Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:29 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Li2GaRh.save/ file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 51 51 14 1449 1449 216 Max 53 53 15 1452 1452 220 Sum 1843 1843 511 52201 52201 7799 bravais-lattice index = 14 lattice parameter (alat) = 8.0602 a.u. unit-cell volume = 370.2717 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.060188 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 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 Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Li 3.00 6.94100 Li( 1.00) Rh 17.00 102.90550 Rh( 1.00) Ga 13.00 69.72300 Ga( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 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 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0054467 0.0077028), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0108934 0.0154056), wk = 0.0028571 k( 4) = ( 0.0283019 -0.0163401 0.0231084), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0217868 0.0308112), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0272335 0.0385140), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0326802 0.0462168), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0381269 0.0539196), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0435736 0.0616224), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0490203 0.0693252), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0544670 0.0770280), wk = 0.0028571 k( 12) = ( 0.1037736 -0.0599137 0.0847308), wk = 0.0028571 k( 13) = ( 0.1132076 -0.0653604 0.0924336), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0708071 0.1001364), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0762538 0.1078392), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0817005 0.1155420), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0871472 0.1232448), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0925939 0.1309476), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0980406 0.1386504), wk = 0.0028571 k( 20) = ( 0.1792453 -0.1034873 0.1463532), wk = 0.0028571 k( 21) = ( 0.1886792 -0.1089340 0.1540560), wk = 0.0028571 k( 22) = ( 0.1981132 -0.1143807 0.1617588), wk = 0.0028571 k( 23) = ( 0.2075472 -0.1198274 0.1694616), wk = 0.0028571 k( 24) = ( 0.2169811 -0.1252741 0.1771644), wk = 0.0028571 k( 25) = ( 0.2264151 -0.1307208 0.1848671), wk = 0.0028571 k( 26) = ( 0.2358491 -0.1361675 0.1925700), wk = 0.0028571 k( 27) = ( 0.2452830 -0.1416142 0.2002727), wk = 0.0028571 k( 28) = ( 0.2547170 -0.1470609 0.2079755), wk = 0.0028571 k( 29) = ( 0.2641509 -0.1525076 0.2156783), wk = 0.0028571 k( 30) = ( 0.2735849 -0.1579543 0.2233811), wk = 0.0028571 k( 31) = ( 0.2830189 -0.1634010 0.2310839), wk = 0.0028571 k( 32) = ( 0.2924528 -0.1688477 0.2387867), wk = 0.0028571 k( 33) = ( 0.3018868 -0.1742944 0.2464895), wk = 0.0028571 k( 34) = ( 0.3113207 -0.1797411 0.2541923), wk = 0.0028571 k( 35) = ( 0.3207547 -0.1851878 0.2618951), wk = 0.0028571 k( 36) = ( 0.3301887 -0.1906345 0.2695979), wk = 0.0028571 k( 37) = ( 0.3396226 -0.1960812 0.2773007), wk = 0.0028571 k( 38) = ( 0.3490566 -0.2015279 0.2850035), wk = 0.0028571 k( 39) = ( 0.3584906 -0.2069746 0.2927063), wk = 0.0028571 k( 40) = ( 0.3679245 -0.2124213 0.3004091), wk = 0.0028571 k( 41) = ( 0.3773585 -0.2178680 0.3081119), wk = 0.0028571 k( 42) = ( 0.3867925 -0.2233147 0.3158147), wk = 0.0028571 k( 43) = ( 0.3962264 -0.2287614 0.3235175), wk = 0.0028571 k( 44) = ( 0.4056604 -0.2342081 0.3312203), wk = 0.0028571 k( 45) = ( 0.4150943 -0.2396548 0.3389231), wk = 0.0028571 k( 46) = ( 0.4245283 -0.2451015 0.3466259), wk = 0.0028571 k( 47) = ( 0.4339623 -0.2505482 0.3543287), wk = 0.0028571 k( 48) = ( 0.4433962 -0.2559949 0.3620315), wk = 0.0028571 k( 49) = ( 0.4528302 -0.2614416 0.3697343), wk = 0.0028571 k( 50) = ( 0.4622641 -0.2668883 0.3774371), wk = 0.0028571 k( 51) = ( 0.4716981 -0.2723350 0.3851399), wk = 0.0028571 k( 52) = ( 0.4811321 -0.2777817 0.3928427), wk = 0.0028571 k( 53) = ( 0.4905660 -0.2832284 0.4005455), wk = 0.0028571 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 55) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 k( 56) = ( 0.5000000 -0.2779835 0.4158084), wk = 0.0028571 k( 57) = ( 0.5000000 -0.2672918 0.4233686), wk = 0.0028571 k( 58) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0028571 k( 59) = ( 0.5000000 -0.2459084 0.4384889), wk = 0.0028571 k( 60) = ( 0.5000000 -0.2352168 0.4460491), wk = 0.0028571 k( 61) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0028571 k( 62) = ( 0.5000000 -0.2138334 0.4611694), wk = 0.0028571 k( 63) = ( 0.5000000 -0.2031418 0.4687295), wk = 0.0028571 k( 64) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0028571 k( 65) = ( 0.5000000 -0.1817584 0.4838498), wk = 0.0028571 k( 66) = ( 0.5000000 -0.1710667 0.4914100), wk = 0.0028571 k( 67) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0028571 k( 68) = ( 0.5000000 -0.1496834 0.5065303), wk = 0.0028571 k( 69) = ( 0.5000000 -0.1389917 0.5140904), wk = 0.0028571 k( 70) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0028571 k( 71) = ( 0.5000000 -0.1176084 0.5292107), wk = 0.0028571 k( 72) = ( 0.5000000 -0.1069167 0.5367709), wk = 0.0028571 k( 73) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0028571 k( 74) = ( 0.5000000 -0.0855334 0.5518912), wk = 0.0028571 k( 75) = ( 0.5000000 -0.0748417 0.5594514), wk = 0.0028571 k( 76) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0028571 k( 77) = ( 0.5000000 -0.0534584 0.5745717), wk = 0.0028571 k( 78) = ( 0.5000000 -0.0427667 0.5821318), wk = 0.0028571 k( 79) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0028571 k( 80) = ( 0.5000000 -0.0213833 0.5972521), wk = 0.0028571 k( 81) = ( 0.5000000 -0.0106917 0.6048123), wk = 0.0028571 k( 82) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 83) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 84) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028571 k( 85) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028571 k( 86) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028571 k( 87) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028571 k( 88) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028571 k( 89) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028571 k( 90) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028571 k( 91) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028571 k( 92) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028571 k( 93) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028571 k( 94) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028571 k( 95) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028571 k( 96) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028571 k( 97) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028571 k( 98) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028571 k( 99) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028571 k( 100) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028571 k( 101) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028571 k( 102) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 103) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 104) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028571 k( 105) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028571 k( 106) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028571 k( 107) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028571 k( 108) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028571 k( 109) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028571 k( 110) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028571 k( 111) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028571 k( 112) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028571 k( 113) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028571 k( 114) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028571 k( 115) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028571 k( 116) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028571 k( 117) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028571 k( 118) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028571 k( 119) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028571 k( 120) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028571 k( 121) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028571 k( 122) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028571 k( 123) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028571 k( 124) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028571 k( 125) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028571 k( 126) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028571 k( 127) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028571 k( 128) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028571 k( 129) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028571 k( 130) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028571 k( 131) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028571 k( 132) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028571 k( 133) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028571 k( 134) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028571 k( 135) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028571 k( 136) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028571 k( 137) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028571 k( 138) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028571 k( 139) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028571 k( 140) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028571 k( 141) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028571 k( 142) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028571 k( 143) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028571 k( 144) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028571 k( 145) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028571 k( 146) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028571 k( 147) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028571 k( 148) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028571 k( 149) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028571 k( 150) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028571 k( 151) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028571 k( 152) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028571 k( 153) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028571 k( 154) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028571 k( 155) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028571 k( 156) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028571 k( 157) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028571 k( 158) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0062755 0.0044375), wk = 0.0028571 k( 162) = ( 0.0217391 0.0125511 0.0088750), wk = 0.0028571 k( 163) = ( 0.0326087 0.0188266 0.0133124), wk = 0.0028571 k( 164) = ( 0.0434783 0.0251022 0.0177499), wk = 0.0028571 k( 165) = ( 0.0543478 0.0313777 0.0221874), wk = 0.0028571 k( 166) = ( 0.0652174 0.0376533 0.0266249), wk = 0.0028571 k( 167) = ( 0.0760870 0.0439288 0.0310624), wk = 0.0028571 k( 168) = ( 0.0869565 0.0502044 0.0354999), wk = 0.0028571 k( 169) = ( 0.0978261 0.0564799 0.0399373), wk = 0.0028571 k( 170) = ( 0.1086957 0.0627555 0.0443748), wk = 0.0028571 k( 171) = ( 0.1195652 0.0690310 0.0488123), wk = 0.0028571 k( 172) = ( 0.1304348 0.0753066 0.0532498), wk = 0.0028571 k( 173) = ( 0.1413043 0.0815821 0.0576873), wk = 0.0028571 k( 174) = ( 0.1521739 0.0878576 0.0621247), wk = 0.0028571 k( 175) = ( 0.1630435 0.0941332 0.0665622), wk = 0.0028571 k( 176) = ( 0.1739130 0.1004087 0.0709997), wk = 0.0028571 k( 177) = ( 0.1847826 0.1066843 0.0754372), wk = 0.0028571 k( 178) = ( 0.1956522 0.1129598 0.0798747), wk = 0.0028571 k( 179) = ( 0.2065217 0.1192354 0.0843121), wk = 0.0028571 k( 180) = ( 0.2173913 0.1255109 0.0887496), wk = 0.0028571 k( 181) = ( 0.2282609 0.1317865 0.0931871), wk = 0.0028571 k( 182) = ( 0.2391304 0.1380620 0.0976246), wk = 0.0028571 k( 183) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0028571 k( 184) = ( 0.2608696 0.1506131 0.1064996), wk = 0.0028571 k( 185) = ( 0.2717391 0.1568887 0.1109370), wk = 0.0028571 k( 186) = ( 0.2826087 0.1631642 0.1153745), wk = 0.0028571 k( 187) = ( 0.2934783 0.1694398 0.1198120), wk = 0.0028571 k( 188) = ( 0.3043478 0.1757153 0.1242495), wk = 0.0028571 k( 189) = ( 0.3152174 0.1819908 0.1286870), wk = 0.0028571 k( 190) = ( 0.3260870 0.1882664 0.1331244), wk = 0.0028571 k( 191) = ( 0.3369565 0.1945419 0.1375619), wk = 0.0028571 k( 192) = ( 0.3478261 0.2008175 0.1419994), wk = 0.0028571 k( 193) = ( 0.3586956 0.2070930 0.1464369), wk = 0.0028571 k( 194) = ( 0.3695652 0.2133686 0.1508744), wk = 0.0028571 k( 195) = ( 0.3804348 0.2196441 0.1553118), wk = 0.0028571 k( 196) = ( 0.3913044 0.2259197 0.1597493), wk = 0.0028571 k( 197) = ( 0.4021739 0.2321952 0.1641868), wk = 0.0028571 k( 198) = ( 0.4130435 0.2384708 0.1686243), wk = 0.0028571 k( 199) = ( 0.4239130 0.2447463 0.1730618), wk = 0.0028571 k( 200) = ( 0.4347826 0.2510219 0.1774993), wk = 0.0028571 k( 201) = ( 0.4456522 0.2572974 0.1819367), wk = 0.0028571 k( 202) = ( 0.4565217 0.2635729 0.1863742), wk = 0.0028571 k( 203) = ( 0.4673913 0.2698485 0.1908117), wk = 0.0028571 k( 204) = ( 0.4782609 0.2761240 0.1952492), wk = 0.0028571 k( 205) = ( 0.4891304 0.2823996 0.1996867), wk = 0.0028571 k( 206) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 207) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 208) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028571 k( 209) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028571 k( 210) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028571 k( 211) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028571 k( 212) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028571 k( 213) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028571 k( 214) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028571 k( 215) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028571 k( 216) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028571 k( 217) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028571 k( 218) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028571 k( 219) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028571 k( 220) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028571 k( 221) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028571 k( 222) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028571 k( 223) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028571 k( 224) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028571 k( 225) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028571 k( 226) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028571 k( 227) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028571 k( 228) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028571 k( 229) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028571 k( 230) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028571 k( 231) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028571 k( 232) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028571 k( 233) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028571 k( 234) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028571 k( 235) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028571 k( 236) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028571 k( 237) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028571 k( 238) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028571 k( 239) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 240) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 241) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028571 k( 242) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028571 k( 243) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028571 k( 244) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028571 k( 245) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028571 k( 246) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028571 k( 247) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028571 k( 248) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028571 k( 249) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028571 k( 250) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028571 k( 251) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028571 k( 252) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028571 k( 253) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028571 k( 254) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028571 k( 255) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028571 k( 256) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028571 k( 257) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028571 k( 258) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028571 k( 259) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 260) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0028571 k( 261) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028571 k( 262) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028571 k( 263) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028571 k( 264) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028571 k( 265) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028571 k( 266) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028571 k( 267) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028571 k( 268) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028571 k( 269) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028571 k( 270) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028571 k( 271) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028571 k( 272) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028571 k( 273) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028571 k( 274) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028571 k( 275) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028571 k( 276) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028571 k( 277) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028571 k( 278) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028571 k( 279) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028571 k( 280) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028571 k( 281) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028571 k( 282) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028571 k( 283) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028571 k( 284) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028571 k( 285) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028571 k( 286) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028571 k( 287) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028571 k( 288) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028571 k( 289) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028571 k( 290) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028571 k( 291) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028571 k( 292) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028571 k( 293) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028571 k( 294) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028571 k( 295) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028571 k( 296) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028571 k( 297) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 298) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028571 k( 299) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028571 k( 300) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028571 k( 301) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028571 k( 302) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028571 k( 303) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028571 k( 304) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028571 k( 305) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028571 k( 306) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028571 k( 307) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028571 k( 308) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028571 k( 309) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028571 k( 310) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028571 k( 311) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028571 k( 312) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028571 k( 313) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028571 k( 314) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028571 k( 315) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028571 k( 316) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028571 k( 317) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028571 k( 318) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028571 k( 319) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028571 k( 320) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028571 k( 321) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028571 k( 322) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028571 k( 323) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028571 k( 324) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028571 k( 325) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028571 k( 326) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028571 k( 327) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028571 k( 328) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028571 k( 329) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028571 k( 330) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028571 k( 331) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028571 k( 332) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028571 k( 333) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028571 k( 334) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028571 k( 335) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028571 k( 336) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028571 k( 337) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028571 k( 338) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028571 k( 339) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028571 k( 340) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028571 k( 341) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028571 k( 342) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028571 k( 343) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028571 k( 344) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028571 k( 345) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028571 k( 346) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028571 k( 347) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028571 k( 348) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028571 k( 349) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028571 k( 350) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0094340 -0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0188679 -0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0283019 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0377359 -0.0000000 0.0377358), wk = 0.0028571 k( 6) = ( 0.0471698 -0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0566038 -0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0660377 -0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0754717 -0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0849057 -0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0943396 -0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.1037736 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.1132076 0.0000000 0.1132075), wk = 0.0028571 k( 14) = ( 0.1226415 -0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.1320755 -0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.1415094 -0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.1509434 -0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.1603774 -0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.1698113 -0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.1792453 -0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.1886792 -0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.1981132 -0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.2075472 -0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.2169811 -0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.2264151 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.2358491 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.2452830 -0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.2547170 -0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.2641509 -0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.2735849 -0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.2830189 -0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.2924528 -0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.3018868 -0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.3113207 -0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.3207547 -0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.3301887 -0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.3396226 -0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.3490566 -0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.3584906 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.3679245 -0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.3773585 -0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.3867925 -0.0000000 0.3867924), wk = 0.0028571 k( 43) = ( 0.3962264 -0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.4056604 -0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.4150943 -0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.4245283 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.4339623 -0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.4433962 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.4528302 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.4622641 -0.0000000 0.4622641), wk = 0.0028571 k( 51) = ( 0.4716981 -0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.4811321 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.4905660 -0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( 0.5000000 0.0092593 0.5092593), wk = 0.0028571 k( 57) = ( 0.5000000 0.0185185 0.5185185), wk = 0.0028571 k( 58) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0028571 k( 59) = ( 0.5000000 0.0370370 0.5370370), wk = 0.0028571 k( 60) = ( 0.5000000 0.0462963 0.5462963), wk = 0.0028571 k( 61) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0028571 k( 62) = ( 0.5000000 0.0648148 0.5648148), wk = 0.0028571 k( 63) = ( 0.5000000 0.0740741 0.5740741), wk = 0.0028571 k( 64) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0028571 k( 65) = ( 0.5000000 0.0925926 0.5925926), wk = 0.0028571 k( 66) = ( 0.5000000 0.1018518 0.6018518), wk = 0.0028571 k( 67) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0028571 k( 68) = ( 0.5000000 0.1203704 0.6203704), wk = 0.0028571 k( 69) = ( 0.5000000 0.1296296 0.6296296), wk = 0.0028571 k( 70) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0028571 k( 71) = ( 0.5000000 0.1481481 0.6481482), wk = 0.0028571 k( 72) = ( 0.5000000 0.1574074 0.6574074), wk = 0.0028571 k( 73) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0028571 k( 74) = ( 0.5000000 0.1759259 0.6759259), wk = 0.0028571 k( 75) = ( 0.5000000 0.1851852 0.6851852), wk = 0.0028571 k( 76) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0028571 k( 77) = ( 0.5000000 0.2037037 0.7037037), wk = 0.0028571 k( 78) = ( 0.5000000 0.2129630 0.7129630), wk = 0.0028571 k( 79) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0028571 k( 80) = ( 0.5000000 0.2314815 0.7314815), wk = 0.0028571 k( 81) = ( 0.5000000 0.2407407 0.7407407), wk = 0.0028571 k( 82) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 83) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 84) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028571 k( 85) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028571 k( 86) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028571 k( 87) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028571 k( 88) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028571 k( 89) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028571 k( 90) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028571 k( 91) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028571 k( 92) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028571 k( 93) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028571 k( 94) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028571 k( 95) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028571 k( 96) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028571 k( 97) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028571 k( 98) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028571 k( 99) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028571 k( 100) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028571 k( 101) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028571 k( 102) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 103) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 104) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028571 k( 105) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028571 k( 106) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028571 k( 107) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028571 k( 108) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028571 k( 109) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028571 k( 110) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028571 k( 111) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028571 k( 112) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028571 k( 113) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028571 k( 114) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028571 k( 115) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028571 k( 116) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028571 k( 117) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028571 k( 118) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028571 k( 119) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028571 k( 120) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028571 k( 121) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028571 k( 122) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028571 k( 123) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028571 k( 124) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028571 k( 125) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028571 k( 126) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028571 k( 127) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028571 k( 128) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028571 k( 129) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028571 k( 130) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028571 k( 131) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028571 k( 132) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028571 k( 133) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028571 k( 134) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028571 k( 135) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028571 k( 136) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028571 k( 137) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028571 k( 138) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028571 k( 139) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028571 k( 140) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028571 k( 141) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028571 k( 142) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028571 k( 143) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028571 k( 144) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028571 k( 145) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028571 k( 146) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028571 k( 147) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028571 k( 148) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028571 k( 149) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028571 k( 150) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028571 k( 151) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028571 k( 152) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028571 k( 153) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028571 k( 154) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028571 k( 155) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028571 k( 156) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028571 k( 157) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028571 k( 158) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 161) = ( 0.0108696 0.0108696 0.0108696), wk = 0.0028571 k( 162) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0028571 k( 163) = ( 0.0326087 0.0326087 0.0326087), wk = 0.0028571 k( 164) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0028571 k( 165) = ( 0.0543478 0.0543478 0.0543478), wk = 0.0028571 k( 166) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0028571 k( 167) = ( 0.0760870 0.0760870 0.0760870), wk = 0.0028571 k( 168) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0028571 k( 169) = ( 0.0978261 0.0978261 0.0978261), wk = 0.0028571 k( 170) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0028571 k( 171) = ( 0.1195652 0.1195652 0.1195652), wk = 0.0028571 k( 172) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0028571 k( 173) = ( 0.1413043 0.1413043 0.1413043), wk = 0.0028571 k( 174) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0028571 k( 175) = ( 0.1630435 0.1630435 0.1630435), wk = 0.0028571 k( 176) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0028571 k( 177) = ( 0.1847826 0.1847826 0.1847826), wk = 0.0028571 k( 178) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0028571 k( 179) = ( 0.2065217 0.2065217 0.2065217), wk = 0.0028571 k( 180) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0028571 k( 181) = ( 0.2282609 0.2282609 0.2282609), wk = 0.0028571 k( 182) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0028571 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 184) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0028571 k( 185) = ( 0.2717391 0.2717391 0.2717391), wk = 0.0028571 k( 186) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0028571 k( 187) = ( 0.2934783 0.2934783 0.2934783), wk = 0.0028571 k( 188) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0028571 k( 189) = ( 0.3152174 0.3152174 0.3152174), wk = 0.0028571 k( 190) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0028571 k( 191) = ( 0.3369565 0.3369565 0.3369565), wk = 0.0028571 k( 192) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0028571 k( 193) = ( 0.3586956 0.3586956 0.3586956), wk = 0.0028571 k( 194) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0028571 k( 195) = ( 0.3804348 0.3804348 0.3804348), wk = 0.0028571 k( 196) = ( 0.3913044 0.3913044 0.3913043), wk = 0.0028571 k( 197) = ( 0.4021739 0.4021739 0.4021739), wk = 0.0028571 k( 198) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0028571 k( 199) = ( 0.4239130 0.4239130 0.4239130), wk = 0.0028571 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0028571 k( 201) = ( 0.4456522 0.4456522 0.4456522), wk = 0.0028571 k( 202) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0028571 k( 203) = ( 0.4673913 0.4673913 0.4673913), wk = 0.0028571 k( 204) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0028571 k( 205) = ( 0.4891304 0.4891304 0.4891304), wk = 0.0028571 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028571 k( 209) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028571 k( 210) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028571 k( 211) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028571 k( 212) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028571 k( 213) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028571 k( 214) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028571 k( 215) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028571 k( 216) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028571 k( 217) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028571 k( 218) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028571 k( 219) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028571 k( 220) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028571 k( 221) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028571 k( 222) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028571 k( 223) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028571 k( 224) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028571 k( 225) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028571 k( 226) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028571 k( 227) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028571 k( 228) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028571 k( 229) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028571 k( 230) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028571 k( 231) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028571 k( 232) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028571 k( 233) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028571 k( 234) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028571 k( 235) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028571 k( 236) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028571 k( 237) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028571 k( 238) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028571 k( 239) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 240) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 241) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028571 k( 242) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028571 k( 243) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028571 k( 244) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028571 k( 245) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028571 k( 246) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028571 k( 247) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028571 k( 248) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028571 k( 249) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028571 k( 250) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028571 k( 251) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028571 k( 252) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028571 k( 253) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028571 k( 254) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028571 k( 255) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028571 k( 256) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028571 k( 257) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028571 k( 258) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028571 k( 259) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 260) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028571 k( 261) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028571 k( 262) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028571 k( 263) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028571 k( 264) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028571 k( 265) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028571 k( 266) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028571 k( 267) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028571 k( 268) = ( 0.5000000 0.3040541 0.6959459), wk = 0.0028571 k( 269) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028571 k( 270) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028571 k( 271) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028571 k( 272) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028571 k( 273) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028571 k( 274) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028571 k( 275) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028571 