.5417 8.1603 8.1603 8.3601 8.3601 8.9137 8.9137 9.2022 9.2022 12.4203 12.4203 14.3721 14.3721 14.8062 14.8063 k = 0.2895 0.1773 0.9290 ( 3565 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5352 0.5352 2.1656 2.1656 3.6788 3.6788 3.7203 3.7203 5.0782 5.0782 5.1296 5.1296 5.3128 5.3128 5.4065 5.4065 6.1782 6.1782 6.3190 6.3190 6.7407 6.7407 6.7861 6.7861 7.5316 7.5316 8.1576 8.1576 8.3654 8.3654 8.8806 8.8806 9.2519 9.2519 12.4359 12.4359 14.3671 14.3671 14.8005 14.8068 k = 0.3026 0.1853 0.9196 ( 3569 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5344 0.5344 2.1617 2.1617 3.6789 3.6789 3.7254 3.7254 5.0722 5.0722 5.1331 5.1331 5.2993 5.2993 5.4192 5.4192 6.1816 6.1816 6.3217 6.3217 6.7376 6.7376 6.7867 6.7867 7.5182 7.5182 8.1528 8.1528 8.3720 8.3720 8.8497 8.8497 9.3076 9.3076 12.4573 12.4573 14.3617 14.3617 14.7615 14.7615 k = 0.3158 0.1934 0.9101 ( 3575 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4775 -11.4775 -11.4603 -11.4603 0.5336 0.5336 2.1563 2.1563 3.6796 3.6796 3.7313 3.7313 5.0656 5.0656 5.1364 5.1364 5.2870 5.2870 5.4309 5.4309 6.1858 6.1858 6.3248 6.3248 6.7338 6.7338 6.7873 6.7873 7.5018 7.5018 8.1464 8.1464 8.3796 8.3796 8.8237 8.8237 9.3669 9.3669 12.4840 12.4840 14.3566 14.3566 14.6962 14.6962 k = 0.3289 0.2015 0.9007 ( 3575 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4775 -11.4775 -11.4603 -11.4603 0.5328 0.5328 2.1493 2.1493 3.6811 3.6811 3.7380 3.7380 5.0584 5.0584 5.1392 5.1392 5.2763 5.2763 5.4414 5.4414 6.1906 6.1906 6.3279 6.3279 6.7293 6.7293 6.7878 6.7878 7.4823 7.4823 8.1390 8.1390 8.3877 8.3877 8.8038 8.8038 9.4284 9.4284 12.5157 12.5157 14.3522 14.3522 14.6290 14.6290 k = 0.3421 0.2095 0.8912 ( 3579 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4774 -11.4774 -11.4603 -11.4603 0.5320 0.5320 2.1407 2.1407 3.6837 3.6837 3.7455 3.7455 5.0507 5.0507 5.1412 5.1412 5.2674 5.2674 5.4509 5.4509 6.1959 6.1959 6.3307 6.3307 6.7242 6.7242 6.7882 6.7882 7.4597 7.4597 8.1318 8.1318 8.3963 8.3963 8.7901 8.7901 9.4912 9.4912 12.5518 12.5518 14.3492 14.3492 14.5610 14.5610 k = 0.3553 0.2176 0.8818 ( 3578 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4774 -11.4774 -11.4603 -11.4603 0.5313 0.5313 2.1304 2.1304 3.6872 3.6872 3.7537 3.7537 5.0425 5.0425 5.1424 5.1424 5.2603 5.2603 5.4593 5.4593 6.2017 6.2017 6.3331 6.3331 6.7186 6.7186 6.7885 6.7885 7.4338 7.4338 8.1260 8.1260 8.4055 8.4055 8.7823 8.7823 9.5548 9.5548 12.5917 12.5917 14.3479 14.3479 14.4936 14.4936 k = 0.3684 0.2256 0.8723 ( 3587 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4773 -11.4773 -11.4604 -11.4604 0.5308 0.5308 2.1184 2.1184 3.6918 3.6918 3.7625 3.7625 5.0337 5.0337 5.1427 5.1427 5.2551 5.2551 5.4669 5.4669 6.2078 6.2078 6.3347 6.3347 6.7124 6.7124 6.7886 6.7886 7.4047 7.4047 8.1227 8.1227 8.4161 8.4161 8.7794 8.7794 9.6185 9.6185 12.6348 12.6348 14.3487 14.3487 14.4278 14.4278 k = 0.3816 0.2337 0.8629 ( 3591 PWs) bands (ev): -30.5722 -30.5722 -11.8458 -11.8458 -11.4772 -11.4772 -11.4604 -11.4604 0.5304 0.5304 2.1047 2.1047 3.6975 3.6975 3.7718 3.7718 5.0245 5.0245 5.1421 5.1421 5.2517 5.2517 5.4736 5.4736 6.2142 6.2142 6.3353 6.3353 6.7058 6.7058 6.7885 6.7885 7.3724 7.3724 8.1225 8.1225 8.4286 8.4286 8.7804 8.7804 9.6818 9.6818 12.6801 12.6801 14.3512 14.3512 14.3654 14.3654 k = 0.3947 0.2417 0.8534 ( 3594 PWs) bands (ev): -30.5722 -30.5722 -11.8457 -11.8457 -11.4771 -11.4771 -11.4604 -11.4604 0.5301 0.5301 2.0893 2.0893 3.7043 3.7043 3.7816 3.7816 5.0148 5.0148 5.1408 5.1408 5.2498 5.2498 5.4797 5.4797 6.2207 6.2207 6.3348 6.3348 6.6986 6.6986 6.7882 6.7882 7.3375 7.3375 8.1256 8.1256 8.4442 8.4442 8.7843 8.7843 9.7440 9.7440 12.7268 12.7268 14.3041 14.3041 14.3589 14.3589 k = 0.4079 0.2498 0.8440 ( 3586 PWs) bands (ev): -30.5722 -30.5722 -11.8456 -11.8456 -11.4770 -11.4770 -11.4604 -11.4604 0.5300 0.5300 2.0723 2.0723 3.7123 3.7123 3.7918 3.7918 5.0049 5.0049 5.1389 5.1389 5.2490 5.2490 5.4853 5.4853 6.2272 6.2272 6.3331 6.3331 6.6910 6.6910 6.7879 6.7879 7.3005 7.3005 8.1317 8.1317 8.4638 8.4638 8.7901 8.7901 9.8046 9.8046 12.7738 12.7738 14.2489 14.2489 14.3683 14.3683 k = 0.4211 0.2579 0.8345 ( 3583 PWs) bands (ev): -30.5722 -30.5722 -11.8456 -11.8456 -11.4769 -11.4769 -11.4604 -11.4604 0.5300 0.5300 2.0538 2.0538 3.7214 3.7214 3.8023 3.8023 4.9947 4.9947 5.1365 5.1365 5.2491 5.2491 5.4906 5.4906 6.2335 6.2335 6.3302 6.3302 6.6827 6.6827 6.7875 6.7875 7.2625 7.2625 8.1397 8.1397 8.4886 8.4886 8.7973 8.7973 9.8631 9.8631 12.8197 12.8197 14.1987 14.1987 14.3814 14.3814 k = 0.4342 0.2659 0.8251 ( 3583 PWs) bands (ev): -30.5722 -30.5722 -11.8455 -11.8455 -11.4767 -11.4767 -11.4604 -11.4604 0.5301 0.5301 2.0339 2.0339 3.7317 3.7317 3.8130 3.8130 4.9843 4.9843 5.1337 5.1337 5.2497 5.2497 5.4957 5.4957 6.2394 6.2394 6.3263 6.3263 6.6740 6.6740 6.7872 6.7872 7.2244 7.2244 8.1488 8.1488 8.5192 8.5192 8.8053 8.8053 9.9188 9.9188 12.8632 12.8632 14.1545 14.1545 14.3985 14.3985 k = 0.4474 0.2740 0.8156 ( 3579 PWs) bands (ev): -30.5722 -30.5722 -11.8454 -11.8454 -11.4766 -11.4766 -11.4604 -11.4604 0.5303 0.5303 2.0129 2.0129 3.7430 3.7430 3.8238 3.8238 4.9738 4.9738 5.1304 5.1304 5.2506 5.2506 5.5008 5.5008 6.2445 6.2445 6.3217 6.3217 6.6645 6.6645 6.7869 6.7869 7.1873 7.1873 8.1579 8.1579 8.5562 8.5562 8.8139 8.8139 9.9712 9.9712 12.9028 12.9028 14.1170 14.1170 14.4199 14.4199 k = 0.4605 0.2820 0.8062 ( 3584 PWs) bands (ev): -30.5723 -30.5723 -11.8454 -11.8454 -11.4765 -11.4765 -11.4604 -11.4604 0.5304 0.5304 1.9909 1.9909 3.7555 3.7555 3.8347 3.8347 4.9633 4.9633 5.1267 5.1267 5.2515 5.2515 5.5059 5.5059 6.2481 6.2481 6.3170 6.3170 6.6545 6.6545 6.7865 6.7865 7.1523 7.1523 8.1662 8.1662 8.5993 8.5993 8.8235 8.8235 10.0197 10.0197 12.9367 12.9367 14.0867 14.0867 14.4458 14.4458 k = 0.4737 0.2901 0.7967 ( 3586 PWs) bands (ev): -30.5723 -30.5723 -11.8453 -11.8453 -11.4763 -11.4763 -11.4604 -11.4604 0.5304 0.5304 1.9681 1.9681 3.7689 3.7689 3.8457 3.8457 4.9528 4.9528 5.1225 5.1225 5.2523 5.2523 5.5111 5.5111 6.2496 6.2496 6.3129 6.3129 6.6437 6.6437 6.7861 6.7861 7.1206 7.1206 8.1733 8.1733 8.6472 8.6472 8.8350 8.8350 10.0639 10.0639 12.9634 12.9634 14.0641 14.0641 14.4761 14.4761 k = 0.4868 0.2981 0.7873 ( 3576 PWs) bands (ev): -30.5723 -30.5723 -11.8452 -11.8452 -11.4761 -11.4761 -11.4603 -11.4603 0.5301 0.5301 1.9447 1.9447 3.7832 3.7832 3.8566 3.8566 4.9425 4.9425 5.1177 5.1177 5.2530 5.2530 5.5165 5.5165 6.2479 6.2479 6.3103 6.3103 6.6323 6.6323 6.7855 6.7855 7.0932 7.0932 8.1789 8.1789 8.6966 8.6966 8.8513 8.8513 10.1032 10.1032 12.9816 12.9816 14.0497 14.0497 14.5061 14.5063 k = 0.5000 0.3062 0.7779 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8451 -11.8451 -11.4760 -11.4760 -11.4604 -11.4604 0.5295 0.5295 1.9211 1.9211 3.7982 3.7982 3.8675 3.8675 4.9323 4.9323 5.1122 5.1122 5.2533 5.2533 5.5219 5.5219 6.2429 6.2429 6.3097 6.3097 6.6202 6.6202 6.7843 6.7843 7.0712 7.0712 8.1831 8.1831 8.7405 8.7405 8.8787 8.8787 10.1373 10.1373 12.9905 12.9905 14.0435 14.0435 14.5005 14.5005 k = 0.5000 0.3062 0.7779 ( 3580 PWs) bands (ev): -30.5723 -30.5723 -11.8451 -11.8451 -11.4760 -11.4760 -11.4604 -11.4604 0.5295 0.5295 1.9211 1.9211 3.7982 3.7982 3.8675 3.8675 4.9323 4.9323 5.1122 5.1122 5.2533 5.2533 5.5219 5.5219 6.2429 6.2429 6.3097 6.3097 6.6202 6.6202 6.7843 6.7843 7.0712 7.0712 8.1831 8.1831 8.7405 8.7405 8.8787 8.8787 10.1373 10.1373 12.9905 12.9905 14.0435 14.0435 14.5005 14.5005 k = 0.5000 0.3062 0.7589 ( 3572 PWs) bands (ev): -30.5723 -30.5723 -11.8449 -11.8449 -11.4756 -11.4756 -11.4603 -11.4603 0.5277 0.5277 1.8720 1.8720 3.8290 3.8290 3.8914 3.8914 4.9118 4.9118 5.0996 5.0996 5.2542 5.2542 5.5319 5.5319 6.2273 6.2273 6.3123 6.3123 6.5952 6.5952 6.7810 6.7810 7.0346 7.0346 8.1900 8.1900 8.8191 8.8191 8.9529 8.9529 10.2029 10.2029 12.9990 12.9990 14.0397 14.0397 14.4660 14.4660 k = 0.5000 0.3062 0.7399 ( 3572 PWs) bands (ev): -30.5724 -30.5724 -11.8447 -11.8447 -11.4752 -11.4752 -11.4603 -11.4603 0.5256 0.5256 1.8202 1.8202 3.8591 3.8591 3.9196 3.9196 4.8913 4.8913 5.0854 5.0854 5.2556 5.2556 5.5396 5.5396 6.2091 6.2091 6.3170 6.3170 6.5705 6.5705 6.7775 6.7775 