k( 276) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028571 k( 277) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028571 k( 278) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028571 k( 279) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028571 k( 280) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028571 k( 281) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028571 k( 282) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028571 k( 283) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028571 k( 284) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028571 k( 285) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028571 k( 286) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028571 k( 287) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028571 k( 288) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028571 k( 289) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028571 k( 290) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028571 k( 291) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028571 k( 292) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028571 k( 293) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028571 k( 294) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028571 k( 295) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028571 k( 296) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028571 k( 300) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028571 k( 301) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028571 k( 302) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028571 k( 303) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028571 k( 304) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028571 k( 305) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028571 k( 306) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028571 k( 307) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028571 k( 308) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028571 k( 309) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028571 k( 310) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028571 k( 311) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028571 k( 312) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028571 k( 313) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028571 k( 314) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028571 k( 315) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028571 k( 316) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028571 k( 317) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028571 k( 318) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028571 k( 319) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028571 k( 320) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028571 k( 321) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028571 k( 322) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028571 k( 323) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028571 k( 324) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028571 k( 325) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028571 k( 326) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028571 k( 327) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028571 k( 328) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028571 k( 329) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028571 k( 330) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028571 k( 331) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028571 k( 332) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028571 k( 333) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028571 k( 334) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028571 k( 335) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028571 k( 336) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028571 k( 337) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028571 k( 338) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028571 k( 339) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028571 k( 340) = ( 0.5657895 0.1315790 0.5657895), wk = 0.0028571 k( 341) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028571 k( 342) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028571 k( 343) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028571 k( 344) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028571 k( 345) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028571 k( 346) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028571 k( 347) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028571 k( 348) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028571 k( 349) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028571 k( 350) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028571 Dense grid: 52201 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 380, 44) NL pseudopotentials 0.28 Mb ( 190, 96) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1451) G-vector shells 0.00 Mb ( 394) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 380, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2GaRh.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.6 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.0 secs Computing kpt #: 23 total cpu time spent up to now is 15.4 secs Computing kpt #: 24 total cpu time spent up to now is 15.9 secs Computing kpt #: 25 total cpu time spent up to now is 16.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 19.9 secs Computing kpt #: 33 total cpu time spent up to now is 20.4 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.3 secs Computing kpt #: 40 total cpu time spent up to now is 23.7 secs Computing kpt #: 41 total cpu time spent up to now is 24.4 secs Computing kpt #: 42 total cpu time spent up to now is 24.8 secs Computing kpt #: 43 total cpu time spent up to now is 25.3 secs Computing kpt #: 44 total cpu time spent up to now is 25.7 secs Computing kpt #: 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33.1 secs Computing kpt #: 61 total cpu time spent up to now is 33.6 secs Computing kpt #: 62 total cpu time spent up to now is 34.1 secs Computing kpt #: 63 total cpu time spent up to now is 34.7 secs Computing kpt #: 64 total cpu time spent up to now is 35.2 secs Computing kpt #: 65 total cpu time spent up to now is 35.7 secs Computing kpt #: 66 total cpu time spent up to now is 36.1 secs Computing kpt #: 67 total cpu time spent up to now is 36.6 secs Computing kpt #: 68 total cpu time spent up to now is 37.1 secs Computing kpt #: 69 total cpu time spent up to now is 37.6 secs Computing kpt #: 70 total cpu time spent up to now is 38.1 secs Computing kpt #: 71 total cpu time spent up to now is 38.6 secs Computing kpt #: 72 total cpu time spent up to now is 39.2 secs Computing kpt #: 73 total cpu time spent up to now is 39.7 secs Computing kpt #: 74 total cpu time spent up to now is 40.1 secs Computing kpt #: 75 total cpu time spent up to now is 40.6 secs Computing kpt #: 76 total cpu time spent up to now is 41.2 secs Computing kpt #: 77 total cpu time spent up to now is 41.6 secs Computing kpt #: 78 total cpu time spent up to now is 42.2 secs Computing kpt #: 79 total cpu time spent up to now is 42.8 secs Computing kpt #: 80 total cpu time spent up to now is 43.3 secs Computing kpt #: 81 total cpu time spent up to now is 43.8 secs Computing kpt #: 82 total cpu time spent up to now is 44.4 secs Computing kpt #: 83 total cpu time spent up to now is 45.0 secs Computing kpt #: 84 total cpu time spent up to now is 45.6 secs Computing kpt #: 85 total cpu time spent up to now is 46.1 secs Computing kpt #: 86 total cpu time spent up to now is 46.6 secs Computing kpt #: 87 total cpu time spent up to now is 47.2 secs Computing kpt #: 88 total cpu time spent up to now is 47.7 secs Computing kpt #: 89 total cpu time spent up to now is 48.2 secs Computing kpt #: 90 total cpu time spent up to now is 48.8 secs Computing kpt #: 91 total cpu time spent up to now is 49.4 secs Computing kpt #: 92 total cpu time spent up to now is 49.9 secs Computing kpt #: 93 total cpu time spent up to now is 50.4 secs Computing kpt #: 94 total cpu time spent up to now is 51.0 secs Computing kpt #: 95 total cpu time spent up to now is 51.6 secs Computing kpt #: 96 total cpu time spent up to now is 52.1 secs Computing kpt #: 97 total cpu time spent up to now is 52.6 secs Computing kpt #: 98 total cpu time spent up to now is 53.2 secs Computing kpt #: 99 total cpu time spent up to now is 53.8 secs Computing kpt #: 100 total cpu time spent up to now is 54.2 secs Computing kpt #: 101 total cpu time spent up to now is 54.8 secs Computing kpt #: 102 total cpu time spent up to now is 55.3 secs Computing kpt #: 103 total cpu time spent up to now is 55.8 secs Computing kpt #: 104 total cpu time spent up to now is 56.3 secs Computing kpt #: 105 total cpu time spent up to now is 56.8 secs Computing kpt #: 106 total cpu time spent up to now is 57.4 secs Computing kpt #: 107 total cpu time spent up to now is 58.0 secs Computing kpt #: 108 total cpu time spent up to now is 58.6 secs Computing kpt #: 109 total cpu time spent up to now is 59.4 secs Computing kpt #: 110 total cpu time spent up to now is 60.1 secs Computing kpt #: 111 total cpu time spent up to now is 60.8 secs Computing kpt #: 112 total cpu time spent up to now is 61.3 secs Computing kpt #: 113 total cpu time spent up to now is 61.9 secs Computing kpt #: 114 total cpu time spent up to now is 62.4 secs Computing kpt #: 115 total cpu time spent up to now is 63.0 secs Computing kpt #: 116 total cpu time spent up to now is 63.6 secs Computing kpt #: 117 total cpu time spent up to now is 64.2 secs Computing kpt #: 118 total cpu time spent up to now is 64.8 secs Computing kpt #: 119 total cpu time spent up to now is 65.3 secs Computing kpt #: 120 total cpu time spent up to now is 65.9 secs Computing kpt #: 121 total cpu time spent up to now is 66.4 secs Computing kpt #: 122 total cpu time spent up to now is 67.0 secs Computing kpt #: 123 total cpu time spent up to now is 67.6 secs Computing kpt #: 124 total cpu time spent up to now is 68.1 secs Computing kpt #: 125 total cpu time spent up to now is 68.7 secs Computing kpt #: 126 total cpu time spent up to now is 69.3 secs Computing kpt #: 127 total cpu time spent up to now is 69.9 secs Computing kpt #: 128 total cpu time spent up to now is 70.4 secs Computing kpt #: 129 total cpu time spent up to now is 71.0 secs Computing kpt #: 130 total cpu time spent up to now is 71.6 secs Computing kpt #: 131 total cpu time spent up to now is 72.2 secs Computing kpt #: 132 total cpu time spent up to now is 72.8 secs Computing kpt #: 133 total cpu time spent up to now is 73.3 secs Computing kpt #: 134 total cpu time spent up to now is 73.9 secs Computing kpt #: 135 total cpu time spent up to now is 74.4 secs Computing kpt #: 136 total cpu time spent up to now is 75.0 secs Computing kpt #: 137 total cpu time spent up to now is 75.6 secs Computing kpt #: 138 total cpu time spent up to now is 76.1 secs Computing kpt #: 139 total cpu time spent up to now is 76.7 secs Computing kpt #: 140 total cpu time spent up to now is 77.2 secs Computing kpt #: 141 total cpu time spent up to now is 77.9 secs Computing kpt #: 142 total cpu time spent up to now is 78.4 secs Computing kpt #: 143 total cpu time spent up to now is 79.0 secs Computing kpt #: 144 total cpu time spent up to now is 79.7 secs Computing kpt #: 145 total cpu time spent up to now is 80.3 secs Computing kpt #: 146 total cpu time spent up to now is 80.9 secs Computing kpt #: 147 total cpu time spent up to now is 81.4 secs Computing kpt #: 148 total cpu time spent up to now is 82.0 secs Computing kpt #: 149 total cpu time spent up to now is 82.5 secs Computing kpt #: 150 total cpu time spent up to now is 83.0 secs Computing kpt #: 151 total cpu time spent up to now is 83.6 secs Computing kpt #: 152 total cpu time spent up to now is 84.1 secs Computing kpt #: 153 total cpu time spent up to now is 84.7 secs Computing kpt #: 154 total cpu time spent up to now is 85.2 secs Computing kpt #: 155 total cpu time spent up to now is 85.8 secs Computing kpt #: 156 total cpu time spent up to now is 86.5 secs Computing kpt #: 157 total cpu time spent up to now is 87.0 secs Computing kpt #: 158 total cpu time spent up to now is 87.6 secs Computing kpt #: 159 total cpu time spent up to now is 88.1 secs Computing kpt #: 160 total cpu time spent up to now is 88.7 secs Computing kpt #: 161 total cpu time spent up to now is 89.3 secs Computing kpt #: 162 total cpu time spent up to now is 89.9 secs Computing kpt #: 163 total cpu time spent up to now is 90.5 secs Computing kpt #: 164 total cpu time spent up to now is 91.1 secs Computing kpt #: 165 total cpu time spent up to now is 91.6 secs Computing kpt #: 166 total cpu time spent up to now is 92.1 secs Computing kpt #: 167 total cpu time spent up to now is 92.7 secs Computing kpt #: 168 total cpu time spent up to now is 93.2 secs Computing kpt #: 169 total cpu time spent up to now is 93.7 secs Computing kpt #: 170 total cpu time spent up to now is 94.3 secs Computing kpt #: 171 total cpu time spent up to now is 94.8 secs Computing kpt #: 172 total cpu time spent up to now is 95.4 secs Computing kpt #: 173 total cpu time spent up to now is 96.0 secs Computing kpt #: 174 total cpu time spent up to now is 96.5 secs Computing kpt #: 175 total cpu time spent up to now is 97.1 secs Computing kpt #: 176 total cpu time spent up to now is 97.7 secs Computing kpt #: 177 total cpu time spent up to now is 98.2 secs Computing kpt #: 178 total cpu time spent up to now is 98.8 secs Computing kpt #: 179 total cpu time spent up to now is 99.5 secs Computing kpt #: 180 total cpu time spent up to now is 100.1 secs Computing kpt #: 181 total cpu time spent up to now is 100.6 secs Computing kpt #: 182 total cpu time spent up to now is 101.2 secs Computing kpt #: 183 total cpu time spent up to now is 101.8 secs Computing kpt #: 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cpu time spent up to now is 110.8 secs Computing kpt #: 200 total cpu time spent up to now is 111.3 secs Computing kpt #: 201 total cpu time spent up to now is 111.9 secs Computing kpt #: 202 total cpu time spent up to now is 112.4 secs Computing kpt #: 203 total cpu time spent up to now is 112.9 secs Computing kpt #: 204 total cpu time spent up to now is 113.5 secs Computing kpt #: 205 total cpu time spent up to now is 114.0 secs Computing kpt #: 206 total cpu time spent up to now is 114.6 secs Computing kpt #: 207 total cpu time spent up to now is 115.1 secs Computing kpt #: 208 total cpu time spent up to now is 115.6 secs Computing kpt #: 209 total cpu time spent up to now is 116.2 secs Computing kpt #: 210 total cpu time spent up to now is 116.8 secs Computing kpt #: 211 total cpu time spent up to now is 117.4 secs Computing kpt #: 212 total cpu time spent up to now is 118.0 secs Computing kpt #: 213 total cpu time spent up to now is 118.5 secs Computing kpt #: 214 total cpu time spent up to now is 119.1 secs Computing kpt #: 215 total cpu time spent up to now is 119.7 secs Computing kpt #: 216 total cpu time spent up to now is 120.2 secs Computing kpt #: 217 total cpu time spent up to now is 120.8 secs Computing kpt #: 218 total cpu time spent up to now is 121.4 secs Computing kpt #: 219 total cpu time spent up to now is 121.9 secs Computing kpt #: 220 total cpu time spent up to now is 122.4 secs Computing kpt #: 221 total cpu time spent up to now is 123.0 secs Computing kpt #: 222 total cpu time spent up to now is 123.5 secs Computing kpt #: 223 total cpu time spent up to now is 124.0 secs Computing kpt #: 224 total cpu time spent up to now is 124.6 secs Computing kpt #: 225 total cpu time spent up to now is 125.1 secs Computing kpt #: 226 total cpu time spent up to now is 125.6 secs Computing kpt #: 227 total cpu time spent up to now is 126.1 secs Computing kpt #: 228 total cpu time spent up to now is 126.7 secs Computing kpt #: 229 total cpu time spent up to now is 127.3 secs Computing kpt #: 230 total cpu time spent up to now is 127.9 secs Computing kpt #: 231 total cpu time spent up to now is 128.6 secs Computing kpt #: 232 total cpu time spent up to now is 129.2 secs Computing kpt #: 233 total cpu time spent up to now is 129.8 secs Computing kpt #: 234 total cpu time spent up to now is 130.3 secs Computing kpt #: 235 total cpu time spent up to now is 130.9 secs Computing kpt #: 236 total cpu time spent up to now is 131.4 secs Computing kpt #: 237 total cpu time spent up to now is 131.8 secs Computing kpt #: 238 total cpu time spent up to now is 132.4 secs Computing kpt #: 239 total cpu time spent up to now is 132.9 secs Computing kpt #: 240 total cpu time spent up to now is 133.6 secs Computing kpt #: 241 total cpu time spent up to now is 134.2 secs Computing kpt #: 242 total cpu time spent up to now is 135.0 secs Computing kpt #: 243 total cpu time spent up to now is 135.5 secs Computing kpt #: 244 total cpu time spent up to now is 136.0 secs Computing kpt #: 245 total cpu time spent up to now is 136.5 secs Computing kpt #: 246 total cpu time spent up to now is 137.0 secs Computing kpt #: 247 total cpu time spent up to now is 137.5 secs Computing kpt #: 248 total cpu time spent up to now is 138.1 secs Computing kpt #: 249 total cpu time spent up to now is 138.6 secs Computing kpt #: 250 total cpu time spent up to now is 139.1 secs Computing kpt #: 251 total cpu time spent up to now is 139.6 secs Computing kpt #: 252 total cpu time spent up to now is 140.2 secs Computing kpt #: 253 total cpu time spent up to now is 140.7 secs Computing kpt #: 254 total cpu time spent up to now is 141.3 secs Computing kpt #: 255 total cpu time spent up to now is 141.8 secs Computing kpt #: 256 total cpu time spent up to now is 142.4 secs Computing kpt #: 257 total cpu time spent up to now is 143.0 secs Computing kpt #: 258 total cpu time spent up to now is 143.7 secs Computing kpt #: 259 total cpu time spent up to now is 144.3 secs Computing kpt #: 260 total cpu time spent up to now is 144.9 secs Computing kpt #: 261 total cpu time spent up to now is 145.5 secs Computing kpt #: 262 total cpu time spent up to now is 146.0 secs Computing kpt #: 263 total cpu time spent up to now is 146.6 secs Computing kpt #: 264 total cpu time spent up to now is 147.1 secs Computing kpt #: 265 total cpu time spent up to now is 147.6 secs Computing kpt #: 266 total cpu time spent up to now is 148.2 secs Computing kpt #: 267 total cpu time spent up to now is 148.7 secs Computing kpt #: 268 total cpu time spent up to now is 149.2 secs Computing kpt #: 269 total cpu time spent up to now is 149.8 secs Computing kpt #: 270 total cpu time spent up to now is 150.3 secs Computing kpt #: 271 total cpu time spent up to now is 150.8 secs Computing kpt #: 272 total cpu time spent up to now is 151.3 secs Computing kpt #: 273 total cpu time spent up to now is 151.8 secs Computing kpt #: 274 total cpu time spent up to now is 152.4 secs Computing kpt #: 275 total cpu time spent up to now is 152.9 secs Computing kpt #: 276 total cpu time spent up to now is 153.4 secs Computing kpt #: 277 total cpu time spent up to now is 153.9 secs Computing kpt #: 278 total cpu time spent up to now is 154.5 secs Computing kpt #: 279 total cpu time spent up to now is 155.0 secs Computing kpt #: 280 total cpu time spent up to now is 155.5 secs Computing kpt #: 281 total cpu time spent up to now is 156.0 secs Computing kpt #: 282 total cpu time spent up to now is 156.5 secs Computing kpt #: 283 total cpu time spent up to now is 157.0 secs Computing kpt #: 284 total cpu time spent up to now is 157.5 secs Computing kpt #: 285 total cpu time spent up to now is 158.0 secs Computing kpt #: 286 total cpu time spent up to now is 158.6 secs Computing kpt #: 287 total cpu time spent up to now is 159.1 secs Computing kpt #: 288 total cpu time spent up to now is 159.6 secs Computing kpt #: 289 total cpu time spent up to now is 160.2 secs Computing kpt #: 290 total cpu time spent up to now is 160.7 secs Computing kpt #: 291 total cpu time spent up to now is 161.2 secs Computing kpt #: 292 total