7.0019 7.0019 8.1967 8.1967 8.9022 8.9022 9.0318 9.0318 10.2732 10.2732 13.0086 13.0086 14.0361 14.0361 14.4256 14.4256 k = 0.5000 0.3062 0.7209 ( 3584 PWs) bands (ev): -30.5724 -30.5724 -11.8445 -11.8445 -11.4748 -11.4748 -11.4603 -11.4603 0.5231 0.5231 1.7660 1.7660 3.8868 3.8868 3.9532 3.9532 4.8711 4.8711 5.0703 5.0703 5.2570 5.2570 5.5447 5.5447 6.1904 6.1904 6.3214 6.3214 6.5466 6.5466 6.7738 6.7738 6.9744 6.9744 8.2033 8.2033 8.9889 8.9889 9.1149 9.1149 10.3479 10.3479 13.0192 13.0192 14.0330 14.0330 14.3798 14.3798 k = 0.5000 0.3062 0.7020 ( 3584 PWs) bands (ev): -30.5724 -30.5724 -11.8443 -11.8443 -11.4744 -11.4744 -11.4603 -11.4603 0.5202 0.5202 1.7099 1.7099 3.9116 3.9116 3.9922 3.9922 4.8513 4.8513 5.0543 5.0543 5.2580 5.2580 5.5469 5.5469 6.1724 6.1724 6.3241 6.3241 6.5241 6.5241 6.7699 6.7699 6.9530 6.9530 8.2100 8.2100 9.0788 9.0788 9.2021 9.2021 10.4268 10.4268 13.0311 13.0311 14.0304 14.0304 14.3288 14.3288 k = 0.5000 0.3062 0.6830 ( 3574 PWs) bands (ev): -30.5725 -30.5725 -11.8440 -11.8440 -11.4739 -11.4739 -11.4603 -11.4603 0.5170 0.5170 1.6521 1.6521 3.9343 3.9343 4.0353 4.0353 4.8324 4.8324 5.0375 5.0375 5.2584 5.2584 5.5461 5.5461 6.1561 6.1561 6.3241 6.3241 6.5034 6.5034 6.7660 6.7660 6.9387 6.9387 8.2170 8.2170 9.1712 9.1712 9.2931 9.2931 10.5094 10.5094 13.0442 13.0442 14.0284 14.0284 14.2730 14.2730 k = 0.5000 0.3062 0.6640 ( 3578 PWs) bands (ev): -30.5725 -30.5725 -11.8437 -11.8437 -11.4734 -11.4734 -11.4603 -11.4603 0.5134 0.5134 1.5930 1.5930 3.9556 3.9556 4.0810 4.0810 4.8149 4.8149 5.0201 5.0201 5.2579 5.2579 5.5421 5.5421 6.1420 6.1420 6.3210 6.3210 6.4848 6.4848 6.7622 6.7622 6.9322 6.9322 8.2243 8.2243 9.2659 9.2659 9.3876 9.3876 10.5955 10.5955 13.0586 13.0586 14.0272 14.0272 14.2128 14.2128 k = 0.5000 0.3062 0.6450 ( 3582 PWs) bands (ev): -30.5726 -30.5726 -11.8435 -11.8435 -11.4729 -11.4729 -11.4603 -11.4603 0.5093 0.5093 1.5328 1.5328 3.9759 3.9759 4.1280 4.1280 4.7992 4.7992 5.0020 5.0020 5.2567 5.2567 5.5348 5.5348 6.1304 6.1304 6.3146 6.3146 6.4681 6.4681 6.7587 6.7587 6.9340 6.9340 8.2319 8.2319 9.3625 9.3625 9.4852 9.4852 10.6848 10.6848 13.0745 13.0745 14.0269 14.0269 14.1491 14.1491 k = 0.5000 0.3062 0.6261 ( 3578 PWs) bands (ev): -30.5726 -30.5726 -11.8432 -11.8432 -11.4723 -11.4723 -11.4603 -11.4603 0.5048 0.5048 1.4720 1.4720 3.9954 3.9954 4.1749 4.1749 4.7862 4.7862 4.9834 4.9834 5.2548 5.2548 5.5245 5.5245 6.1216 6.1216 6.3056 6.3056 6.4532 6.4532 6.7557 6.7557 6.9441 6.9441 8.2397 8.2397 9.4607 9.4607 9.5856 9.5856 10.7770 10.7770 13.0919 13.0919 14.0273 14.0273 14.0829 14.0829 k = 0.5000 0.3062 0.6071 ( 3576 PWs) bands (ev): -30.5727 -30.5727 -11.8429 -11.8429 -11.4717 -11.4717 -11.4603 -11.4603 0.4998 0.4998 1.4107 1.4107 4.0142 4.0142 4.2201 4.2201 4.7767 4.7767 4.9642 4.9642 5.2526 5.2526 5.5112 5.5112 6.1158 6.1158 6.2946 6.2946 6.4399 6.4399 6.7535 6.7535 6.9619 6.9619 8.2479 8.2479 9.5602 9.5602 9.6885 9.6885 10.8721 10.8721 13.1110 13.1110 14.0113 14.0113 14.0321 14.0321 k = 0.5000 0.3062 0.5881 ( 3576 PWs) bands (ev): -30.5727 -30.5727 -11.8426 -11.8426 -11.4711 -11.4711 -11.4602 -11.4602 0.4943 0.4943 1.3492 1.3492 4.0324 4.0324 4.2617 4.2617 4.7717 4.7717 4.9448 4.9448 5.2503 5.2503 5.4955 5.4955 6.1129 6.1129 6.2825 6.2825 6.4280 6.4280 6.7522 6.7522 6.9871 6.9871 8.2563 8.2563 9.6609 9.6609 9.7933 9.7933 10.9696 10.9696 13.1318 13.1318 13.9431 13.9431 14.0334 14.0334 k = 0.5000 0.3062 0.5692 ( 3568 PWs) bands (ev): -30.5728 -30.5728 -11.8422 -11.8422 -11.4705 -11.4705 -11.4602 -11.4602 0.4884 0.4884 1.2878 1.2878 4.0499 4.0499 4.2976 4.2976 4.7722 4.7722 4.9254 4.9254 5.2486 5.2486 5.4777 5.4777 6.1127 6.1127 6.2699 6.2699 6.4175 6.4175 6.7520 6.7520 7.0188 7.0188 8.2650 8.2650 9.7624 9.7624 9.8997 9.8997 11.0695 11.0695 13.1546 13.1546 13.8728 13.8728 14.0374 14.0374 k = 0.5000 0.3062 0.5502 ( 3556 PWs) bands (ev): -30.5728 -30.5728 -11.8419 -11.8419 -11.4698 -11.4698 -11.4601 -11.4601 0.4820 0.4820 1.2266 1.2266 4.0667 4.0667 4.3258 4.3258 4.7782 4.7782 4.9072 4.9072 5.2484 5.2484 5.4584 5.4584 6.1152 6.1152 6.2573 6.2573 6.4085 6.4085 6.7532 6.7532 7.0565 7.0565 8.2739 8.2739 9.8645 9.8645 10.0073 10.0073 11.1715 11.1715 13.1795 13.1795 13.8026 13.8026 14.0422 14.0422 k = 0.5000 0.3062 0.5312 ( 3556 PWs) bands (ev): -30.5728 -30.5728 -11.8415 -11.8415 -11.4692 -11.4692 -11.4601 -11.4601 0.4751 0.4751 1.1659 1.1659 4.0829 4.0829 4.3449 4.3449 4.7871 4.7871 4.8925 4.8925 5.2507 5.2507 5.4385 5.4385 6.1201 6.1201 6.2452 6.2452 6.4011 6.4011 6.7559 6.7559 7.0994 7.0994 8.2830 8.2830 9.9669 9.9669 10.1154 10.1154 11.2754 11.2754 13.2065 13.2065 13.7331 13.7331 14.0326 14.0326 k = 0.5000 0.3062 0.5122 ( 3556 PWs) bands (ev): -30.5729 -30.5729 -11.8412 -11.8412 -11.4686 -11.4686 -11.4600 -11.4600 0.4679 0.4679 1.1058 1.1058 4.0982 4.0982 4.3550 4.3550 4.7924 4.7924 4.8862 4.8862 5.2565 5.2565 5.4189 5.4189 6.1271 6.1271 6.2340 6.2340 6.3951 6.3951 6.7601 6.7601 7.1471 7.1471 8.2924 8.2924 10.0693 10.0693 10.2238 10.2238 11.3811 11.3811 13.2359 13.2359 13.6651 13.6651 13.9332 13.9332 k = 0.5000 0.3062 0.4933 ( 3552 PWs) bands (ev): -30.5730 -30.5730 -11.8409 -11.8409 -11.4679 -11.4679 -11.4600 -11.4600 0.4602 0.4602 1.0466 1.0466 4.1128 4.1128 4.3571 4.3571 4.7869 4.7869 4.8924 4.8924 5.2664 5.2664 5.4016 5.4016 6.1360 6.1360 6.2242 6.2242 6.3904 6.3904 6.7662 6.7662 7.1991 7.1991 8.3020 8.3020 10.1712 10.1712 10.3317 10.3317 11.4883 11.4883 13.2677 13.2677 13.5992 13.5992 13.8189 13.8189 k = 0.5000 0.3062 0.4743 ( 3556 PWs) bands (ev): -30.5730 -30.5730 -11.8405 -11.8405 -11.4672 -11.4672 -11.4600 -11.4600 0.4521 0.4521 0.9884 0.9884 4.1264 4.1264 4.3528 4.3528 4.7715 4.7715 4.9069 4.9069 5.2784 5.2784 5.3908 5.3908 6.1460 6.1460 6.2166 6.2166 6.3869 6.3869 6.7742 6.7742 7.2549 7.2549 8.3118 8.3118 10.2723 10.2723 10.4389 10.4389 11.5970 11.5970 13.3019 13.3019 13.5359 13.5359 13.6993 13.6993 k = 0.5000 0.3062 0.4553 ( 3558 PWs) bands (ev): -30.5731 -30.5731 -11.8402 -11.8402 -11.4666 -11.4666 -11.4599 -11.4599 0.4436 0.4436 0.9313 0.9313 4.1390 4.1390 4.3437 4.3437 4.7508 4.7508 4.9219 4.9219 5.2854 5.2854 5.3952 5.3952 6.1558 6.1558 6.2128 6.2128 6.3844 6.3844 6.7843 6.7843 7.3143 7.3143 8.3219 8.3219 10.3719 10.3719 10.5447 10.5447 11.7069 11.7069 13.3377 13.3377 13.4749 13.4749 13.5775 13.5775 k = 0.5000 0.3062 0.4364 ( 3556 PWs) bands (ev): -30.5731 -30.5731 -11.8398 -11.8398 -11.4659 -11.4659 -11.4598 -11.4598 0.4349 0.4349 0.8756 0.8756 4.1504 4.1504 4.3315 4.3315 4.7277 4.7277 4.9333 4.9333 5.2804 5.2804 5.4217 5.4217 6.1626 6.1626 6.2157 6.2157 6.3828 6.3828 6.7965 6.7965 7.3768 7.3768 8.3322 8.3322 10.4694 10.4694 10.6486 10.6486 11.8179 11.8179 13.3689 13.3689 13.4080 13.4080 13.4695 13.4695 k = 0.5000 0.3062 0.4174 ( 3560 PWs) bands (ev): -30.5732 -30.5732 -11.8395 -11.8395 -11.4653 -11.4653 -11.4598 -11.4598 0.4259 0.4259 0.8213 0.8213 4.1601 4.1601 4.3174 4.3174 4.7035 4.7035 4.9400 4.9400 5.2668 5.2668 5.4657 5.4657 6.1646 6.1646 6.2270 6.2270 6.3820 6.3820 6.8111 6.8111 7.4423 7.4423 8.3427 8.3427 10.5641 10.5641 10.7502 10.7502 11.9297 11.9297 13.2921 13.2921 13.3687 13.3687 13.4469 13.4469 k = 0.5000 0.3062 0.3984 ( 3564 PWs) bands (ev): -30.5732 -30.5732 -11.8392 -11.8392 -11.4646 -11.4646 -11.4597 -11.4597 0.4167 0.4167 0.7686 0.7686 4.1679 4.1679 4.3027 4.3027 4.6787 4.6787 4.9425 4.9425 5.2496 5.2496 5.5199 5.5199 6.1635 6.1635 6.2452 6.2452 6.3823 6.3823 6.8279 6.8279 7.5103 7.5103 8.3534 8.3534 10.6553 10.6553 10.8490 10.8490 12.0422 12.0422 13.1599 13.1599 13.3303 13.3303 13.4853 13.4853 k = 0.5000 0.3062 0.3794 ( 3570 PWs) bands (ev): -30.5733 -30.5733 -11.8389 -11.8389 -11.4640 -11.4640 -11.4597 -11.4597 0.4074 0.4074 0.7176 0.7176 4.1727 4.1727 4.2888 4.2888 4.6539 4.6539 4.9415 4.9415 5.2313 5.2313 5.5794 5.5794 6.1613 6.1613 6.2675 6.2675 6.3845 6.3845 6.8471 6.8471 7.5808 7.5808 8.3645 8.3645 10.7418 10.7418 10.9445 10.9445 12.1551 12.1551 13.0218 13.0218 13.2954 13.2954 13.5343 13.5343 k = 0.5000 0.3062 0.3605 ( 3566 PWs) bands (ev): -30.5733 -30.5733 -11.8385 -11.8385 -11.4634 -11.4634 -11.4596 -11.4596 0.3979 0.3979 