cpu time spent up to now is 161.8 secs Computing kpt #: 293 total cpu time spent up to now is 162.3 secs Computing kpt #: 294 total cpu time spent up to now is 162.8 secs Computing kpt #: 295 total cpu time spent up to now is 163.4 secs Computing kpt #: 296 total cpu time spent up to now is 163.9 secs Computing kpt #: 297 total cpu time spent up to now is 164.5 secs Computing kpt #: 298 total cpu time spent up to now is 165.0 secs Computing kpt #: 299 total cpu time spent up to now is 165.6 secs Computing kpt #: 300 total cpu time spent up to now is 166.2 secs Computing kpt #: 301 total cpu time spent up to now is 166.7 secs Computing kpt #: 302 total cpu time spent up to now is 167.3 secs Computing kpt #: 303 total cpu time spent up to now is 167.8 secs Computing kpt #: 304 total cpu time spent up to now is 168.4 secs Computing kpt #: 305 total cpu time spent up to now is 168.9 secs Computing kpt #: 306 total cpu time spent up to now is 169.4 secs Computing kpt #: 307 total cpu time spent up to now is 170.0 secs Computing kpt #: 308 total cpu time spent up to now is 170.5 secs Computing kpt #: 309 total cpu time spent up to now is 171.0 secs Computing kpt #: 310 total cpu time spent up to now is 171.5 secs Computing kpt #: 311 total cpu time spent up to now is 172.1 secs Computing kpt #: 312 total cpu time spent up to now is 172.6 secs Computing kpt #: 313 total cpu time spent up to now is 173.1 secs Computing kpt #: 314 total cpu time spent up to now is 173.6 secs Computing kpt #: 315 total cpu time spent up to now is 174.2 secs Computing kpt #: 316 total cpu time spent up to now is 174.9 secs Computing kpt #: 317 total cpu time spent up to now is 175.5 secs Computing kpt #: 318 total cpu time spent up to now is 176.0 secs Computing kpt #: 319 total cpu time spent up to now is 176.6 secs Computing kpt #: 320 total cpu time spent up to now is 177.1 secs Computing kpt #: 321 total cpu time spent up to now is 177.8 secs Computing kpt #: 322 total cpu time spent up to now is 178.5 secs Computing kpt #: 323 total cpu time spent up to now is 179.1 secs Computing kpt #: 324 total cpu time spent up to now is 179.7 secs Computing kpt #: 325 total cpu time spent up to now is 180.3 secs Computing kpt #: 326 total cpu time spent up to now is 180.8 secs Computing kpt #: 327 total cpu time spent up to now is 181.3 secs Computing kpt #: 328 total cpu time spent up to now is 181.9 secs Computing kpt #: 329 total cpu time spent up to now is 182.4 secs Computing kpt #: 330 total cpu time spent up to now is 182.8 secs Computing kpt #: 331 total cpu time spent up to now is 183.3 secs Computing kpt #: 332 total cpu time spent up to now is 183.8 secs Computing kpt #: 333 total cpu time spent up to now is 184.3 secs Computing kpt #: 334 total cpu time spent up to now is 184.8 secs Computing kpt #: 335 total cpu time spent up to now is 185.3 secs Computing kpt #: 336 total cpu time spent up to now is 185.7 secs Computing kpt #: 337 total cpu time spent up to now is 186.2 secs Computing kpt #: 338 total cpu time spent up to now is 186.6 secs Computing kpt #: 339 total cpu time spent up to now is 187.1 secs Computing kpt #: 340 total cpu time spent up to now is 187.6 secs Computing kpt #: 341 total cpu time spent up to now is 188.0 secs Computing kpt #: 342 total cpu time spent up to now is 188.5 secs Computing kpt #: 343 total cpu time spent up to now is 189.0 secs Computing kpt #: 344 total cpu time spent up to now is 189.4 secs Computing kpt #: 345 total cpu time spent up to now is 189.9 secs Computing kpt #: 346 total cpu time spent up to now is 190.4 secs Computing kpt #: 347 total cpu time spent up to now is 190.8 secs Computing kpt #: 348 total cpu time spent up to now is 191.2 secs Computing kpt #: 349 total cpu time spent up to now is 191.7 secs Computing kpt #: 350 total cpu time spent up to now is 192.1 secs ethr = 2.78E-08, avg # of iterations = 15.4 total cpu time spent up to now is 192.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6909 -4.6909 -4.6909 -4.6909 -4.2460 -4.2460 -4.2267 -4.2267 -4.2267 -4.2267 1.8966 1.8966 7.0683 7.0683 7.0683 7.0683 7.2074 7.2074 8.3271 8.3271 8.3271 8.3271 14.2540 14.2540 14.3385 14.3385 14.3385 14.3385 15.2226 15.2226 15.3440 15.3440 k = 0.0094-0.0054 0.0077 ( 6495 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7206 -35.7206 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6910 -4.6910 -4.6907 -4.6907 -4.2460 -4.2460 -4.2269 -4.2269 -4.2266 -4.2266 1.8977 1.8977 7.0675 7.0675 7.0692 7.0692 7.2075 7.2075 8.3253 8.3253 8.3280 8.3280 14.2462 14.2462 14.3261 14.3261 14.3346 14.3346 15.1885 15.1885 15.3658 15.3658 k = 0.0189-0.0109 0.0154 ( 6503 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7206 -35.7206 -35.3515 -35.3515 -34.4943 -34.4943 -34.4943 -34.4943 -4.6912 -4.6912 -4.6906 -4.6906 -4.2460 -4.2460 -4.2271 -4.2271 -4.2264 -4.2264 1.9010 1.9010 7.0668 7.0668 7.0706 7.0706 7.2078 7.2078 8.3217 8.3217 8.3288 8.3288 14.2195 14.2195 14.2906 14.2906 14.3266 14.3266 15.1206 15.1206 15.4040 15.4040 k = 0.0283-0.0163 0.0231 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4944 -34.4944 -34.4943 -34.4943 -4.6913 -4.6913 -4.6904 -4.6904 -4.2460 -4.2460 -4.2272 -4.2272 -4.2262 -4.2262 1.9065 1.9065 7.0659 7.0659 7.0725 7.0725 7.2083 7.2083 8.3160 8.3160 8.3299 8.3299 14.1705 14.1705 14.2351 14.2351 14.3200 14.3200 15.0440 15.0440 15.4467 15.4467 k = 0.0377-0.0218 0.0308 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4944 -34.4944 -34.4943 -34.4943 -4.6914 -4.6914 -4.6903 -4.6903 -4.2460 -4.2460 -4.2274 -4.2274 -4.2260 -4.2260 1.9142 1.9142 7.0648 7.0648 7.0750 7.0750 7.2092 7.2092 8.3082 8.3082 8.3313 8.3313 14.1013 14.1013 14.1634 14.1634 14.3150 14.3150 14.9656 14.9656 15.4943 15.4943 k = 0.0472-0.0272 0.0385 ( 6499 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3516 -35.3516 -34.4944 -34.4944 -34.4943 -34.4943 -4.6915 -4.6915 -4.6901 -4.6901 -4.2459 -4.2459 -4.2275 -4.2275 -4.2259 -4.2259 1.9241 1.9241 7.0632 7.0632 7.0782 7.0782 7.2104 7.2104 8.2983 8.2983 8.3331 8.3331 14.0163 14.0163 14.0789 14.0789 14.3091 14.3091 14.8886 14.8886 15.5461 15.5461 k = 0.0566-0.0327 0.0462 ( 6499 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3517 -35.3517 -34.4944 -34.4944 -34.4942 -34.4942 -4.6916 -4.6916 -4.6899 -4.6899 -4.2459 -4.2459 -4.2276 -4.2276 -4.2257 -4.2257 1.9362 1.9362 7.0613 7.0613 7.0821 7.0821 7.2120 7.2120 8.2863 8.2863 8.3353 8.3353 13.9195 13.9195 13.9845 13.9845 14.2988 14.2988 14.8161 14.8161 15.6011 15.6011 k = 0.0660-0.0381 0.0539 ( 6503 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3517 -35.3517 -34.4944 -34.4944 -34.4942 -34.4942 -4.6918 -4.6918 -4.6898 -4.6898 -4.2459 -4.2459 -4.2277 -4.2277 -4.2255 -4.2255 1.9505 1.9505 7.0587 7.0587 7.0866 7.0866 7.2142 7.2142 8.2725 8.2725 8.3379 8.3379 13.8138 13.8138 13.8823 13.8823 14.2800 14.2800 14.7518 14.7518 15.6586 15.6586 k = 0.0755-0.0436 0.0616 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3518 -35.3518 -34.4944 -34.4944 -34.4942 -34.4942 -4.6919 -4.6919 -4.6896 -4.6896 -4.2458 -4.2458 -4.2278 -4.2278 -4.2253 -4.2253 1.9670 1.9670 7.0554 7.0554 7.0919 7.0919 7.2171 7.2171 8.2568 8.2568 8.3409 8.3409 13.7016 13.7016 13.7739 13.7739 14.2478 14.2478 14.7002 14.7002 15.7180 15.7180 k = 0.0849-0.0490 0.0693 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3519 -35.3519 -34.4944 -34.4944 -34.4941 -34.4941 -4.6919 -4.6919 -4.6894 -4.6894 -4.2458 -4.2458 -4.2279 -4.2279 -4.2251 -4.2251 1.9856 1.9856 7.0514 7.0514 7.0980 7.0980 7.2208 7.2208 8.2395 8.2395 8.3442 8.3442 13.5845 13.5845 13.6607 13.6607 14.1983 14.1983 14.6646 14.6646 15.7791 15.7791 k = 0.0943-0.0545 0.0770 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7203 -35.7203 -35.3520 -35.3520 -34.4945 -34.4945 -34.4941 -34.4941 -4.6920 -4.6920 -4.6893 -4.6893 -4.2457 -4.2457 -4.2280 -4.2280 -4.2249 -4.2249 2.0063 2.0063 7.0466 7.0466 7.1048 7.1048 7.2253 7.2253 8.2206 8.2206 8.3479 8.3479 13.4637 13.4637 13.5437 13.5437 14.1307 14.1307 14.6454 14.6454 15.8417 15.8417 k = 0.1038-0.0599 0.0847 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7203 -35.7203 -35.3522 -35.3522 -34.4945 -34.4945 -34.4940 -34.4940 -4.6921 -4.6921 -4.6891 -4.6891 -4.2456 -4.2456 -4.2281 -4.2281 -4.2247 -4.2247 2.0292 2.0292 7.0407 7.0407 7.1124 7.1124 7.2307 7.2307 8.2004 8.2004 8.3519 8.3519 13.3402 13.3402 13.4238 13.4238 14.0471 14.0471 14.6399 14.6399 15.9058 15.9058 k = 0.1132-0.0654 0.0924 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7202 -35.7202 -35.3523 -35.3523 -34.4945 -34.4945 -34.4940 -34.4940 -4.6922 -4.6922 -4.6889 -4.6889 -4.2456 -4.2456 -4.2281 -4.2281 -4.2245 -4.2245 2.0543 2.0543 7.0339 7.0339 7.1208 7.1208 7.2371 7.2371 8.1790 8.1790 8.3562 8.3562 13.2148 13.2148 13.3018 13.3018 13.9508 13.9508 14.6445 14.6445 15.9706 15.9706 k = 0.1226-0.0708 0.1001 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7202 -35.7202 -35.3524 -35.3524 -34.4945 -34.4945 -34.4939 -34.4939 -4.6922 -4.6922 -4.6888 -4.6888 -4.2455 -4.2455 -4.2281 -4.2281 -4.2243 -4.2243 2.0814 2.0814 7.0261 7.0261 7.1301 7.1301 7.2446 7.2446 8.1565 8.1565 8.3609 8.3609 13.0880 13.0880 13.1781 13.1781 13.8444 13.8444 14.6561 14.6561 16.0344 16.0344 k = 0.1321-0.0763 0.1078 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7201 -35.7201 -35.3526 -35.3526 -34.4946 -34.4946 -34.4939 -34.4939 -4.6923 -4.6923 -4.6886 -4.6886 -4.2454 -4.2454 -4.2282 -4.2282 -4.2241 -4.2241 2.1106 2.1106 7.0171 7.0171 7.1402 7.1402 7.2532 7.2532 8.1332 8.1332 8.3659 8.3659 12.9604 12.9604 13.0532 13.0532 13.7298 13.7298 14.6725 14.6725 16.0868 16.0868 k = 0.1415-0.0817 0.1155 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7200 -35.7200 -35.3527 -35.3527 -34.4946 -34.4946 -34.4938 -34.4938 -4.6923 -4.6923 -4.6884 -4.6884 -4.2453 -4.2453 -4.2282 -4.2282 -4.2238 -4.2238 2.1418 2.1418 7.0070 7.0070 7.1512 7.1512 7.2629 7.2629 8.1093 8.1093 8.3712 8.3712 12.8324 12.8324 12.9277 12.9277 13.6083 13.6083 14.6924 14.6924 16.0830 16.0830 k = 0.1509-0.0871 0.1232 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7199 -35.7199 -35.3529 -35.3529 -34.4946 -34.4946 -34.4937 -34.4937 -4.6923 -4.6923 -4.6883 -4.6883 -4.2452 -4.2452 -4.2282 -4.2282 -4.2236 -4.2236 2.1751 2.1751 6.9957 6.9957 7.1631 7.1631 7.2737 7.2737 8.0850 8.0850 8.3768 8.3768 12.7041 12.7041 12.8017 12.8017 13.4809 13.4809 14.7146 14.7146 16.0200 16.0200 k = 0.1604-0.0926 0.1309 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7199 -35.7199 -35.3531 -35.3531 -34.4947 -34.4947 -34.4937 -34.4937 -4.6924 -4.6924 -4.6881 -4.6881 -4.2451 -4.2451 -4.2282 -4.2282 -4.2234 -4.2234 2.2104 2.2104 6.9831 6.9831 7.1759 7.1759 7.2857 7.2857 8.0606 8.0606 8.3826 8.3826 12.5760 12.5760 12.6757 12.6757 13.3481 13.3481 14.7385 14.7385 15.9446 15.9446 k = 0.1698-0.0980 0.1387 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7198 -35.7198 -35.3533 -35.3533 -34.4947 -34.4947 -34.4936 -34.4936 -4.6924 -4.6924 -4.6880 -4.6880 -4.2451 -4.2451 -4.2282 -4.2282 -4.2232 -4.2232 2.2477 2.2477 6.9693 6.9693 7.1896 7.1896 7.2988 7.2988 8.0361 8.0361 8.3887 8.3887 12.4482 12.4482 12.5497 12.5497 13.2108 13.2108 14.7633 14.7633 15.8691 15.8691 k = 0.1792-0.1035 0.1464 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3918 -35.7197 -35.7197 -35.3534 -35.3534 -34.4947 -34.4947 -34.4935 -34.4935 -4.6924 -4.6924 -4.6878 -4.6878 -4.2450 -4.2450 -4.2282 -4.2282 -4.2230 -4.2230 2.2869 2.2869 6.9542 6.9542 7.2044 7.2044 7.3131 7.3131 8.0120 8.0120 8.3950 8.3950 12.3210 12.3210 12.4242 12.4242 13.0695 13.0695 14.7887 14.7887 15.7969 15.7969 k = 0.1887-0.1089 0.1541 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3918 -35.7196 -35.7196 -35.3536 -35.3536 -34.4948 -34.4948 -34.4935 -34.4935 -4.6924 -4.6924 -4.6877 -4.6877 -4.2449 -4.2449 -4.2282 -4.2282 -4.2228 -4.2228 2.3280 2.3280 6.9377 6.9377 7.2201 7.2201 7.3286 7.3286 7.9883 7.9883 8.4015 8.4015 12.1945 12.1945 12.2992 12.2992 12.9248 12.9248 14.8142 14.8142 15.7291 15.7291 k = 0.1981-0.1144 0.1618 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3919 -38.3919 -35.7195 -35.7195 -35.3538 -35.3538 -34.4948 -34.4948 -34.4934 -34.4934 -4.6923 -4.6923 -4.6875 -4.6875 -4.2448 -4.2448 -4.2281 -4.2281 -4.2226 -4.2226 2.3709 2.3709 6.9197 6.9197 7.2368 7.2368 7.3453 7.3453 7.9655 7.9655 8.4082 8.4082 12.0688 12.0688 12.1748 12.1748 12.7773 12.7773 14.8394 14.8394 15.6662 15.6662 k = 0.2075-0.1198 0.1695 ( 6514 PWs) bands (ev): -67.7734 -67.7734 -38.3919 -38.3919 -35.7194 -35.7194 -35.3540 -35.3540 -34.4949 -34.4949 -34.4933 -34.4933 -4.6923 -4.6923 -4.6874 -4.6874 -4.2447 -4.2447 -4.2281 -4.2281 -4.2223 -4.2223 2.4157 2.4157 6.9003 6.9003 7.2546 7.2546 7.3632 7.3632 7.9436 7.9436 8.4151 8.4151 11.9441 11.9441 12.0514 12.0514 12.6277 12.6277 14.8639 14.8639 15.6086 15.6086 k = 0.2170-0.1253 0.1772 ( 6498 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3920 -35.7193 -35.7193 -35.3542 -35.3542 -34.4949 -34.4949 -34.4932 -34.4932 -4.6923 -4.6923 -4.6873 -4.6873 -4.2446 -4.2446 -4.2280 -4.2280 -4.2221 -4.2221 2.4622 2.4622 6.8793 6.8793 7.2733 7.2733 7.3823 7.3823 7.9229 7.9229 8.4221 8.4221 11.8204 11.8204 11.9289 11.9289 12.4764 12.4764 14.8872 14.8872 15.5563 15.5563 k = 0.2264-0.1307 0.1849 ( 6498 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3920 -35.7192 -35.7192 -35.3544 -35.3544 -34.4949 -34.4949 -34.4932 -34.4932 -4.6922 -4.6922 -4.6871 -4.6871 -4.2445 -4.2445 -4.2280 -4.2280 -4.2219 -4.2219 2.5104 2.5104 6.8568 6.8568 7.2931 7.2931 7.4027 7.4027 7.9037 7.9037 8.4292 8.4292 11.6980 11.6980 11.8075 11.8075 12.3240 12.3240 14.9089 14.9089 15.5095 15.5095 k = 0.2358-0.1362 0.1926 ( 6482 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3921 -35.7191 -35.7191 -35.3546 -35.3546 -34.4950 -34.4950 -34.4931 -34.4931 -4.6922 -4.6922 -4.6870 -4.6870 -4.2444 -4.2444 -4.2279 -4.2279 -4.2217 -4.2217 2.5603 2.5603 6.8325 6.8325 7.3139 7.3139 7.4242 7.4242 7.8863 7.8863 8.4365 8.4365 11.5768 11.5768 11.6874 11.6874 12.1711 12.1711 14.9285 14.9285 15.4684 15.4684 k = 0.2453-0.1416 0.2003 ( 6486 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3921 -35.7190 -35.7190 -35.3548 -35.3548 -34.4950 -34.4950 -34.4930 -34.4930 -4.6921 -4.6921 -4.6869 -4.6869 -4.2443 -4.2443 -4.2279 -4.2279 -4.2214 -4.2214 2.6117 2.6117 6.8066 6.8066 7.3358 7.3358 7.4469 7.4469 7.8707 7.8707 8.4438 8.4438 11.4569 11.4569 11.5685 11.5685 12.0181 12.0181 14.9455 14.9455 15.4331 15.4331 k = 0.2547-0.1471 0.2080 ( 6486 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3922 -35.7189 -35.7189 -35.3551 -35.3551 -34.4951 -34.4951 -34.4930 -34.4930 -4.6920 -4.6920 -4.6868 -4.6868 -4.2442 -4.2442 -4.2278 -4.2278 -4.2212 -4.2212 2.6646 2.6646 6.7790 6.7790 7.3586 7.3586 7.4709 7.4709 7.8572 7.8572 8.4512 8.4512 11.3384 11.3384 11.4510 11.4510 11.8656 11.8656 14.9592 14.9592 15.4039 15.4039 k = 0.2642-0.1525 0.2157 ( 6478 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3922 -35.7188 -35.7188 -35.3553 -35.3553 -34.4951 -34.4951 -34.4929 -34.4929 -4.6919 -4.6919 -4.6867 -4.6867 -4.2441 -4.2441 -4.2278 -4.2278 -4.2210 -4.2210 2.7189 2.7189 6.7496 6.7496 7.3825 7.3825 7.4960 7.4960 7.8461 7.8461 8.4586 8.4586 11.2213 11.2213 11.3350 11.3350 11.7140 11.7140 14.9691 14.9691 15.3811 15.3811 k = 0.2736-0.1580 0.2234 ( 6506 PWs) bands (ev): -67.7734 -67.7734 -38.3923 -38.3923 -35.7187 -35.7187 -35.3555 -35.3555 -34.4952 -34.4952 -34.4928 -34.4928 -4.6918 -4.6918 -4.6867 -4.6867 -4.2440 -4.2440 -4.2277 -4.2277 -4.2207 -4.2207 2.7744 2.7744 6.7186 6.7186 7.4073 7.4073 7.5222 7.5222 7.8376 7.8376 8.4660 8.4660 11.1057 11.1057 11.2206 11.2206 11.5637 11.5637 14.9749 14.9749 15.3646 15.3646 k = 0.2830-0.1634 0.2311 ( 6506 PWs) bands (ev): -67.7733 -67.7733 -38.3923 -38.3923 -35.7186 -35.7186 -35.3557 -35.3557 -34.4952 -34.4952 -34.4927 -34.4927 -4.6917 -4.6917 -4.6866 -4.6866 -4.2438 -4.2438 -4.2277 -4.2277 -4.2205 -4.2205 2.8312 2.8312 6.6859 6.6859 7.4329 7.4329 7.5496 7.5496 7.8317 7.8317 8.4734 8.4734 10.9917 10.9917 11.1078 11.1078 11.4152 11.4152 14.9764 14.9764 15.3543 15.3543 k = 0.2925-0.1688 0.2388 ( 6502 PWs) bands (ev): -67.7733 -67.7733 -38.3924 -38.3924 -35.7185 -35.7185 -35.3559 -35.3559 -34.4952 -34.4952 -34.4927 -34.4927 -4.6916 -4.6916 -4.6865 -4.6865 -4.2437 -4.2437 -4.2276 -4.2276 -4.2203 -4.2203 2.8891 2.8891 6.6516 6.6516 7.4594 7.4594 7.5780 7.5780 7.8288 7.8288 8.4807 8.4807 10.8792 10.8792 10.9967 10.9967 11.2689 11.2689 14.9739 14.9739 15.3496 15.3496 k = 0.3019-0.1743 0.2465 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3924 -38.3924 -35.7184 -35.7184 -35.3561 -35.3561 -34.4953 -34.4953 -34.4926 -34.4926 -4.6915 -4.6915 -4.6865 -4.6865 -4.2436 -4.2436 -4.2276 -4.2276 -4.2201 -4.2201 2.9479 2.9479 6.6158 6.6158 7.4867 7.4867 7.6073 7.6073 7.8291 7.8291 8.4881 8.4881 10.7683 10.7683 10.8874 10.8874 11.1252 11.1252 14.9681 14.9681 15.3499 15.3499 k = 0.3113-0.1797 0.2542 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7183 -35.7183 -35.3563 -35.3563 -34.4953 -34.4953 -34.4926 -34.4926 -4.6914 -4.6914 -4.6864 -4.6864 -4.2435 -4.2435 -4.2275 -4.2275 -4.2198 -4.2198 3.0075 3.0075 6.5786 6.5786 7.5145 7.5145 7.6375 7.6375 7.8327 7.8327 8.4953 8.4953 10.6589 10.6589 10.7800 10.7800 10.9845 10.9845 14.9596 14.9596 15.3539 15.3539 k = 0.3208-0.1852 0.2619 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7182 -35.7182 -35.3565 -35.3565 -34.4954 -34.4954 -34.4925 -34.4925 -4.6913 -4.6913 -4.6864 -4.6864 -4.2434 -4.2434 -4.2275 -4.2275 -4.2196 -4.2196 3.0677 3.0677 6.5400 6.5400 7.5427 7.5427 7.6684 7.6684 7.8399 7.8399 8.5025 8.5025 10.5511 10.5511 10.6745 10.6745 10.8473 10.8473 14.9493 14.9493 15.3609 15.3609 k = 0.3302-0.1906 0.2696 ( 6518 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7181 -35.7181 -35.3567 -35.3567 -34.4954 -34.4954 -34.4924 -34.4924 -4.6911 -4.6911 -4.6864 -4.6864 -4.2433 -4.2433 -4.2275 -4.2275 -4.2194 -4.2194 3.1284 3.1284 6.5003 6.5003 7.5713 7.5713 7.6999 7.6999 7.8511 7.8511 8.5095 8.5095 10.4448 10.4448 10.5710 10.5710 10.7139 10.7139 14.9379 14.9379 15.3699 15.3699 k = 0.3396-0.1961 0.2773 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7180 -35.7180 -35.3569 -35.3569 -34.4954 -34.4954 -34.4924 -34.4924 -4.6910 -4.6910 -4.6864 -4.6864 -4.2432 -4.2432 -4.2275 -4.2275 -4.2192 -4.2192 3.1894 3.1894 6.4596 6.4596 7.6000 7.6000 7.7316 7.7316 7.8664 7.8664 8.5165 8.5165 10.3401 10.3401 10.4696 10.4696 10.5848 10.5848 14.9259 14.9259 15.3802 15.3802 k = 0.3491-0.2015 0.2850 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3927 -35.7179 -35.7179 -35.3571 -35.3571 -34.4955 -34.4955 -34.4923 -34.4923 -4.6908 -4.6908 -4.6864 -4.6864 -4.2431 -4.2431 -4.2274 -4.2274 -4.2189 -4.2189 3.2503 3.2503 6.4181 6.4181 7.6285 7.6285 7.7636 7.7636 7.8859 7.8859 8.5233 8.5233 10.2368 10.2368 10.3703 10.3703 10.4604 10.4604 14.9138 14.9138 15.3913 15.3913 k = 0.3585-0.2070 0.2927 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3927 -35.7178 -35.7178 -35.3573 -35.3573 -34.4955 -34.4955 -34.4923 -34.4923 -4.6907 -4.6907 -4.6864 -4.6864 -4.2429 -4.2429 -4.2274 -4.2274 -4.2187 -4.2187 3.3110 3.3110 6.3761 6.3761 7.6568 7.6568 7.7958 7.7958 7.9097 7.9097 8.5300 8.5300 10.1351 10.1351 10.2733 10.2733 10.3412 10.3412 14.9019 14.9019 15.4027 15.4027 k = 0.3679-0.2124 0.3004 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3927 -35.7177 -35.7177 -35.3575 -35.3575 -34.4955 -34.4955 -34.4922 -34.4922 -4.6905 -4.6905 -4.6864 -4.6864 -4.2428 -4.2428 -4.2274 -4.2274 -4.2185 -4.2185 3.3712 3.3712 6.3336 6.3336 7.6848 7.6848 7.8281 7.8281 7.9375 7.9375 8.5365 8.5365 10.0351 10.0351 10.1786 10.1786 10.2276 10.2276 14.8904 14.8904 15.4141 15.4141 k = 0.3774-0.2179 0.3081 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3928 -35.7176 -35.7176 -35.3576 -35.3576 -34.4956 -34.4956 -34.4922 -34.4922 -4.6903 -4.6903 -4.6864 -4.6864 -4.2427 -4.2427 -4.2274 -4.2274 -4.2184 -4.2184 3.4306 3.4306 6.2911 6.2911 7.7124 7.7124 7.8609 7.8609 7.9688 7.9688 8.5429 8.5429 9.9370 9.9370 10.0862 10.0862 10.1201 10.1201 14.8795 14.8795 15.4252 15.4252 k = 0.3868-0.2233 0.3158 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3928 -35.7175 -35.7175 -35.3578 -35.3578 -34.4956 -34.4956 -34.4922 -34.4922 -4.6902 -4.6902 -4.6865 -4.6865 -4.2426 -4.2426 -4.2274 -4.2274 -4.2182 -4.2182 3.4887 3.4887 6.2489 6.2489 