0.6684 0.6684 4.1734 4.1734 4.2774 4.2774 4.6293 4.6293 4.9381 4.9381 5.2131 5.2131 5.6408 5.6408 6.1593 6.1593 6.2911 6.2911 6.3906 6.3906 6.8688 6.8688 7.6533 7.6533 8.3759 8.3759 10.8229 10.8229 11.0363 11.0363 12.2682 12.2682 12.8807 12.8807 13.2683 13.2683 13.5881 13.5881 k = 0.5000 0.3062 0.3415 ( 3570 PWs) bands (ev): -30.5734 -30.5734 -11.8382 -11.8382 -11.4628 -11.4628 -11.4595 -11.4595 0.3884 0.3884 0.6211 0.6211 4.1691 4.1691 4.2699 4.2699 4.6050 4.6050 4.9331 4.9331 5.1955 5.1955 5.7016 5.7016 6.1578 6.1578 6.3117 6.3117 6.4045 6.4045 6.8931 6.8931 7.7277 7.7277 8.3877 8.3877 10.8974 10.8974 11.1240 11.1240 12.3811 12.3811 12.7377 12.7377 13.2505 13.2505 13.6453 13.6453 k = 0.5000 0.3062 0.3225 ( 3578 PWs) bands (ev): -30.5734 -30.5734 -11.8379 -11.8379 -11.4623 -11.4623 -11.4593 -11.4593 0.3790 0.3790 0.5758 0.5758 4.1595 4.1595 4.2667 4.2667 4.5814 4.5814 4.9270 4.9270 5.1788 5.1788 5.7597 5.7597 6.1571 6.1571 6.3251 6.3251 6.4304 6.4304 6.9203 6.9203 7.8035 7.8035 8.3999 8.3999 10.9642 10.9642 11.2072 11.2072 12.4930 12.4930 12.5943 12.5943 13.2428 13.2428 13.7048 13.7048 k = 0.5000 0.3062 0.3036 ( 3578 PWs) bands (ev): -30.5735 -30.5735 -11.8376 -11.8376 -11.4618 -11.4618 -11.4592 -11.4592 0.3696 0.3696 0.5327 0.5327 4.1459 4.1459 4.2668 4.2668 4.5584 4.5584 4.9204 4.9204 5.1630 5.1630 5.8138 5.8138 6.1571 6.1571 6.3312 6.3312 6.4678 6.4678 6.9505 6.9505 7.8805 7.8805 8.4128 8.4128 11.0226 11.0226 11.2856 11.2856 12.4480 12.4480 12.6066 12.6066 13.2458 13.2458 13.7623 13.7623 k = 0.5000 0.3062 0.2846 ( 3572 PWs) bands (ev): -30.5735 -30.5735 -11.8373 -11.8373 -11.4614 -11.4614 -11.4590 -11.4590 0.3604 0.3604 0.4918 0.4918 4.1298 4.1298 4.2691 4.2691 4.5363 4.5363 4.9136 4.9136 5.1484 5.1484 5.8630 5.8630 6.1578 6.1578 6.3328 6.3328 6.5128 6.5128 6.9842 6.9842 7.9582 7.9582 8.4263 8.4263 11.0719 11.0719 11.3588 11.3588 12.3040 12.3040 12.7171 12.7171 13.2595 13.2595 13.7806 13.7806 k = 0.5000 0.3062 0.2656 ( 3572 PWs) bands (ev): -30.5736 -30.5736 -11.8370 -11.8370 -11.4610 -11.4610 -11.4587 -11.4587 0.3515 0.3515 0.4532 0.4532 4.1125 4.1125 4.2724 4.2724 4.5150 4.5150 4.9068 4.9068 5.1347 5.1347 5.9070 5.9070 6.1592 6.1592 6.3320 6.3320 6.5621 6.5621 7.0219 7.0219 8.0362 8.0362 8.4408 8.4408 11.1115 11.1115 11.4265 11.4265 12.1607 12.1607 12.8263 12.8263 13.2826 13.2826 13.7320 13.7320 k = 0.5000 0.3062 0.2466 ( 3558 PWs) bands (ev): -30.5736 -30.5736 -11.8367 -11.8367 -11.4607 -11.4607 -11.4584 -11.4584 0.3428 0.3428 0.4169 0.4169 4.0948 4.0948 4.2762 4.2762 4.4948 4.4948 4.9003 4.9003 5.1222 5.1222 5.9460 5.9460 6.1612 6.1612 6.3299 6.3299 6.6126 6.6126 7.0641 7.0641 8.1139 8.1139 8.4565 8.4565 11.1417 11.1417 11.4882 11.4882 12.0195 12.0195 12.9334 12.9334 13.3121 13.3121 13.6732 13.6732 k = 0.5000 0.3062 0.2277 ( 3562 PWs) bands (ev): -30.5736 -30.5736 -11.8365 -11.8365 -11.4605 -11.4605 -11.4580 -11.4580 0.3344 0.3344 0.3831 0.3831 4.0772 4.0772 4.2800 4.2800 4.4756 4.4756 4.8942 4.8942 5.1107 5.1107 5.9803 5.9803 6.1636 6.1636 6.3271 6.3271 6.6620 6.6620 7.1111 7.1111 8.1906 8.1906 8.4737 8.4737 11.1626 11.1626 11.5421 11.5421 11.8827 11.8827 13.0369 13.0369 13.3401 13.3401 13.6230 13.6230 k = 0.5000 0.3062 0.2087 ( 3562 PWs) bands (ev): -30.5737 -30.5737 -11.8362 -11.8362 -11.4603 -11.4603 -11.4577 -11.4577 0.3262 0.3262 0.3520 0.3520 4.0603 4.0603 4.2838 4.2838 4.4574 4.4574 4.8887 4.8887 5.1001 5.1001 6.0104 6.0104 6.1663 6.1663 6.3237 6.3237 6.7082 6.7082 7.1626 7.1626 8.2651 8.2651 8.4933 8.4933 11.1751 11.1751 11.5802 11.5802 11.7592 11.7592 13.1323 13.1323 13.3538 13.3538 13.6004 13.6004 k = 0.5000 0.3062 0.1897 ( 3554 PWs) bands (ev): -30.5737 -30.5737 -11.8360 -11.8360 -11.4602 -11.4602 -11.4573 -11.4573 0.3168 0.3168 0.3251 0.3251 4.0442 4.0442 4.2875 4.2875 4.4403 4.4403 4.8837 4.8837 5.0906 5.0906 6.0369 6.0369 6.1692 6.1692 6.3200 6.3200 6.7501 6.7501 7.2180 7.2180 8.3356 8.3356 8.5165 8.5165 11.1801 11.1801 11.5535 11.5535 11.6991 11.6991 13.1997 13.1997 13.3605 13.3605 13.6183 13.6183 k = 0.5000 0.3062 0.1707 ( 3554 