7.7397 7.7397 7.8940 7.8940 8.0029 8.0029 8.5492 8.5492 9.8412 9.8412 9.9958 9.9958 10.0191 10.0191 14.8692 14.8692 15.4359 15.4359 k = 0.3962-0.2288 0.3235 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3928 -35.7175 -35.7175 -35.3579 -35.3579 -34.4956 -34.4956 -34.4921 -34.4921 -4.6900 -4.6900 -4.6865 -4.6865 -4.2425 -4.2425 -4.2274 -4.2274 -4.2180 -4.2180 3.5452 3.5452 6.2072 6.2072 7.7667 7.7667 7.9276 7.9276 8.0393 8.0393 8.5553 8.5553 9.7483 9.7483 9.9072 9.9072 9.9253 9.9253 14.8596 14.8596 15.4461 15.4461 k = 0.4057-0.2342 0.3312 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3929 -35.7174 -35.7174 -35.3580 -35.3580 -34.4956 -34.4956 -34.4921 -34.4921 -4.6899 -4.6899 -4.6866 -4.6866 -4.2425 -4.2425 -4.2274 -4.2274 -4.2178 -4.2178 3.5997 3.5997 6.1665 6.1665 7.7934 7.7934 7.9616 7.9616 8.0771 8.0771 8.5614 8.5614 9.6592 9.6592 9.8205 9.8205 9.8387 9.8387 14.8509 14.8509 15.4555 15.4555 k = 0.4151-0.2397 0.3389 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3929 -35.7173 -35.7173 -35.3582 -35.3582 -34.4957 -34.4957 -34.4921 -34.4921 -4.6897 -4.6897 -4.6866 -4.6866 -4.2424 -4.2424 -4.2274 -4.2274 -4.2177 -4.2177 3.6516 3.6516 6.1273 6.1273 7.8198 7.8198 7.9954 7.9954 8.1157 8.1157 8.5673 8.5673 9.5747 9.5747 9.7373 9.7373 9.7580 9.7580 14.8429 14.8429 15.4643 15.4643 k = 0.4245-0.2451 0.3466 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3929 -35.7173 -35.7173 -35.3583 -35.3583 -34.4957 -34.4957 -34.4920 -34.4920 -4.6895 -4.6895 -4.6867 -4.6867 -4.2423 -4.2423 -4.2274 -4.2274 -4.2176 -4.2176 3.7005 3.7005 6.0899 6.0899 7.8459 7.8459 8.0288 8.0288 8.1544 8.1544 8.5731 8.5731 9.4957 9.4957 9.6590 9.6590 9.6824 9.6824 14.8358 14.8358 15.4722 15.4722 k = 0.4340-0.2505 0.3543 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3929 -35.7172 -35.7172 -35.3584 -35.3584 -34.4957 -34.4957 -34.4920 -34.4920 -4.6894 -4.6894 -4.6868 -4.6868 -4.2422 -4.2422 -4.2274 -4.2274 -4.2174 -4.2174 3.7457 3.7457 6.0550 6.0550 7.8713 7.8713 8.0610 8.0610 8.1925 8.1925 8.5788 8.5788 9.4232 9.4232 9.5863 9.5863 9.6120 9.6120 14.8295 14.8295 15.4793 15.4793 k = 0.4434-0.2560 0.3620 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7172 -35.7172 -35.3584 -35.3584 -34.4957 -34.4957 -34.4920 -34.4920 -4.6892 -4.6892 -4.6868 -4.6868 -4.2422 -4.2422 -4.2274 -4.2274 -4.2173 -4.2173 3.7866 3.7866 6.0231 6.0231 7.8956 7.8956 8.0914 8.0914 8.2290 8.2290 8.5844 8.5844 9.3583 9.3583 9.5199 9.5199 9.5471 9.5471 14.8241 14.8241 15.4855 15.4855 k = 0.4528-0.2614 0.3697 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7171 -35.7171 -35.3585 -35.3585 -34.4957 -34.4957 -34.4920 -34.4920 -4.6891 -4.6891 -4.6869 -4.6869 -4.2421 -4.2421 -4.2274 -4.2274 -4.2173 -4.2173 3.8227 3.8227 5.9948 5.9948 7.9183 7.9183 8.1192 8.1192 8.2631 8.2631 8.5898 8.5898 9.3019 9.3019 9.4606 9.4606 9.4888 9.4888 14.8195 14.8195 15.4907 15.4907 k = 0.4623-0.2669 0.3774 ( 6518 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7171 -35.7171 -35.3586 -35.3586 -34.4957 -34.4957 -34.4920 -34.4920 -4.6890 -4.6890 -4.6870 -4.6870 -4.2421 -4.2421 -4.2274 -4.2274 -4.2172 -4.2172 3.8533 3.8533 5.9706 5.9706 7.9387 7.9387 8.1435 8.1435 8.2936 8.2936 8.5948 8.5948 9.2549 9.2549 9.4092 9.4092 9.4379 9.4379 14.8157 14.8157 15.4951 15.4951 k = 0.4717-0.2723 0.3851 ( 6510 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3586 -35.3586 -34.4958 -34.4958 -34.4919 -34.4919 -4.6889 -4.6889 -4.6870 -4.6870 -4.2420 -4.2420 -4.2274 -4.2274 -4.2171 -4.2171 3.8777 3.8777 5.9511 5.9511 7.9559 7.9559 8.1634 8.1634 8.3191 8.3191 8.5992 8.5992 9.2182 9.2182 9.3670 9.3670 9.3959 9.3959 14.8128 14.8128 15.4985 15.4985 k = 0.4811-0.2778 0.3928 ( 6518 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3586 -35.3586 -34.4958 -34.4958 -34.4919 -34.4919 -4.6888 -4.6888 -4.6871 -4.6871 -4.2420 -4.2420 -4.2274 -4.2274 -4.2171 -4.2171 3.8956 3.8956 5.9368 5.9368 7.9690 7.9690 8.1783 8.1783 8.3385 8.3385 8.6028 8.6028 9.1920 9.1920 9.3354 9.3354 9.3644 9.3644 14.8107 14.8107 15.5009 15.5009 k = 0.4906-0.2832 0.4005 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3587 -35.3587 -34.4958 -34.4958 -34.4919 -34.4919 -4.6887 -4.6887 -4.6871 -4.6871 -4.2420 -4.2420 -4.2274 -4.2274 -4.2171 -4.2171 3.9065 3.9065 5.9280 5.9280 7.9772 7.9772 8.1875 8.1875 8.3506 8.3506 8.6051 8.6051 9.1764 9.1764 9.3157 9.3157 9.3447 9.3447 14.8094 14.8094 15.5023 15.5023 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3587 -35.3587 -34.4958 -34.4958 -34.4919 -34.4919 -4.6887 -4.6887 -4.6871 -4.6871 -4.2420 -4.2420 -4.2274 -4.2274 -4.2170 -4.2170 3.9102 3.9102 5.9251 5.9251 7.9800 7.9800 8.1907 8.1907 8.3548 8.3548 8.6059 8.6059 9.1712 9.1712 9.3090 9.3090 9.3380 9.3380 14.8090 14.8090 15.5028 15.5028 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3587 -35.3587 -34.4958 -34.4958 -34.4919 -34.4919 -4.6887 -4.6887 -4.6871 -4.6871 -4.2420 -4.2420 -4.2274 -4.2274 -4.2170 -4.2170 3.9102 3.9102 5.9251 5.9251 7.9800 7.9800 8.1907 8.1907 8.3548 8.3548 8.6059 8.6059 9.1712 9.1712 9.3090 9.3090 9.3380 9.3380 14.8090 14.8090 15.5028 15.5028 k = 0.5000-0.2780 0.4158 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3588 -35.3585 -34.4958 -34.4958 -34.4921 -34.4918 -4.6888 -4.6887 -4.6874 -4.6869 -4.2421 -4.2419 -4.2277 -4.2272 -4.2172 -4.2169 3.9093 3.9109 5.9259 5.9267 7.9710 7.9876 8.1871 8.1932 8.3548 8.3553 8.5898 8.6161 9.1325 9.1705 9.3122 9.3217 9.3297 9.3759 14.8106 14.8114 15.5059 15.5060 k = 0.5000-0.2673 0.4234 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3930 -35.7170 -35.7170 -35.3590 -35.3583 -34.4958 -34.4958 -34.4922 -34.4916 -4.6889 -4.6887 -4.6876 -4.6866 -4.2422 -4.2417 -4.2279 -4.2269 -4.2174 -4.2168 3.9083 3.9113 5.9291 5.9307 7.9607 7.9933 8.1813 8.1956 8.3547 8.3568 8.5674 8.6211 9.0845 9.1325 9.3113 9.3248 9.3744 9.4341 14.8160 14.8176 15.5152 15.5153 k = 0.5000-0.2566 0.4309 ( 6506 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3930 -35.7170 -35.7170 -35.3592 -35.3581 -34.4958 -34.4958 -34.4924 -34.4914 -4.6891 -4.6887 -4.6877 -4.6863 -4.2423 -4.2416 -4.2282 -4.2266 -4.2176 -4.2166 3.9070 3.9115 5.9347 5.9371 7.9494 7.9971 8.1720 8.1982 8.3540 8.3599 8.5387 8.6216 9.0390 9.0859 9.3082 9.3234 9.4380 9.4993 14.8254 14.8276 15.5307 15.5309 k = 0.5000-0.2459 0.4385 ( 6518 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3594 -35.3580 -34.4958 -34.4958 -34.4925 -34.4913 -4.6893 -4.6887 -4.6878 -4.6860 -4.2425 -4.2415 -4.2284 -4.2263 -4.2178 -4.2165 3.9055 3.9115 5.9427 5.9458 7.9372 7.9988 8.1580 8.2007 8.3519 8.3650 8.5049 8.6182 8.9993 9.0409 9.3037 9.3214 9.5063 9.5670 14.8386 14.8415 15.5524 15.5528 k = 0.5000-0.2352 0.4460 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3595 -35.3578 -34.4958 -34.4958 -34.4926 -34.4911 -4.6895 -4.6888 -4.6878 -4.6857 -4.2426 -4.2414 -4.2286 -4.2260 -4.2180 -4.2164 3.9039 3.9113 5.9531 5.9570 7.9241 7.9985 8.1383 8.2012 8.3470 8.3722 8.4695 8.6117 8.9662 9.0009 9.2981 9.3186 9.5763 9.6357 14.8557 14.8593 15.5804 15.5808 k = 0.5000-0.2245 0.4536 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3597 -35.3576 -34.4959 -34.4958 -34.4928 -34.4909 -4.6898 -4.6888 -4.6878 -4.6854 -4.2427 -4.2412 -4.2288 -4.2258 -4.2182 -4.2164 3.9021 3.9110 5.9659 5.9706 7.9101 7.9964 8.1126 8.1959 8.3382 8.3814 8.4388 8.6031 8.9395 8.9668 9.2915 9.3150 9.6464 9.7043 14.8766 14.8808 15.6145 15.6150 k = 0.5000-0.2138 0.4612 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3929 -35.7170 -35.7170 -35.3599 -35.3575 -34.4959 -34.4958 -34.4929 -34.4907 -4.6901 -4.6888 -4.6878 -4.6851 -4.2428 -4.2411 -4.2290 -4.2255 -4.2185 -4.2163 3.9001 3.9104 5.9811 5.9866 7.8945 7.9927 8.0811 8.1773 8.3281 8.3923 8.4186 8.5937 8.9181 8.9389 9.2840 9.3103 9.7159 9.7722 14.9014 14.9062 15.6548 15.6554 k = 0.5000-0.2031 0.4687 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3929 -35.7170 -35.7170 -35.3600 -35.3573 -34.4960 -34.4958 -34.4929 -34.4906 -4.6904 -4.6889 -4.6878 -4.6848 -4.2429 -4.2410 -4.2292 -4.2252 -4.2187 -4.2163 3.8980 3.9097 5.9986 6.0049 7.8766 7.9877 8.0452 8.1399 8.3239 8.4043 8.4088 8.5847 8.9011 8.9165 9.2755 9.3047 9.7841 9.8388 14.9300 14.9352 15.7013 15.7020 k = 0.5000-0.1925 0.4763 ( 6532 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7170 -35.7170 -35.3602 -35.3572 -34.4960 -34.4959 -34.4930 -34.4904 -4.6906 -4.6889 -4.6878 -4.6845 -4.2430 -4.2409 -4.2294 -4.2249 -4.2190 -4.2163 3.8958 3.9088 6.0185 6.0257 7.8547 7.9812 8.0072 8.0867 8.3277 8.4055 8.4168 8.5774 8.8874 8.8989 9.2662 9.2981 9.8506 9.9037 14.9624 14.9679 15.7538 15.7546 k = 0.5000-0.1818 0.4838 ( 6544 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3603 -35.3570 -34.4961 -34.4959 -34.4931 -34.4902 -4.6909 -4.6889 -4.6878 -4.6842 -4.2431 -4.2408 -4.2296 -4.2246 -4.2192 -4.2163 3.8936 3.9078 6.0407 6.0488 7.8259 7.9708 7.9712 8.0261 8.3365 8.4065 8.4291 8.5727 8.8761 8.8852 9.2560 9.2904 9.9148 9.9665 14.9984 15.0042 15.8124 15.8133 k = 0.5000-0.1711 0.4914 ( 6548 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3605 -35.3569 -34.4962 -34.4959 -34.4931 -34.4901 -4.6912 -4.6890 -4.6877 -4.6839 -4.2432 -4.2406 -4.2297 -4.2242 -4.2195 -4.2163 3.8913 3.9067 6.0653 6.0742 7.7875 7.9377 7.9397 7.9828 8.3470 8.4113 8.4402 8.5716 8.8668 8.8745 9.2449 9.2816 9.9766 10.0269 15.0381 15.0440 15.8769 15.8779 k = 0.5000-0.1604 0.4990 ( 6552 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3606 -35.3568 -34.4962 -34.4959 -34.4932 -34.4899 -4.6914 -4.6890 -4.6877 -4.6836 -4.2433 -4.2405 -4.2299 -4.2239 -4.2197 -4.2163 3.8889 3.9055 6.0922 6.1020 7.7391 7.8703 7.9154 7.9698 8.3566 8.4203 8.4493 8.5747 8.8588 8.8662 9.2330 9.2718 10.0357 10.0847 15.0812 15.0871 15.9472 15.9483 k = 0.5000-0.1497 0.5065 ( 6554 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3928 -35.7171 -35.7171 -35.3607 -35.3566 -34.4963 -34.4959 -34.4932 -34.4898 -4.6917 -4.6891 -4.6877 -4.6834 -4.2434 -4.2404 -4.2300 -4.2236 -4.2200 -4.2163 3.8866 3.9043 6.1213 6.1321 7.6827 7.7960 7.8968 7.9619 8.3641 8.4337 8.4561 8.5822 8.8519 8.8598 9.2204 9.2610 10.0918 10.1396 15.1277 15.1334 16.0231 16.0244 k = 0.5000-0.1390 0.5141 ( 6566 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3928 -35.7171 -35.7171 -35.3609 -35.3565 -34.4964 -34.4959 -34.4932 -34.4897 -4.6919 -4.6891 -4.6877 -4.6831 -4.2435 -4.2403 -4.2301 -4.2233 -4.2203 -4.2164 3.8842 3.9030 6.1528 6.1645 7.6209 7.7199 7.8821 7.9549 8.3692 8.4511 8.4604 8.5938 8.8457 8.8549 9.2070 9.2492 10.1446 10.1914 15.1773 15.1827 16.1044 16.1059 k = 0.5000-0.1283 0.5217 ( 6558 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3928 -35.7171 -35.7171 -35.3610 -35.3564 -34.4965 -34.4959 -34.4933 -34.4895 -4.6921 -4.6891 -4.6876 -4.6829 -4.2436 -4.2402 -4.2303 -4.2230 -4.2205 -4.2165 3.8819 3.9017 6.1865 6.1992 7.5556 7.6433 7.8701 7.9484 8.3727 8.4630 8.4712 8.6086 8.8400 8.8513 9.1931 9.2363 10.1941 10.2398 15.2297 15.2346 16.1908 16.1925 k = 0.5000-0.1176 0.5292 ( 6560 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7171 -35.7171 -35.3611 -35.3563 -34.4966 -34.4960 -34.4933 -34.4894 -4.6923 -4.6892 -4.6876 -4.6827 -4.2437 -4.2401 -4.2304 -4.2228 -4.2207 -4.2165 3.8797 3.9004 6.2224 6.2362 7.4883 7.5667 7.8599 7.9423 8.3750 8.4642 8.4930 8.6256 8.8346 8.8488 9.1787 9.2226 10.2400 10.2849 15.2845 15.2888 16.2819 16.2838 k = 0.5000-0.1069 0.5368 ( 6564 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7171 -35.7171 -35.3612 -35.3562 -34.4966 -34.4960 -34.4933 -34.4893 -4.6925 -4.6892 -4.6876 -4.6825 -4.2438 -4.2400 -4.2305 -4.2225 -4.2210 -4.2166 3.8776 3.8991 6.2606 6.2754 7.4199 7.4905 7.8512 7.9366 8.3767 8.4646 8.5161 8.6439 8.8294 8.8473 9.1639 9.2080 10.2823 10.3263 15.3414 15.3448 16.3772 16.3794 k = 0.5000-0.0962 0.5443 ( 6574 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7171 -35.7171 -35.3613 -35.3561 -34.4967 -34.4960 -34.4933 -34.4892 -4.6927 -4.6892 -4.6876 -4.6823 -4.2438 -4.2399 -4.2306 -4.2222 -4.2212 -4.2167 3.8756 3.8979 6.3009 6.3168 7.3511 7.4151 7.8435 7.9314 8.3780 8.4646 8.5398 8.6628 8.8241 8.8470 9.1490 9.1928 10.3208 10.3641 15.3998 15.4021 16.4760 16.4785 k = 0.5000-0.0855 0.5519 ( 6574 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7171 -35.7171 -35.3614 -35.3560 -34.4968 -34.4960 -34.4933 -34.4891 -4.6929 -4.6892 -4.6876 -4.6822 -4.2439 -4.2398 -4.2306 -4.2219 -4.2214 -4.2168 3.8738 3.8967 6.3433 6.3604 7.2823 7.3407 7.8368 7.9266 8.3790 8.4644 8.5637 8.6814 8.8187 8.8478 9.1341 9.1769 10.3554 10.3981 15.4588 15.4599 16.5775 16.5804 k = 0.5000-0.0748 0.5595 ( 6574 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7171 -35.7171 -35.3614 -35.3559 -34.4968 -34.4960 -34.4933 -34.4890 -4.6930 -4.6893 -4.6875 -4.6820 -4.2440 -4.2397 -4.2307 -4.2217 -4.2216 -4.2170 3.8721 3.8957 6.3879 6.4062 7.2139 7.2674 7.8311 7.9223 8.3798 8.4641 8.5877 8.6992 8.8129 8.8500 9.1195 9.1607 10.3861 10.4282 15.5172 15.5175 16.6804 16.6838 k = 0.5000-0.0642 0.5670 ( 6580 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7171 -35.7171 -35.3615 -35.3559 -34.4969 -34.4960 -34.4933 -34.4890 -4.6931 -4.6893 -4.6875 -4.6819 -4.2440 -4.2396 -4.2308 -4.2217 -4.2214 -4.2171 3.8706 3.8947 6.4344 6.4539 7.1463 7.1956 7.8261 7.9185 8.3804 8.4637 8.6112 8.7154 8.8066 8.8536 9.1056 9.1444 10.4128 10.4544 15.5727 15.5747 16.7832 16.7871 k = 0.5000-0.0535 0.5746 ( 6592 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3558 -34.4969 -34.4960 -34.4933 -34.4889 -4.6932 -4.6893 -4.6875 -4.6818 -4.2441 -4.2396 -4.2308 -4.2219 -4.2212 -4.2172 3.8693 3.8939 6.4828 6.5037 7.0797 7.1254 7.8220 7.9153 8.3809 8.4633 8.6342 8.7295 8.7995 8.8588 9.0927 9.1285 10.4355 10.4767 15.6250 15.6287 16.8834 16.8881 k = 0.5000-0.0428 0.5821 ( 6588 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3558 -34.4970 -34.4960 -34.4933 -34.4888 -4.6933 -4.6893 -4.6875 -4.6817 -4.2441 -4.2395 -4.2309 -4.2220 -4.2210 -4.2173 3.8683 3.8932 6.5330 6.5552 7.0145 7.0570 7.8186 7.9126 8.3813 8.4630 8.6561 8.7409 8.7916 8.8654 9.0813 9.1134 10.4541 10.4949 15.6722 15.6777 16.9777 16.9835 k = 0.5000-0.0321 0.5897 ( 6592 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3558 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6893 -4.6875 -4.6817 -4.2441 -4.2395 -4.2309 -4.2221 -4.2209 -4.2174 3.8674 3.8926 6.5847 6.6081 6.9511 6.9909 7.8160 7.9105 8.3816 8.4628 8.6765 8.7495 8.7827 8.8726 9.0718 9.0999 10.4686 10.5091 15.7123 15.7195 17.0618 17.0687 k = 0.5000-0.0214 0.5973 ( 6596 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2441 -4.2394 -4.2309 -4.2221 -4.2207 -4.2175 3.8668 3.8922 6.6370 6.6615 6.8902 6.9281 7.8141 7.9090 8.3818 8.4626 8.6948 8.7553 8.7731 8.8793 9.0646 9.0890 10.4789 10.5193 15.7431 15.7517 17.1294 17.1378 k = 0.5000-0.0107 0.6048 ( 6596 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2207 -4.2175 3.8664 3.8919 6.6870 6.7119 6.8351 6.8720 7.8130 7.9081 8.3819 8.4625 8.7091 8.7587 8.7642 8.8842 9.0601 9.0817 10.4851 10.5254 15.7625 15.7721 17.1739 17.1837 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8663 3.8919 6.7160 6.7398 6.8044 6.8422 7.8126 7.9078 8.3820 8.4625 8.7152 8.7598 8.7599 8.8860 9.0586 9.0792 10.4872 10.5275 15.7691 15.7791 17.1895 17.1999 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8663 3.8919 6.7160 6.7398 6.8044 6.8422 7.8126 7.9078 8.3820 8.4625 8.7152 8.7598 8.7599 8.8860 9.0586 9.0792 10.4872 10.5275 15.7691 15.7791 17.1895 17.1999 k = 0.4934 0.0114 0.6124 ( 6598 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8656 3.8912 6.6998 6.7244 6.8219 6.8591 7.8131 7.9087 8.3798 8.4593 8.6995 8.7405 8.7821 8.8988 9.0541 9.0897 10.4876 10.5279 15.7639 15.7740 17.1792 17.1915 k = 0.4868 0.0228 0.6124 ( 6600 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6935 -4.6894 -4.6875 -4.6816 -4.2441 -4.2394 -4.2309 -4.2222 -4.2207 -4.2175 3.8638 3.8892 6.6676 6.6925 6.8580 6.8951 7.8144 7.9111 8.3732 8.4501 8.6699 8.7169 8.8022 8.9299 9.0495 9.1142 10.4886 10.5291 15.7476 15.7579 17.1528 17.1698 k = 0.4803 0.0342 0.6124 ( 6596 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6894 -4.6874 -4.6816 -4.2441 -4.2395 -4.2309 -4.2223 -4.2207 -4.2175 3.8609 3.8862 6.6323 6.6569 6.8999 6.9378 7.8163 7.9148 8.3621 8.4358 8.6391 8.6862 8.8202 8.9611 9.0569 9.1474 10.4900 10.5307 15.7197 15.7302 17.1193 17.1407 k = 0.4737 0.0456 0.6124 ( 6586 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6895 -4.6874 -4.6817 -4.2441 -4.2395 -4.2309 -4.2223 -4.2207 -4.2174 3.8573 3.8824 6.5971 6.6212 6.9444 6.9833 7.8189 7.9196 8.3460 8.4179 8.6084 8.6535 8.8358 8.9766 9.0869 9.1876 10.4914 10.5324 15.6804 15.6906 17.0861 17.1100 k = 0.4671 0.0570 0.6124 ( 6580 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6933 -4.6895 -4.6873 -4.6817 -4.2441 -4.2396 -4.2308 -4.2224 -4.2208 -4.2173 3.8530 3.8779 6.5631 6.5867 6.9903 7.0304 7.8221 7.9253 8.3245 8.3981 8.5763 8.6221 8.8488 8.9790 9.1349 9.2333 10.4926 10.5338 15.6306 15.6403 17.0570 17.0816 k = 0.4605 0.0684 0.6124 ( 6575 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3615 -35.3558 -34.4970 -34.4960 -34.4933 -34.4889 -4.6933 -4.6896 -4.6873 -4.6818 -4.2440 -4.2396 -4.2308 -4.2225 -4.2208 -4.2173 3.8483 3.8728 6.5308 6.5540 7.0371 7.0784 7.8256 7.9317 8.2978 8.3777 8.5420 8.5939 8.8596 8.9772 9.1906 9.2829 10.4934 10.5348 15.5721 15.5808 17.0334 17.0572 k = 0.4539 0.0798 0.6124 ( 6561 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3615 -35.3558 -34.4969 -34.4960 -34.4933 -34.4889 -4.6932 -4.6897 -4.6872 -4.6819 -4.2440 -4.2397 -4.2307 -4.2225 -4.2209 -4.2172 3.8432 3.8675 6.5004 6.5232 7.0846 7.1270 7.8293 7.9386 8.2665 8.3569 8.5061 8.5687 8.8684 8.9749 9.2493 9.3352 10.4935 10.5350 15.5070 15.5145 17.0154 17.0373 k = 0.4474 0.0912 0.6124 ( 6553 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3614 -35.3558 -34.4969 -34.4960 -34.4933 -34.4890 -4.6931 -4.6898 -4.6871 -4.6820 -4.2439 -4.2397 -4.2307 -4.2226 -4.2209 -4.2171 3.8380 3.8620 6.4720 6.4945 7.1325 7.1759 7.8332 7.9456 8.2319 8.3352 8.4702 8.5456 8.8756 8.9733 9.3091 9.3891 10.4928 10.5343 15.4376 15.4438 17.0024 17.0216 k = 0.4408 0.1026 0.6124 ( 6561 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3614 -35.3558 -34.4969 -34.4960 -34.4933 -34.4890 -4.6930 -4.6899 -4.6870 -4.6821 -4.2438 -4.2398 -4.2306 -4.2227 -4.2210 -4.2170 3.8328 3.8565 6.4459 6.4681 7.1807 7.2248 7.8370 7.9526 8.1952 8.3115 8.4363 8.5237 8.8815 8.9726 9.3687 9.4434 10.4910 10.5326 15.3664 15.3712 16.9933 17.0096 k = 0.4342 0.1140 0.6124 ( 6562 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3613 -35.3558 -34.4968 -34.4960 -34.4933 -34.4891 -4.6929 -4.6900 -4.6869 -4.6822 -4.2438 -4.2399 -4.2306 -4.2229 -4.2210 -4.2169 3.8277 3.8512 6.4221 6.4441 7.2290 7.2734 7.8403 7.9592 8.1575 8.2848 8.4063 8.5027 8.8864 8.9728 9.4272 9.4972 10.4883 10.5297 15.2956 15.2991 16.9872 17.0006 k = 0.4276 0.1253 0.6124 ( 6564 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3613 -35.3559 -34.4968 -34.4960 -34.4933 -34.4891 -4.6928 -4.6902 -4.6869 -4.6823 -4.2437 -4.2400 -4.2305 -4.2230 -4.2211 -4.2168 3.8229 3.8460 6.4007 6.4225 7.2771 7.3214 7.8429 7.9648 8.1199 8.2545 8.3812 8.4825 8.8904 8.9737 9.4836 9.5495 10.4845 10.5256 15.2271 15.2295 16.9832 16.9938 k = 0.4211 0.1367 0.6124 ( 6559 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3612 -35.3559 -34.4968 -34.4959 -34.4933 -34.4891 -4.6927 -4.6903 -4.6868 -4.6824 -4.2436 -4.2401 -4.2305 -4.2231 -4.2211 -4.2167 3.8184 3.8412 6.3817 6.4033 7.3249 7.3685 7.8442 7.9683 8.0843 8.2212 8.3614 8.4632 8.8938 8.9749 9.5371 9.5993 10.4798 10.5204 15.1626 15.1641 16.9808 16.9889 k = 0.4145 0.1481 0.6124 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3612 -35.3559 -34.4968 -34.4959 -34.4933 -34.4892 -4.6925 -4.6904 -4.6867 -4.6825 -4.2436 -4.2401 -4.2304 -4.2232 -4.2211 -4.2167 3.8143 3.8369 6.3652 6.3866 7.3721 7.4140 7.8433 7.9674 8.0537 8.1863 8.3462 8.4451 8.8966 8.9764 9.5868 9.6457 10.4743 10.5143 15.1038 15.1045 16.9792 16.9853 k = 0.4079 0.1595 0.6124 ( 6544 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4892 -4.6924 -4.6905 -4.6866 -4.6826 -4.2435 -4.2402 -4.2303 -4.2233 -4.2212 -4.2166 3.8107 3.8331 6.3512 6.3725 7.4183 7.4573 7.8389 7.9586 8.0332 8.1514 8.3351 8.4284 8.8988 8.9780 9.6316 9.6876 10.4684 10.5077 15.0518 15.0520 16.9783 16.9828 k = 0.4013 0.1709 0.6124 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4892 -4.6923 -4.6906 -4.6866 -4.6827 -4.2435 -4.2403 -4.2303 -4.2234 -4.2212 -4.2165 3.8076 3.8299 6.3397 6.3609 7.4629 7.4974 7.8292 7.9421 8.0245 8.1184 8.3272 8.4134 8.9007 8.9794 9.6705 9.7239 10.4624 10.5010 15.0075 15.0078 16.9776 16.9812 k = 0.3947 0.1823 0.6124 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6922 -4.6907 -4.6865 -4.6827 -4.2434 -4.2403 -4.2303 -4.2235 -4.2212 -4.2165 3.8052 3.8273 6.3307 6.3519 7.5049 7.5326 7.8131 7.9248 8.0231 8.0891 8.3220 8.4008 8.9021 8.9806 9.7023 9.7536 10.4570 10.4947 14.9721 14.9726 16.9770 16.9803 k = 0.3882 0.1937 0.6124 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6908 -4.6865 -4.6828 -4.2434 -4.2404 -4.2302 -4.2235 -4.2212 -4.2165 3.8035 3.8254 6.3243 6.3454 7.5421 7.5609 7.7926 7.9113 8.0248 8.0652 8.3190 8.3909 8.9031 8.9816 9.7260 9.7756 10.4526 10.4896 14.9464 14.9470 16.9765 16.9799 k = 0.3816 0.2051 0.6124 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6909 -4.6865 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2165 3.8024 3.8243 6.3204 6.3415 7.5703 7.5791 7.7736 7.9030 8.0288 8.0477 8.3176 8.3846 8.9037 8.9822 9.7406 9.7892 10.4497 10.4862 14.9307 14.9314 16.9761 16.9797 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.3683 0.2126 0.6014 ( 6551 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6911 -4.6864 -4.6827 -4.2433 -4.2404 -4.2302 -4.2237 -4.2213 -4.2165 3.7850 3.8072 6.3576 6.3804 7.5175 7.5186 7.7454 7.8751 8.0391 8.0431 8.3082 8.3685 8.9423 9.0293 9.7426 9.7874 10.5424 10.5782 14.9201 14.9211 17.1290 17.1325 k = 0.3616 0.2088 0.5905 ( 6547 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3611 -35.3558 -34.4967 -34.4959 -34.4932 -34.4892 -4.6922 -4.6912 -4.6863 -4.6827 -4.2433 -4.2404 -4.2302 -4.2239 -4.2213 -4.2166 3.7661 3.7885 6.3969 6.4213 7.4533 7.4544 7.7268 7.8516 8.0439 8.0532 8.3004 8.3546 8.9824 9.0781 9.7389 9.7794 10.6379 10.6733 14.9140 14.9152 17.2847 17.2879 k = 0.3549 0.2049 0.5796 ( 6559 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3611 -35.3557 -34.4968 -34.4959 -34.4932 -34.4892 -4.6922 -4.6913 -4.6862 -4.6827 -4.2433 -4.2404 -4.2302 -4.2241 -4.2213 -4.2167 3.7451 3.7676 6.4365 6.4627 7.3914 7.3919 7.7093 7.8294 8.0521 8.0635 8.2945 8.3408 9.0237 9.1288 9.7351 9.7702 10.7353 10.7703 14.9072 14.9087 17.4418 17.4447 k = 0.3482 0.2010 0.5686 ( 6561 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7173 -35.3610 -35.3556 -34.4968 -34.4959 -34.4932 -34.4892 -4.6923 -4.6915 -4.6862 -4.6827 -4.2433 -4.2405 -4.2302 -4.2243 -4.2212 -4.2167 3.7221 3.7446 6.4764 6.5043 7.3316 7.3323 7.6926 7.8086 8.0633 8.0731 8.2915 8.3273 9.0656 9.1809 9.7320 9.7605 10.8344 10.8690 14.8999 14.9017 17.5986 17.6014 k = 0.3415 0.1972 0.5577 ( 6557 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7174 -35.3610 -35.3556 -34.4968 -34.4959 -34.4932 -34.4892 -4.6923 -4.6916 -4.6861 -4.6827 -4.2433 -4.2405 -4.2302 -4.2245 -4.2212 -4.2168 3.6970 3.7193 6.5163 6.5458 7.2741 7.2762 7.6767 7.7892 8.0769 8.0808 8.2927 8.3147 9.1076 9.2341 9.7306 9.7510 10.9352 10.9695 14.8922 14.8941 17.7529 17.7558 k = 0.3348 0.1933 0.5468 ( 6557 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7175 -35.7174 -35.3609 -35.3555 -34.4968 -34.4958 -34.4932 -34.4892 -4.6923 -4.6918 -4.6860 -4.6828 -4.2432 -4.2406 -4.2301 -4.2248 -4.2212 -4.2169 3.6697 3.6918 6.5559 6.5870 7.2197 7.2235 7.6617 7.7712 8.0852 8.0922 8.2992 8.3036 9.1489 9.2880 9.7320 9.7427 11.0377 11.0717 14.8841 14.8863 17.8901 17.8914 k = 0.3281 0.1894 0.5358 ( 6557 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7175 -35.3609 -35.3554 -34.4968 -34.4958 -34.4932 -34.4892 -4.6922 -4.6919 -4.6860 -4.6828 -4.2432 -4.2407 -4.2300 -4.2250 -4.2212 -4.2170 3.6402 3.6619 6.5949 6.6275 7.1686 7.1742 7.6476 7.7545 8.0856 8.1080 8.2950 8.3116 9.1889 9.3416 9.7368 9.7374 11.1418 11.1755 14.8757 14.8781 17.7978 17.8076 k = 0.3214 0.1856 0.5249 ( 6565 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7175 -35.3608 -35.3554 -34.4968 -34.4958 -34.4932 -34.4892 -4.6922 -4.6920 -4.6859 -4.6829 -4.2432 -4.2408 -4.2300 -4.2252 -4.2212 -4.2171 3.6086 3.6298 6.6330 6.6672 7.1209 7.1287 7.6343 7.7391 8.0820 8.1224 8.2907 8.3299 9.2269 9.3936 9.7352 9.7483 11.2473 11.2810 14.8672 14.8697 17.7042 17.7145 k = 0.3147 0.1817 0.5140 ( 6553 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7175 -35.3606 -35.3553 -34.4968 -34.4958 -34.4932 -34.4893 -4.6922 -4.6922 -4.6859 -4.6830 -4.2432 -4.2409 -4.2299 -4.2255 -4.2213 -4.2172 3.5748 3.5954 6.6700 6.7056 7.0769 7.0870 7.6220 7.7249 8.0748 8.1329 8.2928 8.3530 9.2623 9.4421 9.7407 9.7658 11.3544 11.3879 14.8584 14.8611 17.6140 17.6247 k = 0.3080 0.1778 0.5030 ( 6549 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3925 -35.7176 -35.7176 -35.3605 -35.3552 -34.4968 -34.4957 -34.4932 -34.4894 -4.6923 -4.6921 -4.6859 -4.6832 -4.2431 -4.2410 -4.2298 -4.2257 -4.2213 -4.2173 3.5389 3.5589 6.7055 6.7427 7.0365 7.0494 7.6105 7.7119 8.0650 8.1374 8.3031 8.3798 9.2950 9.4844 9.7565 9.7911 11.4629 11.4963 14.8496 14.8525 17.5271 17.5382 k = 0.3013 0.1740 0.4921 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3925 -35.7177 -35.7176 -35.3604 -35.3552 -34.4967 -34.4957 -34.4932 -34.4894 -4.6924 -4.6920 -4.6858 -4.6833 -4.2431 -4.2411 -4.2297 -4.2259 -4.2214 -4.2174 3.5009 3.5202 6.7391 6.7780 6.9998 7.0161 7.5999 7.6999 8.0531 8.1356 8.3215 8.4086 9.3258 9.5185 9.7856 9.8245 11.5728 11.6061 14.8407 14.8438 17.4437 17.4550 k = 0.2946 0.1701 0.4811 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7178 -35.7177 -35.3602 -35.3551 -34.4967 -34.4957 -34.4932 -34.4895 -4.6925 -4.6919 -4.6858 -4.6835 -4.2431 -4.2412 -4.2296 -4.2261 -4.2215 -4.2174 3.4611 3.4796 6.7702 6.8115 6.9671 6.9876 7.5901 7.6890 8.0400 8.1290 8.3457 8.4380 9.3557 9.5446 9.8285 9.8661 11.6840 11.7173 14.8319 14.8351 17.3637 17.3753 k = 0.2879 0.1662 0.4702 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7178 -35.7178 -35.3601 -35.3550 -34.4966 -34.4956 -34.4933 -34.4896 -4.6927 -4.6918 -4.6858 -4.6837 -4.2431 -4.2414 -4.2295 -4.2263 -4.2216 -4.2175 3.4194 3.4371 6.7976 6.8424 6.9386 6.9648 7.5809 7.6789 8.0261 8.1193 8.3735 8.4664 9.3868 9.5660 9.8832 9.9153 11.7964 11.8298 14.8231 14.8266 17.2870 17.2989 k = 0.2812 0.1624 0.4593 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7179 -35.7178 -35.3599 -35.3550 -34.4966 -34.4956 -34.4933 -34.4897 -4.6928 -4.6917 -4.6858 -4.6839 -4.2431 -4.2415 -4.2293 -4.2264 -4.2218 -4.2176 3.3760 3.3929 6.8195 6.8682 6.9168 6.9496 7.5725 7.6696 8.0118 8.1078 8.4025 8.4925 9.4211 9.5868 9.9468 9.9713 11.9101 11.9436 14.8145 14.8181 17.2136 17.2258 k = 0.2746 0.1585 0.4483 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7179 -35.3597 -35.3549 -34.4965 -34.4955 -34.4933 -34.4898 -4.6929 -4.6916 -4.6858 -4.6841 -4.2431 -4.2417 -4.2292 -4.2266 -4.2219 -4.2177 3.3311 3.3470 6.8327 6.8748 6.9157 6.9447 7.5646 7.6607 7.9976 8.0954 8.4308 8.5149 9.4606 9.6103 10.0169 10.0333 12.0248 12.0585 14.8060 14.8099 17.1436 17.1560 k = 0.2679 0.1546 0.4374 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3924 -35.7180 -35.7180 -35.3595 -35.3549 -34.4965 -34.4955 -34.4933 -34.4900 -4.6930 -4.6915 -4.6858 -4.6844 -4.2431 -4.2418 -4.2291 -4.2268 -4.2221 -4.2178 3.2848 3.2998 6.8362 6.8613 6.9362 6.9512 7.5571 7.6522 7.9839 8.0829 8.4570 8.5326 9.5073 9.6393 10.0920 10.1006 12.1406 12.1745 14.7978 14.8019 17.0768 17.0895 k = 0.2612 0.1508 0.4265 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3924 -35.7181 -35.7180 -35.3592 -35.3548 -34.4964 -34.4955 -34.4933 -34.4901 -4.6931 -4.6914 -4.6858 -4.6846 -4.2431 -4.2420 -4.2289 -4.2269 -4.2223 -4.2179 3.2372 3.2513 6.8330 6.8463 6.9593 6.9660 7.5499 7.6437 7.9709 8.0706 8.4797 8.5449 9.5621 9.6758 10.1711 10.1724 12.2574 12.2915 14.7899 14.7942 17.0133 17.0261 k = 0.2545 0.1469 0.4155 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3924 -35.7182 -35.7181 -35.3590 -35.3547 -34.4963 -34.4954 -34.4933 -34.4902 -4.6932 -4.6912 -4.6858 -4.6849 -4.2432 -4.2422 -4.2288 -4.2270 -4.2225 -4.2180 3.1886 3.2018 6.8272 6.8335 6.9815 6.9846 7.5428 7.6352 7.9590 8.0589 8.4982 8.5517 9.6259 9.7209 10.2485 10.2536 12.3750 12.4094 14.7822 14.7869 16.9529 16.9658 k = 0.2478 0.1430 0.4046 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3924 -35.7182 -35.7182 -35.3588 -35.3547 -34.4962 -34.4954 -34.4933 -34.4904 -4.6933 -4.6911 -4.6858 -4.6851 -4.2432 -4.2423 -4.2286 -4.2271 -4.2227 -4.2181 3.1391 3.1514 6.8214 6.8231 7.0023 7.0044 7.5358 7.6262 7.9486 8.0480 8.5118 8.5532 9.6987 9.7755 10.3282 10.3393 12.4934 12.5281 14.7750 14.7799 16.8957 16.9085 k = 0.2411 0.1392 0.3937 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3923 -35.7183 -35.7183 -35.3585 -35.3546 -34.4961 -34.4953 -34.4934 -34.4905 -4.6934 -4.6910 -4.6858 -4.6854 -4.2433 -4.2425 -4.2285 -4.2273 -4.2229 -4.2182 3.0889 3.1004 6.8153 6.8168 7.0216 7.0242 7.5286 7.6165 7.9400 8.0384 8.5205 8.5499 9.7803 9.8398 10.4114 10.4278 12.6124 12.6475 14.7682 14.7734 16.8416 16.8541 k = 0.2344 0.1353 0.3827 ( 6535 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3923 -35.7184 -35.7183 -35.3583 -35.3545 -34.4961 -34.4953 -34.4934 -34.4907 -4.6935 -4.6908 -4.6859 -4.6857 -4.2433 -4.2427 -4.2284 -4.2274 -4.2232 -4.2183 3.0382 3.0488 6.8099 6.8137 7.0392 7.0432 7.5210 7.6060 7.9333 8.0300 8.5245 8.5425 9.8702 9.9137 10.4977 10.5190 12.7318 12.7674 14.7619 14.7674 16.7904 16.8023 k = 0.2277 0.1315 0.3718 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3923 -35.7185 -35.7184 -35.3580 -35.3545 -34.4960 -34.4952 -34.4934 -34.4908 -4.6936 -4.6907 -4.6860 -4.6859 -4.2434 -4.2428 -4.2282 -4.2275 -4.2234 -4.2184 2.9871 2.9968 6.8068 6.8124 7.0554 7.0613 7.5130 7.5944 7.9288 8.0232 8.5241 8.5318 9.9678 9.9967 10.5871 10.6128 12.8517 12.8878 14.7561 14.7619 16.7420 16.7527 k = 0.2210 0.1276 0.3609 ( 6525 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3922 -35.7186 -35.7185 -35.3577 -35.3544 -34.4959 -34.4952 -34.4934 -34.4910 -4.6936 -4.6906 -4.6862 -4.6860 -4.2434 -4.2430 -4.2281 -4.2276 -4.2237 -4.2186 2.9358 2.9448 6.8058 6.8128 7.0700 7.0783 7.5044 7.5817 7.9266 8.0181 8.5185 8.5201 10.0724 10.0882 10.6794 10.7092 12.9716 13.0083 14.7509 14.7571 16.6959 16.7045 k = 0.2143 0.1237 0.3499 ( 6525 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3922 -35.7187 -35.7186 -35.3574 -35.3543 -34.4958 -34.4951 -34.4935 -34.4912 -4.6937 -4.6905 -4.6865 -4.6860 -4.2435 -4.2432 -4.2279 -4.2276 -4.2239 -4.2187 2.8845 2.8927 6.8069 6.8149 7.0831 7.0939 7.4952 7.5679 7.9268 8.0149 8.5033 8.5130 10.1834 10.1875 10.7744 10.8079 13.0916 13.1289 14.7463 14.7528 16.6511 16.6558 k = 0.2076 0.1199 0.3390 ( 6513 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3922 -35.7187 -35.7187 -35.3571 -35.3542 -34.4957 -34.4951 -34.4935 -34.4913 -4.6938 -4.6904 -4.6868 -4.6861 -4.2436 -4.2433 -4.2278 -4.2277 -4.2242 -4.2188 2.8334 2.8409 6.8098 6.8186 7.0948 7.1083 7.4852 7.5530 7.9294 8.0135 8.4869 8.5035 10.2940 10.3002 10.8720 10.9091 13.2112 13.2493 14.7424 14.7493 16.6027 16.6050 k = 0.2009 0.1160 0.3281 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3925 -38.3921 -35.7188 -35.7188 -35.3569 -35.3541 -34.4956 -34.4951 -34.4935 -34.4915 -4.6938 -4.6902 -4.6871 -4.6862 -4.2437 -4.2435 -4.2278 -4.2277 -4.2244 -4.2190 2.7826 2.7894 6.8143 6.8238 7.1051 7.1213 7.4745 7.5371 7.9341 8.0141 8.4697 8.4922 10.4068 10.4222 10.9722 11.0126 13.3303 13.3691 14.7391 14.7465 16.5377 16.5490 k = 0.1942 0.1121 0.3171 ( 6521 PWs) bands (ev): -67.7734 -67.7734 -38.3924 -38.3921 -35.7189 -35.7189 -35.3566 -35.3540 -34.4955 -34.4950 -34.4935 -34.4917 -4.6938 -4.6901 -4.6874 -4.6862 -4.2438 -4.2436 -4.2279 -4.2275 -4.2247 -4.2191 2.7322 2.7383 6.8204 6.8304 7.1141 7.1328 7.4630 7.5203 7.9409 8.0165 8.4522 8.4797 10.5255 10.5491 11.0750 11.1185 13.4486 13.4882 14.7367 14.7445 16.4547 16.4691 k = 0.1875 0.1083 0.3062 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3924 -38.3921 -35.7190 -35.7189 -35.3563 -35.3539 -34.4954 -34.4950 -34.4936 -34.4918 -4.6939 -4.6900 -4.6877 -4.6863 -4.2439 -4.2438 -4.2279 -4.2274 -4.2250 -4.2193 2.6824 2.6879 6.8279 6.8381 7.1216 7.1430 7.4508 7.5029 7.9496 8.0208 8.4349 8.4664 10.6495 10.6803 11.1801 11.2266 13.5655 13.6061 14.7350 14.7432 16.3578 16.3691 k = 0.1808 0.1044 0.2953 ( 6521 PWs) bands (ev): -67.7734 -67.7734 -38.3923 -38.3920 -35.7191 -35.7190 -35.3560 -35.3538 -34.4954 -34.4949 -34.4936 -34.4920 -4.6939 -4.6900 -4.6879 -4.6864 -4.2440 -4.2439 -4.2280 -4.2273 -4.2252 -4.2195 2.6333 2.6383 6.8366 6.8470 7.1279 7.1516 7.4380 7.4849 7.9600 8.0269 8.4181 8.4529 10.7781 10.8156 11.2876 11.3369 13.6808 13.7223 14.7342 14.7429 16.2550 16.2628 k = 0.1741 0.1005 0.2843 ( 6527 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3920 -35.7192 -35.7191 -35.3557 -35.3537 -34.4953 -34.4949 -34.4936 -34.4922 -4.6939 -4.6899 -4.6882 -4.6865 -4.2441 -4.2441 -4.2280 -4.2272 -4.2255 -4.2197 2.5851 2.5895 6.8463 6.8569 7.1329 7.1588 7.4246 7.4667 7.9720 8.0346 8.4020 8.4394 10.9110 10.9544 11.3975 11.4494 13.7938 13.8364 14.7342 14.7433 16.1514 16.1564 k = 0.1674 0.0967 0.2734 ( 6529 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3920 -35.7193 -35.7192 -35.3554 -35.3536 -34.4952 -34.4948 -34.4937 -34.4923 -4.6939 -4.6898 -4.6885 -4.6866 -4.2442 -4.2442 -4.2281 -4.2271 -4.2257 -4.2199 2.5378 2.5418 6.8570 6.8675 7.1367 7.1645 7.4109 7.4482 7.9854 8.0439 8.3868 8.4262 11.0476 11.0965 11.5095 11.5640 13.9040 13.9476 14.7350 14.7447 16.0493 16.0522 k = 0.1607 0.0928 0.2624 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3919 -35.7193 -35.7193 -35.3552 -35.3535 -34.4951 -34.4948 -34.4937 -34.4925 -4.6939 -4.6898 -4.6887 -4.6867 -4.2443 -4.2443 -4.2282 -4.2270 -4.2259 -4.2201 2.4917 2.4952 6.8684 6.8789 7.1392 7.1687 7.3968 7.4297 7.9999 8.0546 8.3728 8.4136 11.1877 11.2415 11.6238 11.6807 14.0106 14.0552 14.7368 14.7470 15.9503 15.9515 k = 0.1540 0.0889 0.2515 ( 6521 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3919 -35.7194 -35.7194 -35.3549 -35.3534 -34.4950 -34.4948 -34.4937 -34.4926 -4.6938 -4.6897 -4.6889 -4.6869 -4.2445 -4.2444 -4.2282 -4.2269 -4.2261 -4.2203 2.4467 2.4498 6.8805 6.8908 7.1406 7.1715 7.3825 7.4114 8.0155 8.0665 8.3601 8.4018 11.3307 11.3892 11.7401 11.7994 14.1127 14.1583 14.7395 14.7503 15.8551 15.8553 k = 0.1473 0.0851 0.2406 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3919 -35.7195 -35.7195 -35.3546 -35.3533 -34.4950 -34.4947 -34.4938 -34.4928 -4.6938 -4.6897 -4.6892 -4.6870 -4.2446 -4.2445 -4.2282 -4.2268 -4.2263 -4.2205 2.4030 2.4057 6.8931 6.9032 7.1408 7.1729 7.3682 7.3933 8.0319 8.0794 8.3487 8.3908 11.4765 11.5393 11.8585 11.9200 14.2092 14.2557 14.7431 14.7545 15.7638 15.7651 k = 0.1406 0.0812 0.2296 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3918 -35.7196 -35.7196 -35.3543 -35.3532 -34.4949 -34.4947 -34.4938 -34.4929 -4.6938 -4.6897 -4.6894 -4.6871 -4.2447 -4.2446 -4.2283 -4.2267 -4.2265 -4.2208 2.3607 2.3630 6.9060 6.9159 7.1400 7.1729 7.3540 7.3756 8.0490 8.0933 8.3388 8.3808 11.6246 11.6913 11.9789 12.0425 14.2989 14.3461 14.7476 14.7596 15.6785 15.6809 k = 0.1339 0.0773 0.2187 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3919 -38.3918 -35.7197 -35.7196 -35.3541 -35.3531 -34.4948 -34.4947 -34.4939 -34.4931 -4.6937 -4.6897 -4.6896 -4.6872 -4.2448 -4.2447 -4.2283 -4.2266 -4.2266 -4.2210 2.3198 2.3218 6.9192 6.9288 7.1383 7.1716 7.3399 7.3584 8.0667 8.1079 8.3303 8.3719 11.7747 11.8451 12.1011 12.1667 14.3802 14.4278 14.7529 14.7656 15.6005 15.6036 k = 0.1272 0.0735 0.2078 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3917 -35.7198 -35.7197 -35.3538 -35.3530 -34.4948 -34.4946 -34.4939 -34.4932 -4.6937 -4.6898 -4.6897 -4.6874 -4.2449 -4.2448 -4.2283 -4.2268 -4.2266 -4.2213 2.2805 2.2822 6.9324 6.9417 7.1357 7.1691 7.3261 7.3418 8.0848 8.1231 8.3231 8.3640 11.9265 12.0004 12.2251 12.2925 14.4513 14.4990 14.7590 14.7726 15.5311 15.5345 k = 0.1205 0.0696 0.1968 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3917 -35.7198 -35.7198 -35.3536 -35.3528 -34.4947 -34.4946 -34.4939 -34.4933 -4.6936 -4.6900 -4.6897 -4.6875 -4.2450 -4.2449 -4.2284 -4.2269 -4.2265 -4.2216 2.2428 2.2442 6.9456 6.9546 7.1323 7.1655 7.3127 7.3259 8.1032 8.1387 8.3174 8.3571 12.0797 12.1566 12.3507 12.4197 14.5103 14.5575 14.7658 14.7805 15.4719 15.4752 k = 0.1138 0.0657 0.1859 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7199 -35.7199 -35.3534 -35.3527 -34.4947 -34.4946 -34.4940 -34.4934 -4.6935 -4.6901 -4.6897 -4.6877 -4.2451 -4.2450 -4.2284 -4.2270 -4.2264 -4.2219 2.2067 2.2080 6.9587 6.9673 7.1283 7.1609 7.2998 7.3108 8.1216 8.1545 8.3129 8.3513 12.2339 12.3136 12.4779 12.5482 14.5552 14.6011 14.7733 14.7894 15.4248 15.4272 k = 0.1071 0.0619 0.1750 ( 6521 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3916 -35.7200 -35.7200 -35.3532 -35.3526 -34.4946 -34.4945 -34.4940 -34.4936 -4.6934 -4.6903 -4.6898 -4.6878 -4.2452 -4.2451 -4.2284 -4.2271 -4.2264 -4.2221 2.1725 2.1735 6.9714 6.9797 7.1238 7.1555 7.2875 7.2966 8.1400 8.1705 8.3097 8.3464 12.3889 12.4709 12.6064 12.6777 14.5845 14.6282 14.7816 14.7992 15.3908 15.3917 k = 0.1004 0.0580 0.1640 ( 6513 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7200 -35.7200 -35.3530 -35.3525 -34.4946 -34.4945 -34.4940 -34.4937 -4.6933 -4.6904 -4.6898 -4.6880 -4.2453 -4.2452 -4.2284 -4.2271 -4.2264 -4.2224 2.1400 2.1408 6.9838 6.9916 7.1188 7.1495 7.2759 7.2833 8.1583 8.1864 8.3075 8.3424 12.5442 12.6280 12.7363 12.8080 14.5979 14.6383 14.7910 14.8101 15.3688 15.3701 k = 0.0938 0.0541 0.1531 ( 6517 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7201 -35.7201 -35.3528 -35.3524 -34.4946 -34.4945 -34.4941 -34.4938 -4.6932 -4.6905 -4.6898 -4.6882 -4.2454 -4.2453 -4.2284 -4.2272 -4.2263 -4.2227 2.1094 2.1101 6.9955 7.0030 7.1136 7.1428 7.2651 7.2710 8.1762 8.2021 8.3063 8.3392 12.6996 12.7842 12.8673 12.9387 14.5967 14.6328 14.8019 14.8219 15.3574 15.3611 k = 0.0871 0.0503 0.1422 ( 6517 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3915 -35.7202 -35.7202 -35.3526 -35.3523 -34.4945 -34.4945 -34.4941 -34.4938 -4.6931 -4.6907 -4.6899 -4.6884 -4.2455 -4.2454 -4.2284 -4.2272 -4.2263 -4.2230 2.0807 2.0812 7.0066 7.0137 7.1082 7.1358 7.2551 7.2598 8.1937 8.2174 8.3059 8.3368 12.8545 12.9388 12.9996 13.0695 14.5834 14.6148 14.8140 14.8347 15.3552 15.3610 k = 0.0804 0.0464 0.1312 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7202 -35.7202 -35.3524 -35.3522 -34.4945 -34.4945 -34.4941 -34.4939 -4.6930 -4.6907 -4.6900 -4.6885 -4.2455 -4.2455 -4.2283 -4.2272 -4.2263 -4.2234 2.0539 2.0543 7.0169 7.0236 7.1028 7.1286 7.2460 7.2497 8.2106 8.2323 8.3063 8.3349 13.0086 13.0902 13.1336 13.1998 14.5613 14.5882 14.8273 14.8485 15.3595 15.3666 k = 0.0737 0.0425 0.1203 ( 6511 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7203 -35.7203 -35.3523 -35.3521 -34.4945 -34.4944 -34.4941 -34.4940 -4.6928 -4.6908 -4.6900 -4.6887 -4.2456 -4.2456 -4.2283 -4.2272 -4.2263 -4.2237 2.0291 2.0295 7.0263 7.0326 7.0974 7.1214 7.2379 7.2407 8.2268 8.2465 8.3072 8.3336 13.1613 13.2357 13.2709 13.3290 14.5336 14.5565 14.8418 14.8633 15.3675 15.3754 k = 0.0670 0.0387 0.1094 ( 6515 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7203 -35.7203 -35.3521 -35.3520 -34.4944 -34.4944 -34.4942 -34.4941 -4.6927 -4.6909 -4.6901 -4.6889 -4.2457 -4.2457 -4.2282 -4.2272 -4.2263 -4.2240 2.0064 2.0067 7.0347 7.0406 7.0922 7.1142 7.2309 7.2329 8.2422 8.2599 8.3086 8.3326 13.3120 13.3735 13.4120 13.4564 14.5031 14.5226 14.8576 14.8792 15.3773 15.3852 k = 0.0603 0.0348 0.0984 ( 6513 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3520 -35.3519 -34.4944 -34.4944 -34.4942 -34.4941 -4.6925 -4.6909 -4.6902 -4.6891 -4.2458 -4.2457 -4.2282 -4.2272 -4.2263 -4.2243 1.9857 1.9859 7.0420 7.0475 7.0873 7.1072 7.2249 7.2264 8.2566 8.2724 8.3104 8.3320 13.4598 13.5052 13.5534 13.5811 14.4718 14.4883 14.8750 14.8967 15.3873 15.3948 k = 0.0536 0.0309 0.0875 ( 6505 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3519 -35.3518 -34.4944 -34.4944 -34.4942 -34.4942 -4.6924 -4.6910 -4.6903 -4.6893 -4.2458 -4.2458 -4.2281 -4.2272 -4.2264 -4.2246 1.9672 1.9673 7.0483 7.0533 7.0828 7.1005 7.2200 7.2210 8.2699 8.2838 8.3124 8.3316 13.6037 13.6324 13.6912 13.7020 14.4413 14.4553 14.8948 14.9161 15.3965 15.4033 k = 0.0469 0.0271 0.0765 ( 6501 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3518 -35.3517 -34.4944 -34.4944 -34.4943 -34.4942 -4.6922 -4.6910 -4.6904 -4.6895 -4.2459 -4.2459 -4.2280 -4.2271 -4.2264 -4.2249 1.9507 1.9508 7.0535 7.0580 7.0788 7.0942 7.2160 7.2167 8.2820 8.2941 8.3145 8.3313 13.7421 13.7549 13.8179 13.8226 14.4128 14.4245 14.9176 14.9383 15.4043 15.4100 k = 0.0402 0.0232 0.0656 ( 6501 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3517 -35.3517 -34.4944 -34.4944 -34.4943 -34.4942 -4.6920 -4.6910 -4.6904 -4.6897 -4.2459 -4.2459 -4.2278 -4.2271 -4.2264 -4.2252 1.9364 1.9365 7.0578 7.0617 7.0752 7.0885 7.2131 7.2135 8.2928 8.3032 8.3167 8.3311 13.8715 13.8726 13.9276 13.9452 14.3873 14.3970 14.9449 14.9641 15.4101 15.4146 k = 0.0335 0.0193 0.0547 ( 6505 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3516 -35.3516 -34.4944 -34.4944 -34.4943 -34.4943 -4.6918 -4.6910 -4.6905 -4.6899 -4.2459 -4.2459 -4.2277 -4.2270 -4.2265 -4.2255 1.9243 1.9243 7.0611 7.0644 7.0723 7.0834 7.2109 7.2111 8.3023 8.3109 8.3189 8.3309 13.9798 13.9910 14.0302 14.0560 14.3655 14.3734 14.9783 14.9950 15.4130 15.4164 k = 0.0268 0.0155 0.0437 ( 6509 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3516 -35.3515 -34.4944 -34.4944 -34.4943 -34.4943 -4.6916 -4.6910 -4.6906 -4.6901 -4.2460 -4.2460 -4.2275 -4.2270 -4.2265 -4.2257 1.9143 1.9143 7.0636 7.0663 7.0701 7.0789 7.2094 7.2095 8.3102 8.3172 8.3210 8.3305 14.0767 14.0905 14.1265 14.1519 14.3482 14.3546 15.0195 15.0327 15.4118 15.4141 k = 0.0201 0.0116 0.0328 ( 6505 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4943 -34.4943 -34.4943 -34.4943 -4.6915 -4.6910 -4.6907 -4.6903 -4.2460 -4.2460 -4.2274 -4.2269 -4.2266 -4.2260 1.9066 1.9066 7.0654 7.0675 7.0685 7.0751 7.2084 7.2084 8.3167 8.3220 8.3230 8.3300 14.1573 14.1665 14.2131 14.2300 14.3367 14.3415 15.0699 15.0786 15.4046 15.4061 k = 0.0134 0.0077 0.0219 ( 6495 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4943 -34.4943 -34.4943 -34.4943 -4.6913 -4.6910 -4.6908 -4.6905 -4.2460 -4.2460 -4.2272 -4.2269 -4.2266 -4.2263 1.9010 1.9010 7.0667 7.0678 7.0682 7.0721 7.2078 7.2078 8.3216 8.3247 8.3252 8.3294 14.2151 14.2184 14.2811 14.2884 14.3323 14.3358 15.1287 15.1329 15.3890 15.3902 k = 0.0067 0.0039 0.0109 ( 6491 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7206 -35.7206 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6911 -4.6909 -4.6908 -4.6907 -4.2460 -4.2460 -4.2270 -4.2268 -4.2267 -4.2265 1.8977 1.8977 7.0675 7.0679 7.0684 7.0698 7.2075 7.2075 8.3250 8.3262 8.3269 8.3284 14.2457 14.2461 14.3240 14.3255 14.3350 14.3371 15.1891 15.1900 15.3639 15.3644 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6909 -4.6909 -4.6909 -4.6909 -4.2460 -4.2460 -4.2267 -4.2267 -4.2267 -4.2267 1.8966 1.8966 7.0683 7.0683 7.0683 7.0683 7.2074 7.2074 8.3271 8.3271 8.3271 8.3271 14.2540 14.2540 14.3385 14.3385 14.3385 14.3385 15.2226 15.2226 15.3440 15.3440 k = 0.0000 0.0000 0.0000 ( 6423 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6909 -4.6909 -4.6909 -4.6909 -4.2460 -4.2460 -4.2267 -4.2267 -4.2267 -4.2267 1.8966 1.8966 7.0683 7.0683 7.0683 7.0683 7.2074 7.2074 8.3271 8.3271 8.3271 8.3271 14.2540 14.2540 14.3385 14.3385 14.3385 14.3385 15.2226 15.2226 15.3440 15.3440 k = 0.0109 0.0063 0.0044 ( 6495 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7206 -35.7206 -35.3514 -35.3514 -34.4943 -34.4943 -34.4943 -34.4943 -4.6911 -4.6909 -4.6909 -4.6907 -4.2460 -4.2460 -4.2270 -4.2267 -4.2267 -4.2265 1.8977 1.8977 7.0675 7.0681 7.0681 7.0698 7.2075 7.2075 8.3251 8.3265 8.3265 8.3284 14.2459 14.2459 14.3252 14.3252 14.3346 14.3372 15.1903 15.1903 15.3634 15.3634 k = 0.0217 0.0126 0.0089 ( 6501 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4943 -34.4943 -34.4943 -34.4943 -4.6913 -4.6909 -4.6909 -4.6905 -4.2460 -4.2460 -4.2272 -4.2268 -4.2268 -4.2263 1.9010 1.9010 7.0675 7.0675 7.0675 7.0722 7.2078 7.2078 8.3224 8.3248 8.3248 8.3290 14.2123 14.2123 14.2962 14.2962 14.3256 14.3307 15.1344 15.1344 15.3869 15.3869 k = 0.0326 0.0188 0.0133 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3515 -35.3515 -34.4943 -34.4943 -34.4943 -34.4943 -4.6915 -4.6908 -4.6908 -4.6903 -4.2460 -4.2460 -4.2274 -4.2268 -4.2268 -4.2260 1.9064 1.9064 7.0664 7.0664 7.0683 7.0754 7.2084 7.2084 8.3191 8.3219 8.3219 8.3290 14.1380 14.1380 14.2710 14.2710 14.3117 14.3193 15.0824 15.0824 15.4037 15.4037 k = 0.0435 0.0251 0.0177 ( 6513 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3516 -35.3516 -34.4943 -34.4943 -34.4943 -34.4943 -4.6917 -4.6908 -4.6908 -4.6901 -4.2460 -4.2460 -4.2276 -4.2268 -4.2268 -4.2257 1.9141 1.9141 7.0647 7.0647 7.0699 7.0793 7.2095 7.2095 8.3151 8.3180 8.3180 8.3284 14.0294 14.0294 14.2498 14.2498 14.2933 14.3034 15.0385 15.0385 15.4187 15.4187 k = 0.0543 0.0314 0.0222 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3516 -35.3516 -34.4944 -34.4944 -34.4943 -34.4943 -4.6919 -4.6908 -4.6908 -4.6898 -4.2459 -4.2459 -4.2277 -4.2268 -4.2268 -4.2254 1.9239 1.9239 7.0622 7.0622 7.0722 7.0839 7.2111 7.2111 8.3106 8.3130 8.3130 8.3271 13.8978 13.8978 14.2276 14.2276 14.2709 14.2833 15.0018 15.0018 15.4340 15.4340 k = 0.0652 0.0377 0.0266 ( 6507 PWs) bands (ev): -67.7734 -67.7734 -38.3913 -38.3913 -35.7205 -35.7205 -35.3517 -35.3517 -34.4944 -34.4944 -34.4943 -34.4943 -4.6920 -4.6907 -4.6907 -4.6897 -4.2459 -4.2459 -4.2279 -4.2268 -4.2268 -4.2251 1.9359 1.9359 7.0588 7.0588 7.0752 7.0892 7.2135 7.2135 8.3056 8.3070 8.3070 8.3254 13.7506 13.7506 14.2029 14.2029 14.2448 14.2595 14.9703 14.9703 15.4497 15.4497 k = 0.0761 0.0439 0.0311 ( 6501 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3517 -35.3517 -34.4944 -34.4944 -34.4942 -34.4942 -4.6922 -4.6907 -4.6907 -4.6895 -4.2459 -4.2459 -4.2280 -4.2268 -4.2268 -4.2248 1.9501 1.9501 7.0543 7.0543 7.0788 7.0952 7.2168 7.2168 8.3001 8.3001 8.3002 8.3232 13.5925 13.5925 14.1754 14.1754 14.2156 14.2325 14.9425 14.9425 15.4653 15.4653 k = 0.0870 0.0502 0.0355 ( 6504 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3518 -35.3518 -34.4944 -34.4944 -34.4942 -34.4942 -4.6924 -4.6906 -4.6906 -4.6893 -4.2458 -4.2458 -4.2281 -4.2268 -4.2268 -4.2245 1.9663 1.9663 7.0486 7.0486 7.0830 7.1017 7.2211 7.2211 8.2925 8.2925 8.2944 8.3207 13.4267 13.4267 14.1451 14.1451 14.1836 14.2027 14.9171 14.9171 15.4801 15.4801 k = 0.0978 0.0565 0.0399 ( 6510 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7204 -35.7204 -35.3519 -35.3519 -34.4944 -34.4944 -34.4942 -34.4942 -4.6926 -4.6906 -4.6906 -4.6891 -4.2457 -4.2457 -4.2281 -4.2268 -4.2268 -4.2242 1.9846 1.9846 7.0416 7.0416 7.0877 7.1088 7.2265 7.2265 8.2841 8.2841 8.2885 8.3179 13.2557 13.2557 14.1123 14.1123 14.1493 14.1704 14.8937 14.8937 15.4932 15.4932 k = 0.1087 0.0628 0.0444 ( 6522 PWs) bands (ev): -67.7734 -67.7734 -38.3914 -38.3914 -35.7203 -35.7203 -35.3520 -35.3520 -34.4944 -34.4944 -34.4941 -34.4941 -4.6927 -4.6905 -4.6905 -4.6889 -4.2457 -4.2457 -4.2282 -4.2269 -4.2269 -4.2239 2.0050 2.0050 7.0334 7.0334 7.0929 7.1163 7.2329 7.2329 8.2752 8.2752 8.2824 8.3150 13.0810 13.0810 14.0770 14.0770 14.1128 14.1359 14.8718 14.8718 15.5039 15.5039 k = 0.1196 0.0690 0.0488 ( 6516 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7203 -35.7203 -35.3522 -35.3522 -34.4944 -34.4944 -34.4941 -34.4941 -4.6928 -4.6904 -4.6904 -4.6887 -4.2456 -4.2456 -4.2282 -4.2269 -4.2269 -4.2236 2.0274 2.0274 7.0238 7.0238 7.0985 7.1241 7.2404 7.2404 8.2659 8.2659 8.2764 8.3120 12.9040 12.9040 14.0394 14.0394 14.0746 14.0995 14.8512 14.8512 15.5116 15.5116 k = 0.1304 0.0753 0.0532 ( 6513 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7202 -35.7202 -35.3523 -35.3523 -34.4944 -34.4944 -34.4941 -34.4941 -4.6930 -4.6903 -4.6903 -4.6886 -4.2455 -4.2455 -4.2282 -4.2269 -4.2269 -4.2233 2.0518 2.0518 7.0131 7.0131 7.1044 7.1321 7.2487 7.2487 8.2563 8.2563 8.2706 8.3092 12.7257 12.7257 13.9997 13.9997 14.0347 14.0614 14.8319 14.8319 15.5157 15.5157 k = 0.1413 0.0816 0.0577 ( 6510 PWs) bands (ev): -67.7734 -67.7734 -38.3915 -38.3915 -35.7202 -35.7202 -35.3524 -35.3524 -34.4944 -34.4944 -34.4940 -34.4940 -4.6931 -4.6902 -4.6902 -4.6884 -4.2454 -4.2454 -4.2282 -4.2269 -4.2269 -4.2229 2.0781 2.0781 7.0013 7.0013 7.1104 7.1403 7.2579 7.2579 8.2466 8.2466 8.2652 8.3066 12.5469 12.5469 13.9579 13.9579 13.9933 14.0217 14.8139 14.8139 15.5158 15.5158 k = 0.1522 0.0879 0.0621 ( 6522 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7201 -35.7201 -35.3526 -35.3526 -34.4945 -34.4945 -34.4940 -34.4940 -4.6932 -4.6902 -4.6902 -4.6883 -4.2454 -4.2454 -4.2282 -4.2270 -4.2270 -4.2226 2.1062 2.1062 6.9884 6.9884 7.1166 7.1486 7.2677 7.2677 8.2369 8.2369 8.2602 8.3043 12.3682 12.3682 13.9142 13.9142 13.9506 13.9805 14.7972 14.7972 15.5120 15.5120 k = 0.1630 0.0941 0.0666 ( 6531 PWs) bands (ev): -67.7734 -67.7734 -38.3916 -38.3916 -35.7201 -35.7201 -35.3527 -35.3527 -34.4945 -34.4945 -34.4939 -34.4939 -4.6933 -4.6901 -4.6901 -4.6882 -4.2453 -4.2453 -4.2282 -4.2270 -4.2270 -4.2223 2.1362 2.1362 6.9747 6.9747 7.1228 7.1567 7.2780 7.2780 8.2274 8.2274 8.2558 8.3026 12.1901 12.1901 13.8685 13.8685 13.9065 13.9380 14.7817 14.7817 15.5042 15.5042 k = 0.1739 0.1004 0.0710 ( 6531 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7200 -35.7200 -35.3529 -35.3529 -34.4945 -34.4945 -34.4939 -34.4939 -4.6934 -4.6900 -4.6900 -4.6881 -4.2452 -4.2452 -4.2281 -4.2270 -4.2270 -4.2220 2.1680 2.1680 6.9601 6.9601 7.1289 7.1646 7.2887 7.2887 8.2183 8.2183 8.2523 8.3015 12.0132 12.0132 13.8211 13.8211 13.8613 13.8942 14.7675 14.7675 15.4927 15.4927 k = 0.1848 0.1067 0.0754 ( 6534 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7199 -35.7199 -35.3530 -35.3530 -34.4945 -34.4945 -34.4938 -34.4938 -4.6935 -4.6899 -4.6899 -4.6880 -4.2451 -4.2451 -4.2280 -4.2271 -4.2271 -4.2217 2.2014 2.2014 6.9448 6.9448 7.1349 7.1722 7.2994 7.2994 8.2098 8.2098 8.2496 8.3011 11.8378 11.8378 13.7720 13.7720 13.8150 13.8491 14.7546 14.7546 15.4780 15.4780 k = 0.1957 0.1130 0.0799 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3917 -38.3917 -35.7198 -35.7198 -35.3532 -35.3532 -34.4945 -34.4945 -34.4938 -34.4938 -4.6935 -4.6898 -4.6898 -4.6879 -4.2449 -4.2449 -4.2279 -4.2271 -4.2271 -4.2214 2.2365 2.2365 6.9290 6.9290 7.1406 7.1794 7.3101 7.3101 8.2021 8.2021 8.2481 8.3016 11.6643 11.6643 13.7212 13.7212 13.7675 13.8027 14.7429 14.7429 15.4604 15.4604 k = 0.2065 0.1192 0.0843 ( 6528 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3918 -35.7198 -35.7198 -35.3534 -35.3534 -34.4946 -34.4946 -34.4937 -34.4937 -4.6936 -4.6896 -4.6896 -4.6878 -4.2448 -4.2448 -4.2277 -4.2272 -4.2272 -4.2212 2.2731 2.2731 6.9126 6.9126 7.1459 7.1860 7.3206 7.3206 8.1953 8.1953 8.2478 8.3031 11.4931 11.4931 13.6689 13.6689 13.7191 13.7552 14.7324 14.7324 15.4407 15.4407 k = 0.2174 0.1255 0.0887 ( 6534 PWs) bands (ev): -67.7734 -67.7734 -38.3918 -38.3918 -35.7197 -35.7197 -35.3535 -35.3535 -34.4946 -34.4946 -34.4936 -34.4936 -4.6936 -4.6895 -4.6895 -4.6877 -4.2447 -4.2447 -4.2276 -4.2272 -4.2272 -4.2209 2.3111 2.3111 6.8958 6.8958 7.1508 7.1920 7.3307 7.3307 8.1897 8.1897 8.2489 8.3056 11.3245 11.3245 13.6152 13.6152 13.6697 13.7066 14.7231 14.7231 15.4192 15.4192 k = 0.2283 0.1318 0.0932 ( 6534 PWs) bands (ev): -67.7734 -67.7734 -38.3919 -38.3919 -35.7196 -35.7196 -35.3537 -35.3537 -34.4946 -34.4946 -34.4936 -34.4936 -4.6936 -4.6894 -4.6894 -4.6877 -4.2446 -4.2446 -4.2274 -4.2273 -4.2273 -4.2206 2.3504 2.3504 6.8787 6.8787 7.1552 7.1972 7.3403 7.3403 8.1854 8.1854 8.2514 8.3093 11.1588 11.1588 13.5602 13.5602 13.6194 13.6570 14.7150 14.7150 15.3966 15.3966 k = 0.2391 0.1381 0.0976 ( 6534 PWs) bands (ev): -67.7734 -67.7734 -38.3919 -38.3919 -35.7196 -35.7196 -35.3539 -35.3539 -34.4946 -34.4946 -34.4935 -34.4935 -4.6936 -4.6893 -4.6893 -4.6876 -4.2445 -4.2445 -4.2273 -4.2273 -4.2272 -4.2204 2.3909 2.3909 6.8614 6.8614 7.1590 7.2016 7.3490 7.3490 8.1825 8.1825 8.2554 8.3141 10.9962 10.9962 13.5042 13.5042 13.5683 13.6064 14.7080 14.7080 15.3732 15.3732 k = 0.2500 0.1443 0.1021 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3920 -35.7195 -35.7195 -35.3541 -35.3541 -34.4946 -34.4946 -34.4935 -34.4935 -4.6936 -4.6892 -4.6892 -4.6876 -4.2444 -4.2444 -4.2274 -4.2274 -4.2270 -4.2202 2.4325 2.4325 6.8439 6.8439 7.1623 7.2051 7.3569 7.3569 8.1812 8.1812 8.2609 8.3202 10.8371 10.8371 13.4473 13.4473 13.5166 13.5550 14.7020 14.7020 15.3496 15.3496 k = 0.2609 0.1506 0.1065 ( 6522 PWs) bands (ev): -67.7734 -67.7734 -38.3920 -38.3920 -35.7194 -35.7194 -35.3542 -35.3542 -34.4947 -34.4947 -34.4934 -34.4934 -4.6936 -4.6891 -4.6891 -4.6876 -4.2442 -4.2442 -4.2275 -4.2275 -4.2268 -4.2200 2.4751 2.4751 6.8264 6.8264 7.1649 7.2078 7.3638 7.3638 8.1816 8.1816 8.2680 8.3275 10.6817 10.6817 13.3897 13.3897 13.4644 13.5029 14.6970 14.6970 15.3261 15.3261 k = 0.2717 0.1569 0.1109 ( 6522 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3921 -35.7193 -35.7193 -35.3544 -35.3544 -34.4947 -34.4947 -34.4933 -34.4933 -4.6935 -4.6890 -4.6890 -4.6876 -4.2441 -4.2441 -4.2275 -4.2275 -4.2265 -4.2198 2.5185 2.5185 6.8088 6.8088 7.1670 7.2095 7.3696 7.3696 8.1836 8.1836 8.2766 8.3360 10.5304 10.5304 13.3316 13.3316 13.4119 13.4503 14.6929 14.6929 15.3030 15.3030 k = 0.2826 0.1632 0.1154 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3921 -35.7192 -35.7192 -35.3546 -35.3546 -34.4947 -34.4947 -34.4933 -34.4933 -4.6935 -4.6889 -4.6889 -4.6876 -4.2440 -4.2440 -4.2276 -4.2276 -4.2263 -4.2196 2.5624 2.5624 6.7913 6.7913 7.1683 7.2103 7.3743 7.3743 8.1873 8.1873 8.2868 8.3456 10.3833 10.3833 13.2734 13.2734 13.3593 13.3973 14.6897 14.6897 15.2805 15.2805 k = 0.2935 0.1694 0.1198 ( 6531 PWs) bands (ev): -67.7734 -67.7734 -38.3921 -38.3921 -35.7192 -35.7192 -35.3548 -35.3548 -34.4947 -34.4947 -34.4932 -34.4932 -4.6934 -4.6888 -4.6888 -4.6876 -4.2439 -4.2439 -4.2277 -4.2277 -4.2260 -4.2194 2.6068 2.6068 6.7739 6.7739 7.1691 7.2103 7.3778 7.3778 8.1926 8.1926 8.2983 8.3563 10.2409 10.2409 13.2153 13.2153 13.3067 13.3443 14.6872 14.6872 15.2588 15.2588 k = 0.3043 0.1757 0.1242 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3922 -35.7191 -35.7191 -35.3550 -35.3550 -34.4947 -34.4947 -34.4932 -34.4932 -4.6933 -4.6887 -4.6887 -4.6877 -4.2438 -4.2438 -4.2277 -4.2277 -4.2257 -4.2193 2.6515 2.6515 6.7567 6.7567 7.1694 7.2094 7.3802 7.3802 8.1995 8.1995 8.3112 8.3680 10.1034 10.1034 13.1576 13.1576 13.2545 13.2914 14.6854 14.6854 15.2381 15.2381 k = 0.3152 0.1820 0.1287 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3922 -38.3922 -35.7190 -35.7190 -35.3551 -35.3551 -34.4947 -34.4947 -34.4931 -34.4931 -4.6932 -4.6886 -4.6886 -4.6877 -4.2436 -4.2436 -4.2278 -4.2278 -4.2254 -4.2192 2.6962 2.6962 6.7397 6.7397 7.1691 7.2078 7.3815 7.3815 8.2077 8.2077 8.3252 8.3805 9.9711 9.9711 13.1005 13.1005 13.2028 13.2389 14.6843 14.6843 15.2092 15.2147 k = 0.3261 0.1883 0.1331 ( 6525 PWs) bands (ev): -67.7734 -67.7734 -38.3923 -38.3923 -35.7189 -35.7189 -35.3553 -35.3553 -34.4948 -34.4948 -34.4931 -34.4931 -4.6931 -4.6885 -4.6885 -4.6878 -4.2435 -4.2435 -4.2279 -4.2279 -4.2251 -4.2191 2.7407 2.7407 6.7231 6.7231 7.1683 7.2055 7.3818 7.3818 8.2171 8.2171 8.3401 8.3936 9.8443 9.8443 13.0444 13.0444 13.1520 13.1870 14.6836 14.6836 15.1815 15.1873 k = 0.3370 0.1945 0.1376 ( 6519 PWs) bands (ev): -67.7734 -67.7734 -38.3923 -38.3923 -35.7189 -35.7189 -35.3554 -35.3554 -34.4948 -34.4948 -34.4930 -34.4930 -4.6930 -4.6884 -4.6884 -4.6879 -4.2434 -4.2434 -4.2279 -4.2279 -4.2248 -4.2190 2.7848 2.7848 6.7069 6.7069 7.1672 7.2027 7.3812 7.3812 8.2274 8.2274 8.3559 8.4074 9.7234 9.7234 12.9896 12.9896 13.1023 13.1362 14.6835 14.6835 15.1555 15.1615 k = 0.3478 0.2008 0.1420 ( 6513 PWs) bands (ev): -67.7733 -67.7733 -38.3924 -38.3924 -35.7188 -35.7188 -35.3556 -35.3556 -34.4948 -34.4948 -34.4929 -34.4929 -4.6929 -4.6883 -4.6883 -4.6880 -4.2433 -4.2433 -4.2280 -4.2280 -4.2245 -4.2190 2.8282 2.8282 6.6911 6.6911 7.1658 7.1994 7.3799 7.3799 8.2383 8.2383 8.3723 8.4214 9.6087 9.6087 12.9365 12.9365 13.0540 13.0865 14.6837 14.6837 15.1314 15.1374 k = 0.3587 0.2071 0.1464 ( 6519 PWs) bands (ev): -67.7733 -67.7733 -38.3924 -38.3924 -35.7187 -35.7187 -35.3557 -35.3557 -34.4948 -34.4948 -34.4929 -34.4929 -4.6927 -4.6882 -4.6882 -4.6881 -4.2432 -4.2432 -4.2281 -4.2281 -4.2242 -4.2189 2.8705 2.8705 6.6759 6.6759 7.1641 7.1957 7.3779 7.3779 8.2496 8.2496 8.3890 8.4356 9.5006 9.5006 12.8853 12.8853 13.0075 13.0384 14.6843 14.6843 15.1091 15.1151 k = 0.3696 0.2134 0.1509 ( 6519 PWs) bands (ev): -67.7733 -67.7733 -38.3924 -38.3924 -35.7187 -35.7187 -35.3559 -35.3559 -34.4948 -34.4948 -34.4929 -34.4929 -4.6926 -4.6882 -4.6881 -4.6881 -4.2431 -4.2431 -4.2282 -4.2282 -4.2239 -4.2189 2.9116 2.9116 6.6612 6.6612 7.1622 7.1917 7.3754 7.3754 8.2609 8.2609 8.4059 8.4498 9.3994 9.3994 12.8363 12.8363 12.9629 12.9922 14.6851 14.6851 15.0887 15.0946 k = 0.3804 0.2196 0.1553 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7186 -35.7186 -35.3560 -35.3560 -34.4948 -34.4948 -34.4928 -34.4928 -4.6924 -4.6883 -4.6881 -4.6881 -4.2430 -4.2430 -4.2282 -4.2282 -4.2236 -4.2189 2.9512 2.9512 6.6473 6.6473 7.1603 7.1876 7.3726 7.3726 8.2720 8.2720 8.4228 8.4636 9.3055 9.3055 12.7898 12.7898 12.9208 12.9482 14.6862 14.6862 15.0701 15.0758 k = 0.3913 0.2259 0.1597 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7186 -35.7186 -35.3561 -35.3561 -34.4949 -34.4949 -34.4928 -34.4928 -4.6923 -4.6885 -4.6880 -4.6880 -4.2429 -4.2429 -4.2283 -4.2283 -4.2232 -4.2189 2.9888 2.9888 6.6340 6.6340 7.1584 7.1833 7.3695 7.3695 8.2824 8.2824 8.4393 8.4770 9.2192 9.2192 12.7462 12.7462 12.8812 12.9067 14.6873 14.6873 15.0534 15.0587 k = 0.4022 0.2322 0.1642 ( 6529 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7185 -35.7185 -35.3562 -35.3562 -34.4949 -34.4949 -34.4927 -34.4927 -4.6921 -4.6886 -4.6879 -4.6879 -4.2428 -4.2428 -4.2283 -4.2283 -4.2229 -4.2190 3.0241 3.0241 6.6216 6.6216 7.1565 7.1791 7.3663 7.3663 8.2919 8.2919 8.4553 8.4897 9.1410 9.1410 12.7058 12.7058 12.8445 12.8679 14.6885 14.6885 15.0384 15.0433 k = 0.4130 0.2385 0.1686 ( 6511 PWs) bands (ev): -67.7733 -67.7733 -38.3925 -38.3925 -35.7185 -35.7185 -35.3563 -35.3563 -34.4949 -34.4949 -34.4927 -34.4927 -4.6919 -4.6888 -4.6879 -4.6879 -4.2427 -4.2427 -4.2284 -4.2284 -4.2226 -4.2191 3.0569 3.0569 6.6102 6.6102 7.1548 7.1750 7.3631 7.3631 8.3002 8.3002 8.4705 8.5015 9.0710 9.0710 12.6687 12.6687 12.8110 12.8322 14.6898 14.6898 15.0251 15.0297 k = 0.4239 0.2447 0.1731 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7184 -35.7184 -35.3564 -35.3564 -34.4949 -34.4949 -34.4927 -34.4927 -4.6917 -4.6890 -4.6878 -4.6878 -4.2426 -4.2426 -4.2284 -4.2284 -4.2223 -4.2192 3.0868 3.0868 6.5997 6.5997 7.1532 7.1710 7.3601 7.3601 8.3072 8.3072 8.4848 8.5122 9.0096 9.0096 12.6354 12.6354 12.7810 12.7998 14.6910 14.6910 15.0136 15.0176 k = 0.4348 0.2510 0.1775 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7184 -35.7184 -35.3565 -35.3565 -34.4949 -34.4949 -34.4926 -34.4926 -4.6915 -4.6891 -4.6878 -4.6878 -4.2426 -4.2426 -4.2285 -4.2285 -4.2220 -4.2193 3.1134 3.1134 6.5904 6.5904 7.1520 7.1672 7.3573 7.3573 8.3126 8.3126 8.4979 8.5216 8.9569 8.9569 12.6059 12.6059 12.7547 12.7709 14.6922 14.6922 15.0037 15.0073 k = 0.4457 0.2573 0.1819 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7184 -35.7184 -35.3566 -35.3566 -34.4949 -34.4949 -34.4926 -34.4926 -4.6913 -4.6893 -4.6877 -4.6877 -4.2425 -4.2425 -4.2285 -4.2285 -4.2217 -4.2194 3.1366 3.1366 6.5823 6.5823 7.1510 7.1637 7.3548 7.3548 8.3165 8.3165 8.5097 8.5296 8.9129 8.9129 12.5806 12.5806 12.7322 12.7459 14.6932 14.6932 14.9955 14.9985 k = 0.4565 0.2636 0.1864 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7184 -35.7184 -35.3566 -35.3566 -34.4949 -34.4949 -34.4926 -34.4926 -4.6911 -4.6895 -4.6877 -4.6877 -4.2425 -4.2425 -4.2286 -4.2286 -4.2214 -4.2196 3.1559 3.1559 6.5755 6.5755 7.1504 7.1606 7.3526 7.3526 8.3191 8.3191 8.5199 8.5359 8.8775 8.8775 12.5596 12.5596 12.7138 12.7249 14.6941 14.6941 14.9888 14.9912 k = 0.4674 0.2698 0.1908 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6909 -4.6897 -4.6877 -4.6877 -4.2424 -4.2424 -4.2286 -4.2286 -4.2211 -4.2197 3.1712 3.1712 6.5702 6.5702 7.1501 7.1578 7.3508 7.3508 8.3205 8.3205 8.5284 8.5405 8.8505 8.8505 12.5431 12.5431 12.6997 12.7080 14.6948 14.6948 14.9837 14.9856 k = 0.4783 0.2761 0.1952 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6907 -4.6899 -4.6877 -4.6877 -4.2424 -4.2424 -4.2286 -4.2286 -4.2209 -4.2199 3.1823 3.1823 6.5663 6.5663 7.1503 7.1554 7.3496 