PWs) bands (ev): -30.5737 -30.5737 -11.8358 -11.8358 -11.4601 -11.4601 -11.4569 -11.4569 0.2954 0.2954 0.3133 0.3133 4.0291 4.0291 4.2910 4.2910 4.4244 4.4244 4.8794 4.8794 5.0819 5.0819 6.0602 6.0602 6.1722 6.1722 6.3160 6.3160 6.7870 6.7870 7.2759 7.2759 8.3994 8.3994 8.5454 8.5454 11.1789 11.1789 11.4470 11.4470 11.7184 11.7184 13.1976 13.1976 13.4122 13.4122 13.6647 13.6647 k = 0.5000 0.3062 0.1518 ( 3562 PWs) bands (ev): -30.5738 -30.5738 -11.8356 -11.8356 -11.4600 -11.4600 -11.4566 -11.4566 0.2722 0.2722 0.3066 0.3066 4.0153 4.0153 4.2944 4.2944 4.4096 4.4096 4.8757 4.8757 5.0742 5.0742 6.0807 6.0807 6.1753 6.1753 6.3120 6.3120 6.8188 6.8188 7.3345 7.3345 8.4527 8.4527 8.5829 8.5829 11.1724 11.1724 11.3286 11.3286 11.7507 11.7507 13.1507 13.1507 13.4990 13.4990 13.7226 13.7226 k = 0.5000 0.3062 0.1328 ( 3558 PWs) bands (ev): -30.5738 -30.5738 -11.8354 -11.8354 -11.4599 -11.4599 -11.4563 -11.4563 0.2514 0.2514 0.3008 0.3008 4.0028 4.0028 4.2978 4.2978 4.3959 4.3959 4.8727 4.8727 5.0673 5.0673 6.0986 6.0986 6.1783 6.1783 6.3079 6.3079 6.8459 6.8459 7.3916 7.3916 8.4938 8.4938 8.6298 8.6298 11.1601 11.1601 11.2157 11.2157 11.7820 11.7820 13.0939 13.0939 13.5930 13.5930 13.7811 13.7811 k = 0.5000 0.3062 0.1138 ( 3554 PWs) bands (ev): -30.5738 -30.5738 -11.8353 -11.8353 -11.4599 -11.4599 -11.4560 -11.4560 0.2333 0.2333 0.2957 0.2957 3.9918 3.9918 4.3013 4.3013 4.3833 4.3833 4.8702 4.8702 5.0614 5.0614 6.1141 6.1141 6.1812 6.1812 6.3039 6.3039 6.8685 6.8685 7.4453 7.4453 8.5253 8.5253 8.6818 8.6818 11.0990 11.0990 11.1569 11.1569 11.8098 11.8098 13.0381 13.0381 13.6855 13.6855 13.8332 13.8332 k = 0.5000 0.3062 0.0949 ( 3554 PWs) bands (ev): -30.5738 -30.5738 -11.8352 -11.8352 -11.4598 -11.4598 -11.4558 -11.4558 0.2178 0.2178 0.2914 0.2914 3.9823 3.9823 4.3049 4.3049 4.3718 4.3718 4.8682 4.8682 5.0563 5.0563 6.1272 6.1272 6.1840 6.1840 6.3000 6.3000 6.8870 6.8870 7.4937 7.4937 8.5508 8.5508 8.7339 8.7339 11.0033 11.0033 11.1419 11.1419 11.8337 11.8337 12.9874 12.9874 13.7715 13.7715 13.8745 13.8745 k = 0.5000 0.3062 0.0759 ( 3558 PWs) bands (ev): -30.5738 -30.5738 -11.8351 -11.8351 -11.4598 -11.4598 -11.4556 -11.4556 0.2052 0.2052 0.2878 0.2878 3.9745 3.9745 4.3087 4.3087 4.3614 4.3614 4.8667 4.8667 5.0521 5.0521 6.1381 6.1381 6.1865 6.1865 6.2964 6.2964 6.9019 6.9019 7.5352 7.5352 8.5719 8.5719 8.7817 8.7817 10.9182 10.9182 11.1292 11.1292 11.8532 11.8532 12.9439 12.9439 13.8450 13.8450 13.9056 13.9056 k = 0.5000 0.3062 0.0569 ( 3552 PWs) bands (ev): -30.5738 -30.5738 -11.8350 -11.8350 -11.4598 -11.4598 -11.4555 -11.4555 0.1953 0.1953 0.2850 0.2850 3.9684 3.9684 4.3129 4.3129 4.3521 4.3521 4.8657 4.8657 5.0488 5.0488 6.1465 6.1465 6.1888 6.1888 6.2933 6.2933 6.9132 6.9132 7.5686 7.5686 8.5891 8.5891 8.8224 8.8224 10.8480 10.8480 11.1182 11.1182 11.8685 11.8685 12.9091 12.9091 13.8941 13.8941 13.9353 13.9353 k = 0.5000 0.3062 0.0379 ( 3548 PWs) bands (ev): -30.5738 -30.5738 -11.8349 -11.8349 -11.4597 -11.4597 -11.4553 -11.4553 0.1882 0.1882 0.2829 0.2829 3.9640 3.9640 4.3175 4.3175 4.3437 4.3437 4.8649 4.8649 5.0465 5.0465 6.1525 6.1525 6.1906 6.1906 6.2909 6.2909 6.9211 6.9211 7.5931 7.5931 8.6020 8.6020 8.8535 8.8535 10.7954 10.7954 11.1097 11.1097 11.8794 11.8794 12.8837 12.8837 13.9138 13.9138 13.9659 13.9659 k = 0.5000 0.3062 0.0190 ( 3546 PWs) bands (ev): -30.5739 -30.5739 -11.8349 -11.8349 -11.4597 -11.4597 -11.4553 -11.4553 0.1840 0.1840 0.2817 0.2817 3.9613 3.9613 4.3225 4.3225 4.3365 4.3365 4.8645 4.8645 5.0450 5.0450 6.1561 6.1561 6.1919 6.1919 6.2893 6.2893 6.9259 6.9259 7.6080 7.6080 8.6101 8.6101 8.8730 8.8730 10.7627 10.7627 11.1043 11.1043 11.8860 11.8860 12.8682 12.8682 13.9210 13.9210 13.9817 13.9817 k = 0.5000 0.3062 0.0000 ( 3520 PWs) bands (ev): -30.5738 -30.5738 -11.8348 -11.8348 -11.4597 -11.4597 -11.4552 -11.4552 0.1826 0.1826 0.2813 0.2813 3.9604 3.9604 4.3261 4.3261 4.3322 4.3322 4.8644 4.8644 5.0446 5.0446 6.1573 6.1573 6.1923 6.1923 6.2887 6.2887 6.9275 6.9275 7.6130 7.6130 8.6129 8.6129 8.8797 8.8797 10.7517 10.7517 11.1025 11.1025 11.8882 11.8882 12.8630 12.8630 13.9230 13.9230 13.9855 13.9855 k = 0.0000 0.0000 0.9574 ( 3608 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4604 -11.4604 0.5360 0.5360 2.1709 2.1709 3.6358 3.6358 3.7589 3.7589 5.0889 5.0889 5.0975 5.0975 5.3599 5.3599 5.3615 5.3615 6.2285 6.2285 6.3981 6.3981 6.7742 6.7742 6.7903 6.7903 7.3765 7.3765 8.0654 8.0654 8.4199 8.4199 8.4594 8.4594 9.8154 9.8154 12.9552 12.9552 14.0664 14.0664 14.1295 14.1295 k = 0.0156 0.0096 0.9574 ( 3612 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4603 -11.4603 0.5360 0.5360 2.1709 2.1709 3.6360 3.6360 3.7587 3.7587 5.0884 5.0884 5.0983 5.0983 5.3569 5.3569 5.3644 5.3644 6.2281 6.2281 6.3971 6.3971 6.7737 6.7737 6.7904 6.7904 7.3784 7.3784 8.0665 8.0665 8.4171 8.4171 8.4639 8.4639 9.8111 9.8111 12.9473 12.9473 14.0724 14.0724 14.1360 14.1360 k = 0.0312 0.0191 0.9574 ( 3604 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4603 -11.4603 0.5360 0.5360 2.1709 2.1709 3.6368 3.6368 3.7578 3.7578 5.0872 5.0872 5.1003 5.1003 5.3533 5.3533 5.3678 5.3678 6.2270 6.2270 6.3940 6.3940 6.7721 6.7721 6.7906 6.7906 7.3839 7.3839 8.0699 8.0699 8.4109 8.4109 8.4752 8.4752 9.7981 9.7981 12.9245 12.9245 14.0901 14.0901 14.1541 14.1541 k = 0.0469 0.0287 0.9574 ( 3604 PWs) bands (ev): -30.5722 -30.5722 -11.8461 -11.8461 -11.4778 -11.4778 -11.4603 -11.4603 0.5360 0.5360 2.1709 2.1709 3.6381 3.6381 3.7565 3.7565 5.0860 5.0860 5.1028 5.1028 5.3499 5.3499 5.3710 5.3710 6.2251 6.2251 6.3892 6.3892 6.7697 6.7697 6.7908 6.7908 7.3928 7.3928 8.0754 8.0754 8.4039 8.4039 8.4909 8.4909 9.7769 9.7769 12.8893 12.8893 14.1192 14.1192 14.1806 14.1806 k = 0.0625 0.0383 0.9574 ( 3592 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5361 0.5361 2.1708 2.1708 3.6399 3.6399 3.7546 3.7546 5.0849 5.0849 5.1056 5.1056 5.3467 5.3467 5.3738 5.3738 6.2224 6.2224 6.3828 6.3828 6.7669 6.7669 6.7909 6.7909 7.4045 7.4045 8.0826 8.0826 8.3971 8.3971 8.5101 8.5101 9.7480 9.7480 12.8450 12.8450 14.1591 14.1591 14.2113 14.2113 k = 0.0781 0.0478 0.9574 ( 3588 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5361 0.5361 2.1708 2.1708 3.6421 3.6421 3.7522 3.7522 5.0841 5.0841 5.1085 5.1085 5.3440 5.3440 5.3762 5.3762 6.2190 6.2190 6.3753 6.3753 6.7639 6.7639 6.7907 6.7907 7.4185 7.4185 8.0911 8.0911 8.3907 8.3907 8.5329 8.5329 9.7118 9.7118 12.7947 12.7947 14.2088 14.2088 14.2424 14.2424 k = 0.0938 0.0574 0.9574 ( 3586 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5361 0.5361 2.1707 2.1707 3.6448 3.6448 3.7494 3.7494 5.0837 5.0837 5.1113 5.1113 5.3418 5.3418 5.3780 5.3780 6.2149 6.2149 6.3671 6.3671 6.7609 6.7609 6.7904 6.7904 7.4342 7.4342 8.1005 8.1005 8.3849 8.3849 8.5593 8.5593 9.6693 9.6693 12.7415 12.7415 14.2661 14.2661 14.2723 14.2723 k = 0.1094 0.0670 0.9574 ( 3574 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5362 0.5362 2.1707 2.1707 3.6479 3.6479 3.7461 3.7461 5.0835 5.0835 5.1138 5.1138 5.3403 5.3403 5.3793 5.3793 6.2102 6.2102 6.3586 6.3586 6.7579 6.7579 6.7898 6.7898 7.4509 7.4509 8.1102 8.1102 8.3796 8.3796 8.5896 8.5896 9.6212 9.6212 12.6878 12.6878 14.2956 14.2956 14.3336 14.3336 k = 0.1250 0.0766 0.9574 ( 3578 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5362 0.5362 2.1706 2.1706 3.6514 3.6514 3.7424 3.7424 5.0836 5.0836 5.1161 5.1161 5.3394 5.3394 5.3799 5.3799 6.2050 6.2050 6.3502 6.3502 6.7552 6.7552 6.7892 6.7892 7.4679 7.4679 8.1198 8.1198 8.3748 8.3748 8.6239 8.6239 9.5685 9.5685 12.6356 12.6356 14.3163 14.3163 14.4054 14.4054 k = 0.1406 0.0861 0.9574 ( 3578 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5362 0.5362 2.1705 2.1705 3.6551 3.6551 3.7385 3.7385 5.0840 5.0840 5.1180 5.1180 5.3394 5.3394 5.3800 5.3800 6.1995 6.1995 6.3423 6.3423 6.7528 6.7528 6.7885 6.7885 7.4845 7.4845 8.1289 8.1289 8.3704 8.3704 8.6621 8.6621 9.5120 9.5120 12.5865 12.5865 14.3330 14.3330 14.4816 14.4816 k = 0.1562 0.0957 0.9574 ( 3572 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5363 0.5363 2.1704 2.1704 3.6592 3.6592 3.7343 3.7343 5.0846 5.0846 5.1196 5.1196 5.3401 5.3401 5.3794 5.3794 6.1939 6.1939 6.3352 6.3352 6.7507 6.7507 6.7878 6.7878 7.5003 7.5003 8.1373 8.1373 8.3666 8.3666 8.7042 8.7042 9.4527 9.4527 12.5417 12.5417 14.3463 14.3463 14.5604 14.5604 k = 0.1719 0.1053 0.9574 ( 3572 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4777 -11.4777 -11.4603 -11.4603 0.5363 0.5363 2.1704 2.1704 3.6634 3.6634 3.7299 3.7299 5.0853 5.0853 5.1207 5.1207 5.3414 5.3414 5.3782 5.3782 6.1885 6.1885 6.3290 6.3290 6.7488 6.7488 6.7871 6.7871 7.5146 7.5146 8.1446 8.1446 8.3634 8.3634 8.7498 8.7498 9.3917 9.3917 12.5022 12.5022 14.3567 14.3567 14.6400 14.6400 k = 0.1875 0.1148 0.9574 ( 3568 PWs) bands (ev): -30.5721 -30.5721 -11.8459 -11.8459 -11.4777 -11.4777 -11.4603 -11.4603 0.5363 0.5363 2.1703 2.1703 3.6676 3.6676 3.7256 3.7256 5.0861 5.0861 5.1214 5.1214 5.3434 5.3434 5.3766 5.3766 6.1835 6.1835 6.3239 6.3239 6.7474 6.7474 6.7865 6.7865 7.5269 7.5269 8.1507 8.1507 8.3606 8.3606 8.7981 8.7981 9.3300 9.3300 12.4689 12.4689 14.3646 14.3646 14.7184 14.7184 k = 0.2031 0.1244 0.9574 ( 3566 PWs) bands (ev): -30.5721 -30.5721 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5364 0.5364 2.1702 2.1702 3.6717 3.6717 3.7213 3.7213 5.0869 5.0869 5.1219 5.1219 5.3457 5.3457 5.3746 5.3746 6.1793 6.1793 6.3200 6.3200 6.7462 6.7462 6.7859 6.7859 7.5370 7.5370 8.1555 8.1555 8.3584 8.3584 8.8480 8.8480 9.2695 9.2695 12.4424 12.4424 14.3705 14.3705 14.7936 14.7936 k = 0.2188 0.1340 0.9574 ( 3570 PWs) bands (ev): -30.5722 -30.5722 -11.8459 -11.8459 -11.4777 -11.4777 -11.4603 -11.4603 0.5364 0.5364 2.1702 2.1702 3.6754 3.6754 3.7176 3.7176 5.0875 5.0875 5.1221 5.1221 5.3480 5.3480 5.3726 5.3726 6.1762 6.1762 6.3171 6.3171 6.7454 6.7454 6.7856 6.7856 7.5444 7.5444 8.1590 8.1590 8.3568 8.3568 8.8968 8.8968 9.2129 9.2129 12.4231 12.4231 14.3745 14.3745 14.8122 14.8122 k = 0.2344 0.1435 0.9574 ( 3564 PWs) bands (ev): -30.5721 -30.5721 -11.8459 -11.8459 -11.4776 -11.4776 -11.4603 -11.4603 0.5364 0.5364 2.1702 2.1702 3.6782 3.6782 3.7148 3.7148 5.0879 5.0879 5.1222 5.1222 5.3498 5.3498 5.3709 5.3709 6.1742 6.1742 6.3154 6.3154 6.7450 6.7450 6.7853 6.7853 7.5489 7.5489 8.1610 8.1610 8.3559 8.3559 8.9381 8.9381 9.1669 9.1669 12.4114 12.4114 14.3768 14.3768 14.8137 14.8137 k = 0.2500 0.1531 0.9574 ( 3572 PWs) bands (ev): -30.5722 -30.5722 -11.8460 -11.8460 -11.4776 -11.4776 -11.4603 -11.4603 0.5364 0.5364 2.1701 2.1701 3.6795 3.6795 3.7134 3.7134 5.0881 5.0881 5.1222 5.1222 5.3506 5.3506 5.3702 5.3702 6.1735 6.1735 6.3148 6.3148 6.7448 6.7448 6.7852 6.7852 7.5505 7.5505 8.1616 8.1616 8.3555 8.3555 8.9559 8.9559 9.1476 9.1476 12.4075 12.4075 14.3774 14.3774 14.8142 14.8142 Writing output data file CaxGeAux2.save init_run : 0.39s CPU 0.56s WALL ( 1 calls) electrons : 320.66s CPU 324.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 320.65s CPU 324.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 333 calls) cegterg : 298.51s CPU 301.83s WALL ( 904 calls) Called by sum_band: Called by *egterg: h_psi : 186.81s CPU 188.94s WALL ( 15911 calls) s_psi : 7.29s CPU 7.13s WALL ( 15911 calls) g_psi : 0.32s CPU 0.34s WALL ( 14674 calls) cdiaghg : 95.78s CPU 96.60s WALL ( 15007 calls) cegterg:over : 7.56s CPU 8.01s WALL ( 14674 calls) cegterg:upda : 7.85s CPU 8.00s WALL ( 14674 calls) cegterg:last : 3.74s CPU 3.76s WALL ( 2203 calls) cdiaghg:chol : 5.42s CPU 5.44s WALL ( 15007 calls) cdiaghg:inve : 3.38s CPU 3.55s WALL ( 15007 calls) cdiaghg:para : 5.88s CPU 5.53s WALL ( 30014 calls) Called by h_psi: h_psi:vloc : 170.15s CPU 171.91s WALL ( 15911 calls) h_psi:vnl : 16.37s CPU 16.71s WALL ( 15911 calls) add_vuspsi : 8.38s CPU 8.33s WALL ( 15911 calls) General routines calbec : 7.96s CPU 8.34s WALL ( 15911 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 154.67s CPU 156.51s WALL ( 1220776 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.18s WALL ( 666 calls) Parallel routines fft_scatter : 47.38s CPU 48.16s WALL ( 1220799 calls) PWSCF : 5m35.96s CPU 5m52.37s WALL This run was terminated on: 13:33:14 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=