7.3496 8.3212 8.3212 8.5352 8.5433 8.8316 8.8316 12.5313 12.5313 12.6899 12.6955 14.6953 14.6953 14.9802 14.9815 k = 0.4891 0.2824 0.1997 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6905 -4.6901 -4.6876 -4.6876 -4.2424 -4.2424 -4.2286 -4.2286 -4.2206 -4.2201 3.1890 3.1890 6.5639 6.5639 7.1509 7.1535 7.3488 7.3488 8.3215 8.3215 8.5402 8.5442 8.8204 8.8204 12.5241 12.5241 12.6845 12.6873 14.6957 14.6957 14.9782 14.9789 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6903 -4.6903 -4.6876 -4.6876 -4.2424 -4.2424 -4.2286 -4.2286 -4.2204 -4.2204 3.1913 3.1913 6.5631 6.5631 7.1520 7.1520 7.3485 7.3485 8.3215 8.3215 8.5432 8.5432 8.8167 8.8167 12.5217 12.5217 12.6837 12.6837 14.6958 14.6958 14.9778 14.9778 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6903 -4.6903 -4.6876 -4.6876 -4.2424 -4.2424 -4.2286 -4.2286 -4.2204 -4.2204 3.1913 3.1913 6.5631 6.5631 7.1520 7.1520 7.3485 7.3485 8.3215 8.3215 8.5432 8.5432 8.8167 8.8167 12.5217 12.5217 12.6837 12.6837 14.6958 14.6958 14.9778 14.9778 k = 0.5039 0.2774 0.2105 ( 6530 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3569 -35.3566 -34.4949 -34.4949 -34.4927 -34.4924 -4.6903 -4.6903 -4.6877 -4.6875 -4.2424 -4.2423 -4.2287 -4.2286 -4.2204 -4.2204 3.1918 3.1928 6.5636 6.5637 7.1521 7.1521 7.3485 7.3486 8.3191 8.3239 8.5431 8.5432 8.8134 8.8190 12.5107 12.5136 12.6737 12.6739 14.6994 14.7037 14.9863 14.9863 k = 0.5078 0.2661 0.2169 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3571 -35.3564 -34.4949 -34.4949 -34.4928 -34.4923 -4.6904 -4.6904 -4.6878 -4.6874 -4.2425 -4.2423 -4.2287 -4.2285 -4.2204 -4.2204 3.1943 3.1963 6.5650 6.5652 7.1524 7.1524 7.3487 7.3488 8.3167 8.3263 8.5431 8.5432 8.8092 8.8205 12.4800 12.4865 12.6449 12.6462 14.7129 14.7207 15.0121 15.0125 k = 0.5117 0.2548 0.2233 ( 6524 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3572 -35.3563 -34.4950 -34.4950 -34.4929 -34.4921 -4.6904 -4.6904 -4.6878 -4.6872 -4.2425 -4.2423 -4.2288 -4.2284 -4.2203 -4.2203 3.1988 3.2017 6.5674 6.5677 7.1527 7.1529 7.3491 7.3492 8.3142 8.3286 8.5429 8.5434 8.8039 8.8211 12.4290 12.4401 12.6013 12.6050 14.7313 14.7414 15.0554 15.0568 k = 0.5156 0.2436 0.2296 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3574 -35.3562 -34.4950 -34.4950 -34.4930 -34.4919 -4.6905 -4.6905 -4.6877 -4.6870 -4.2425 -4.2422 -4.2288 -4.2284 -4.2203 -4.2203 3.2053 3.2091 6.5707 6.5711 7.1529 7.1534 7.3497 7.3501 8.3117 8.3307 8.5425 8.5438 8.7978 8.8211 12.3581 12.3745 12.5474 12.5544 14.7499 14.7608 15.1150 15.1174 k = 0.5195 0.2323 0.2360 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7182 -35.3576 -35.3561 -34.4951 -34.4950 -34.4931 -34.4918 -4.6906 -4.6906 -4.6877 -4.6868 -4.2426 -4.2422 -4.2289 -4.2283 -4.2203 -4.2202 3.2137 3.2185 6.5749 6.5754 7.1528 7.1538 7.3508 7.3519 8.3090 8.3324 8.5420 8.5445 8.7907 8.8206 12.2699 12.2913 12.4869 12.4972 14.7663 14.7769 15.1878 15.1898 k = 0.5234 0.2210 0.2424 ( 6516 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3926 -35.7182 -35.7182 -35.3577 -35.3560 -34.4952 -34.4951 -34.4932 -34.4916 -4.6908 -4.6907 -4.6876 -4.6866 -4.2426 -4.2421 -4.2289 -4.2282 -4.2203 -4.2202 3.2240 3.2298 6.5799 6.5805 7.1522 7.1540 7.3526 7.3547 8.3061 8.3338 8.5411 8.5454 8.7828 8.8198 12.1680 12.1936 12.4216 12.4347 14.7799 14.7896 15.2707 15.2714 k = 0.5273 0.2097 0.2488 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3579 -35.3559 -34.4952 -34.4951 -34.4932 -34.4914 -4.6909 -4.6907 -4.6875 -4.6864 -4.2426 -4.2421 -4.2290 -4.2281 -4.2202 -4.2201 3.2362 3.2429 6.5855 6.5864 7.1509 7.1536 7.3554 7.3589 8.3029 8.3346 8.5398 8.5467 8.7743 8.8188 12.0560 12.0852 12.3521 12.3675 14.7912 14.7998 15.3612 15.3622 k = 0.5312 0.1985 0.2552 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3581 -35.3558 -34.4953 -34.4951 -34.4933 -34.4913 -4.6910 -4.6908 -4.6874 -4.6861 -4.2427 -4.2420 -4.2290 -4.2280 -4.2202 -4.2200 3.2503 3.2579 6.5917 6.5930 7.1488 7.1526 7.3596 7.3647 8.2993 8.3346 8.5381 8.5482 8.7654 8.8179 11.9369 11.9691 12.2790 12.2963 14.8009 14.8083 15.4587 15.4613 k = 0.5352 0.1872 0.2615 ( 6532 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7182 -35.7181 -35.3583 -35.3557 -34.4954 -34.4952 -34.4933 -34.4911 -4.6912 -4.6909 -4.6873 -4.6859 -4.2427 -4.2420 -4.2291 -4.2279 -4.2202 -4.2199 3.2660 3.2746 6.5983 6.6000 7.1458 7.1509 7.3653 7.3724 8.2951 8.3338 8.5356 8.5498 8.7564 8.8175 11.8131 11.8479 12.2028 12.2216 14.8095 14.8158 15.5636 15.5673 k = 0.5391 0.1759 0.2679 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3585 -35.3556 -34.4955 -34.4952 -34.4933 -34.4909 -4.6913 -4.6910 -4.6872 -4.6856 -4.2427 -4.2419 -4.2292 -4.2277 -4.2202 -4.2198 3.2835 3.2930 6.6051 6.6073 7.1422 7.1484 7.3728 7.3821 8.2903 8.3319 8.5324 8.5512 8.7478 8.8178 11.6865 11.7236 12.1241 12.1441 14.8173 14.8226 15.6750 15.6797 k = 0.5430 0.1646 0.2743 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3587 -35.3556 -34.4956 -34.4953 -34.4933 -34.4908 -4.6915 -4.6911 -4.6871 -4.6854 -4.2428 -4.2418 -4.2292 -4.2276 -4.2202 -4.2196 3.3026 3.3130 6.6118 6.6147 7.1380 7.1453 7.3822 7.3939 8.2848 8.3290 8.5282 8.5517 8.7402 8.8192 11.5585 11.5977 12.0432 12.0645 14.8246 14.8290 15.7923 15.7978 k = 0.5469 0.1534 0.2807 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7180 -35.3589 -35.3555 -34.4958 -34.4953 -34.4933 -34.4906 -4.6916 -4.6912 -4.6870 -4.6851 -4.2428 -4.2417 -4.2293 -4.2274 -4.2202 -4.2195 3.3232 3.3345 6.6181 6.6219 7.1337 7.1418 7.3935 7.4078 8.2785 8.3250 8.5230 8.5508 8.7345 8.8219 11.4302 11.4712 11.9609 11.9832 14.8316 14.8352 15.9148 15.9210 k = 0.5508 0.1421 0.2870 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7180 -35.3591 -35.3555 -34.4959 -34.4954 -34.4933 -34.4905 -4.6917 -4.6912 -4.6869 -4.6849 -4.2428 -4.2417 -4.2293 -4.2273 -4.2202 -4.2193 3.3453 3.3574 6.6236 6.6285 7.1297 7.1384 7.4067 7.4237 8.2713 8.3198 8.5165 8.5477 8.7315 8.8263 11.3025 11.3452 11.8775 11.9008 14.8383 14.8411 16.0421 16.0487 k = 0.5547 0.1308 0.2934 ( 6535 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7179 -35.3592 -35.3554 -34.4960 -34.4954 -34.4933 -34.4903 -4.6918 -4.6913 -4.6868 -4.6847 -4.2429 -4.2416 -4.2294 -4.2271 -4.2202 -4.2192 3.3686 3.3817 6.6280 6.6342 7.1266 7.1355 7.4217 7.4415 8.2632 8.3134 8.5087 8.5415 8.7320 8.8324 11.1761 11.2204 11.7934 11.8176 14.8448 14.8469 16.1735 16.1805 k = 0.5586 0.1195 0.2998 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7179 -35.3594 -35.3554 -34.4961 -34.4955 -34.4933 -34.4902 -4.6919 -4.6913 -4.6867 -4.6845 -4.2429 -4.2415 -4.2295 -4.2270 -4.2202 -4.2190 3.3932 3.4071 6.6306 6.6383 7.1250 7.1337 7.4384 7.4611 8.2540 8.3059 8.4998 8.5321 8.7363 8.8405 11.0517 11.0974 11.7090 11.7341 14.8510 14.8526 16.3086 16.3159 k = 0.5625 0.1083 0.3062 ( 6545 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7178 -35.3596 -35.3554 -34.4962 -34.4955 -34.4933 -34.4901 -4.6920 -4.6914 -4.6866 -4.6843 -4.2430 -4.2414 -4.2295 -4.2268 -4.2202 -4.2188 3.4189 3.4336 6.6309 6.6404 7.1257 7.1339 7.4566 7.4824 8.2438 8.2972 8.4897 8.5195 8.7443 8.8506 10.9299 10.9767 11.6246 11.6506 14.8571 14.8582 16.4468 16.4544 k = 0.5664 0.0970 0.3126 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7178 -35.7178 -35.3598 -35.3554 -34.4963 -34.4955 -34.4933 -34.4899 -4.6921 -4.6914 -4.6866 -4.6840 -4.2430 -4.2413 -4.2296 -4.2266 -4.2203 -4.2186 3.4455 3.4610 6.6286 6.6400 7.1292 7.1365 7.4762 7.5053 8.2325 8.2873 8.4786 8.5042 8.7557 8.8626 10.8110 10.8588 11.5404 11.5673 14.8631 14.8637 16.5879 16.5957 k = 0.5703 0.0857 0.3189 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7178 -35.7177 -35.3599 -35.3554 -34.4963 -34.4956 -34.4933 -34.4898 -4.6921 -4.6914 -4.6865 -4.6839 -4.2430 -4.2412 -4.2297 -4.2264 -4.2203 -4.2184 3.4728 3.4891 6.6232 6.6366 7.1362 7.1423 7.4971 7.5296 8.2201 8.2763 8.4668 8.4868 8.7699 8.8765 10.6956 10.7442 11.4568 11.4844 14.8688 14.8690 16.7313 16.7393 k = 0.5742 0.0744 0.3253 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7177 -35.7177 -35.3601 -35.3554 -34.4964 -34.4956 -34.4933 -34.4897 -4.6922 -4.6915 -4.6864 -4.6837 -4.2431 -4.2411 -4.2298 -4.2262 -4.2204 -4.2182 3.5007 3.5178 6.6145 6.6299 7.1469 7.1518 7.5189 7.5551 8.2066 8.2640 8.4545 8.4678 8.7864 8.8919 10.5841 10.6332 11.3739 11.4023 14.8742 14.8743 16.8766 16.8848 k = 0.5781 0.0631 0.3317 ( 6531 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7177 -35.7176 -35.3602 -35.3554 -34.4965 -34.4957 -34.4933 -34.4896 -4.6922 -4.6915 -4.6864 -4.6835 -4.2431 -4.2410 -4.2298 -4.2259 -4.2204 -4.2180 3.5290 3.5468 6.6024 6.6197 7.1618 7.1652 7.5415 7.5818 8.1922 8.2505 8.4420 8.4480 8.8046 8.9088 10.4767 10.5262 11.2919 11.3211 14.8793 14.8797 17.0233 17.0316 k = 0.5820 0.0519 0.3381 ( 6529 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7176 -35.3603 -35.3554 -34.4965 -34.4957 -34.4933 -34.4895 -4.6923 -4.6915 -4.6863 -4.6834 -4.2432 -4.2409 -4.2299 -4.2257 -4.2205 -4.2178 3.5574 3.5760 6.5871 6.6061 7.1807 7.1829 7.5646 7.6095 8.1768 8.2356 8.4279 8.4297 8.8240 8.9267 10.3741 10.4237 11.2111 11.2411 14.8841 14.8848 17.1707 17.1794 k = 0.5859 0.0406 0.3445 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7175 -35.3605 -35.3555 -34.4966 -34.4957 -34.4933 -34.4895 -4.6923 -4.6915 -4.6863 -4.6832 -4.2432 -4.2409 -4.2299 -4.2255 -4.2206 -4.2176 3.5858 3.6050 6.5688 6.5893 7.2037 7.2047 7.5881 7.6380 8.1608 8.2193 8.4082 8.4178 8.8441 8.9452 10.2766 10.3260 11.1316 11.1622 14.8888 14.8897 17.3183 17.3273 k = 0.5898 0.0293 0.3508 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7175 -35.3606 -35.3555 -34.4966 -34.4958 -34.4933 -34.4894 -4.6923 -4.6914 -4.6863 -4.6831 -4.2432 -4.2408 -4.2300 -4.2253 -4.2207 -4.2175 3.6139 3.6337 6.5478 6.5696 7.2305 7.2306 7.6115 7.6670 8.1441 8.2016 8.3893 8.4066 8.8641 8.9639 10.1848 10.2338 11.0535 11.0849 14.8933 14.8943 17.4647 17.4745 k = 0.5938 0.0180 0.3572 ( 6548 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7174 -35.3607 -35.3555 -34.4967 -34.4958 -34.4933 -34.4894 -4.6923 -4.6914 -4.6863 -4.6830 -4.2432 -4.2407 -4.2300 -4.2250 -4.2207 -4.2173 3.6414 3.6618 6.5247 6.5474 7.2603 7.2610 7.6345 7.6964 8.1272 8.1825 8.3717 8.3964 8.8836 8.9820 10.0992 10.1476 10.9771 11.0092 14.8976 14.8987 17.5997 17.6158 k = 0.5977 0.0068 0.3636 ( 6543 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7174 -35.7174 -35.3608 -35.3556 -34.4967 -34.4958 -34.4933 -34.4893 -4.6923 -4.6914 -4.6863 -4.6829 -4.2433 -4.2406 -4.2301 -4.2248 -4.2208 -4.2171 3.6680 3.6889 6.4999 6.5232 7.2935 7.2948 7.6568 7.7260 8.1105 8.1621 8.3558 8.3875 8.9017 8.9987 10.0206 10.0682 10.9025 10.9353 14.9017 14.9029 17.5777 17.5836 k = 0.6016-0.0045 0.3700 ( 6543 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7174 -35.3609 -35.3556 -34.4967 -34.4958 -34.4933 -34.4893 -4.6923 -4.6913 -4.6863 -4.6829 -4.2433 -4.2406 -4.2301 -4.2246 -4.2209 -4.2170 3.6934 3.7147 6.4738 6.4975 7.3301 7.3316 7.6780 7.7552 8.0942 8.1408 8.3420 8.3802 8.9175 9.0131 9.9498 9.9966 10.8300 10.8634 14.9056 14.9069 17.5069 17.5086 k = 0.6055-0.0158 0.3764 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7173 -35.3609 -35.3557 -34.4967 -34.4959 -34.4933 -34.4893 -4.6922 -4.6913 -4.6863 -4.6828 -4.2433 -4.2405 -4.2302 -4.2243 -4.2210 -4.2169 3.7173 3.7390 6.4470 6.4708 7.3695 7.3710 7.6974 7.7839 8.0790 8.1190 8.3306 8.3747 8.9298 9.0240 9.8879 9.9339 10.7596 10.7936 14.9094 14.9106 17.4244 17.4250 k = 0.6094-0.0271 0.3827 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3610 -35.3557 -34.4967 -34.4959 -34.4933 -34.4892 -4.6922 -4.6912 -4.6863 -4.6828 -4.2433 -4.2405 -4.2302 -4.2241 -4.2211 -4.2167 3.7394 3.7613 6.4200 6.4436 7.4113 7.4126 7.7148 7.8116 8.0653 8.0974 8.3218 8.3713 8.9375 9.0298 9.8360 9.8814 10.6917 10.7262 14.9129 14.9141 17.3359 17.3378 k = 0.6133-0.0383 0.3891 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3610 -35.3558 -34.4967 -34.4959 -34.4933 -34.4892 -4.6922 -4.6911 -4.6863 -4.6828 -4.2433 -4.2404 -4.2302 -4.2239 -4.2212 -4.2166 3.7592 3.7813 6.3932 6.4165 7.4549 7.4557 7.7299 7.8377 8.0538 8.0766 8.3159 8.3702 8.9394 9.0293 9.7953 9.8404 10.6263 10.6614 14.9162 14.9174 17.2456 17.2483 k = 0.6172-0.0496 0.3955 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3610 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6911 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2238 -4.2212 -4.2166 3.7765 3.7986 6.3672 6.3899 7.4993 7.4995 7.7428 7.8617 8.0451 8.0579 8.3130 8.3716 8.9346 9.0214 9.7665 9.8120 10.5639 10.5995 14.9195 14.9205 17.1550 17.1582 k = 0.6211-0.0609 0.4019 ( 6544 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3610 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6910 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2237 -4.2212 -4.2165 3.7909 3.8130 6.3423 6.3643 7.5427 7.5430 7.7541 7.8828 8.0396 8.0429 8.3134 8.3757 8.9226 9.0057 9.7500 9.7966 10.5046 10.5405 14.9225 14.9234 17.0650 17.0684 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.6184-0.0684 0.4190 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6909 -4.6865 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2165 3.8024 3.8243 6.3204 6.3415 7.5703 7.5791 7.7736 7.9030 8.0288 8.0477 8.3176 8.3846 8.9037 8.9822 9.7406 9.7892 10.4497 10.4862 14.9307 14.9314 16.9761 16.9797 k = 0.6118-0.0646 0.4297 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6908 -4.6865 -4.6828 -4.2434 -4.2404 -4.2302 -4.2235 -4.2212 -4.2165 3.8035 3.8254 6.3243 6.3454 7.5421 7.5609 7.7926 7.9113 8.0248 8.0652 8.3190 8.3909 8.9031 8.9816 9.7260 9.7756 10.4526 10.4896 14.9464 14.9470 16.9765 16.9799 k = 0.6053-0.0608 0.4405 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6922 -4.6907 -4.6865 -4.6827 -4.2434 -4.2403 -4.2303 -4.2235 -4.2212 -4.2165 3.8052 3.8273 6.3307 6.3519 7.5049 7.5326 7.8131 7.9248 8.0231 8.0891 8.3220 8.4008 8.9021 8.9806 9.7023 9.7536 10.4570 10.4947 14.9721 14.9726 16.9770 16.9803 k = 0.5987-0.0570 0.4512 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4892 -4.6923 -4.6906 -4.6866 -4.6827 -4.2435 -4.2403 -4.2303 -4.2234 -4.2212 -4.2165 3.8076 3.8299 6.3397 6.3609 7.4629 7.4974 7.8292 7.9421 8.0245 8.1184 8.3272 8.4134 8.9007 8.9794 9.6705 9.7239 10.4624 10.5010 15.0075 15.0078 16.9776 16.9812 k = 0.5921-0.0532 0.4620 ( 6544 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3611 -35.3559 -34.4967 -34.4959 -34.4933 -34.4892 -4.6924 -4.6905 -4.6866 -4.6826 -4.2435 -4.2402 -4.2303 -4.2233 -4.2212 -4.2166 3.8107 3.8331 6.3512 6.3725 7.4183 7.4573 7.8389 7.9586 8.0332 8.1514 8.3351 8.4284 8.8988 8.9780 9.6316 9.6876 10.4684 10.5077 15.0518 15.0520 16.9783 16.9828 k = 0.5855-0.0494 0.4727 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3612 -35.3559 -34.4968 -34.4959 -34.4933 -34.4892 -4.6925 -4.6904 -4.6867 -4.6825 -4.2436 -4.2401 -4.2304 -4.2232 -4.2211 -4.2167 3.8143 3.8369 6.3652 6.3866 7.3721 7.4140 7.8433 7.9674 8.0537 8.1863 8.3462 8.4451 8.8966 8.9764 9.5868 9.6457 10.4743 10.5143 15.1038 15.1045 16.9792 16.9853 k = 0.5789-0.0456 0.4835 ( 6559 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3612 -35.3559 -34.4968 -34.4959 -34.4933 -34.4891 -4.6927 -4.6903 -4.6868 -4.6824 -4.2436 -4.2401 -4.2305 -4.2231 -4.2211 -4.2167 3.8184 3.8412 6.3817 6.4033 7.3249 7.3685 7.8442 7.9683 8.0843 8.2212 8.3614 8.4632 8.8938 8.9749 9.5371 9.5993 10.4798 10.5204 15.1626 15.1641 16.9808 16.9889 k = 0.5724-0.0418 0.4942 ( 6564 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3613 -35.3559 -34.4968 -34.4960 -34.4933 -34.4891 -4.6928 -4.6902 -4.6869 -4.6823 -4.2437 -4.2400 -4.2305 -4.2230 -4.2211 -4.2168 3.8229 3.8460 6.4007 6.4225 7.2771 7.3214 7.8429 7.9648 8.1199 8.2545 8.3812 8.4825 8.8904 8.9737 9.4836 9.5495 10.4845 10.5256 15.2271 15.2295 16.9832 16.9938 k = 0.5658-0.0380 0.5049 ( 6562 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3613 -35.3558 -34.4968 -34.4960 -34.4933 -34.4891 -4.6929 -4.6900 -4.6869 -4.6822 -4.2438 -4.2399 -4.2306 -4.2229 -4.2210 -4.2169 3.8277 3.8512 6.4221 6.4441 7.2290 7.2734 7.8403 7.9592 8.1575 8.2848 8.4063 8.5027 8.8864 8.9728 9.4272 9.4972 10.4883 10.5297 15.2956 15.2991 16.9872 17.0006 k = 0.5592-0.0342 0.5157 ( 6561 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3614 -35.3558 -34.4969 -34.4960 -34.4933 -34.4890 -4.6930 -4.6899 -4.6870 -4.6821 -4.2438 -4.2398 -4.2306 -4.2227 -4.2210 -4.2170 3.8328 3.8565 6.4459 6.4681 7.1807 7.2248 7.8370 7.9526 8.1952 8.3115 8.4363 8.5237 8.8815 8.9726 9.3687 9.4434 10.4910 10.5326 15.3664 15.3712 16.9933 17.0096 k = 0.5526-0.0304 0.5264 ( 6553 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3614 -35.3558 -34.4969 -34.4960 -34.4933 -34.4890 -4.6931 -4.6898 -4.6871 -4.6820 -4.2439 -4.2397 -4.2307 -4.2226 -4.2209 -4.2171 3.8380 3.8620 6.4720 6.4945 7.1325 7.1759 7.8332 7.9456 8.2319 8.3352 8.4702 8.5456 8.8756 8.9733 9.3091 9.3891 10.4928 10.5343 15.4376 15.4438 17.0024 17.0216 k = 0.5461-0.0266 0.5372 ( 6561 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3615 -35.3558 -34.4969 -34.4960 -34.4933 -34.4889 -4.6932 -4.6897 -4.6872 -4.6819 -4.2440 -4.2397 -4.2307 -4.2225 -4.2209 -4.2172 3.8432 3.8675 6.5004 6.5232 7.0846 7.1270 7.8293 7.9386 8.2665 8.3569 8.5061 8.5687 8.8684 8.9749 9.2493 9.3352 10.4935 10.5350 15.5070 15.5145 17.0154 17.0373 k = 0.5395-0.0228 0.5479 ( 6575 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3615 -35.3558 -34.4970 -34.4960 -34.4933 -34.4889 -4.6933 -4.6896 -4.6873 -4.6818 -4.2440 -4.2396 -4.2308 -4.2225 -4.2208 -4.2173 3.8483 3.8728 6.5308 6.5540 7.0371 7.0784 7.8256 7.9317 8.2978 8.3777 8.5420 8.5939 8.8596 8.9772 9.1906 9.2829 10.4934 10.5348 15.5721 15.5808 17.0334 17.0572 k = 0.5329-0.0190 0.5587 ( 6580 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6933 -4.6895 -4.6873 -4.6817 -4.2441 -4.2396 -4.2308 -4.2224 -4.2208 -4.2173 3.8530 3.8779 6.5631 6.5867 6.9903 7.0304 7.8221 7.9253 8.3245 8.3981 8.5763 8.6221 8.8488 8.9790 9.1349 9.2333 10.4926 10.5338 15.6306 15.6403 17.0570 17.0816 k = 0.5263-0.0152 0.5694 ( 6586 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6895 -4.6874 -4.6817 -4.2441 -4.2395 -4.2309 -4.2223 -4.2207 -4.2174 3.8573 3.8824 6.5971 6.6212 6.9444 6.9833 7.8189 7.9196 8.3460 8.4179 8.6084 8.6535 8.8358 8.9766 9.0869 9.1876 10.4914 10.5324 15.6804 15.6906 17.0861 17.1100 k = 0.5197-0.0114 0.5801 ( 6596 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6894 -4.6874 -4.6816 -4.2441 -4.2395 -4.2309 -4.2223 -4.2207 -4.2175 3.8609 3.8862 6.6323 6.6569 6.8999 6.9378 7.8163 7.9148 8.3621 8.4358 8.6391 8.6862 8.8202 8.9611 9.0569 9.1474 10.4900 10.5307 15.7197 15.7302 17.1193 17.1407 k = 0.5132-0.0076 0.5909 ( 6600 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6935 -4.6894 -4.6875 -4.6816 -4.2441 -4.2394 -4.2309 -4.2222 -4.2207 -4.2175 3.8638 3.8892 6.6676 6.6925 6.8580 6.8951 7.8144 7.9111 8.3732 8.4501 8.6699 8.7169 8.8022 8.9299 9.0495 9.1142 10.4886 10.5291 15.7476 15.7579 17.1528 17.1698 k = 0.5066-0.0038 0.6016 ( 6598 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8656 3.8912 6.6998 6.7244 6.8219 6.8591 7.8131 7.9087 8.3798 8.4593 8.6995 8.7405 8.7821 8.8988 9.0541 9.0897 10.4876 10.5279 15.7639 15.7740 17.1792 17.1915 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8663 3.8919 6.7160 6.7398 6.8044 6.8422 7.8126 7.9078 8.3820 8.4625 8.7152 8.7598 8.7599 8.8860 9.0586 9.0792 10.4872 10.5275 15.7691 15.7791 17.1895 17.1999 k = 0.5000 0.0000 0.6124 ( 6588 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6893 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8663 3.8919 6.7160 6.7398 6.8044 6.8422 7.8126 7.9078 8.3820 8.4625 8.7152 8.7598 8.7599 8.8860 9.0586 9.0792 10.4872 10.5275 15.7691 15.7791 17.1895 17.1999 k = 0.5000 0.0078 0.6013 ( 6600 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6894 -4.6875 -4.6816 -4.2442 -4.2394 -4.2309 -4.2222 -4.2206 -4.2175 3.8647 3.8902 6.7166 6.7404 6.8045 6.8428 7.8132 7.9094 8.3773 8.4556 8.6919 8.7260 8.7979 8.9109 9.0510 9.0947 10.4904 10.5307 15.7658 15.7763 17.1844 17.1980 k = 0.5000 0.0156 0.5903 ( 6604 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3617 -35.3557 -34.4971 -34.4960 -34.4933 -34.4888 -4.6935 -4.6894 -4.6874 -4.6816 -4.2441 -4.2394 -4.2309 -4.2223 -4.2206 -4.2176 3.8600 3.8854 6.7183 6.7421 6.8046 6.8446 7.8150 7.9140 8.3628 8.4352 8.6524 8.6932 8.8325 8.9632 9.0451 9.1279 10.4999 10.5405 15.7559 15.7681 17.1696 17.1906 k = 0.5000 0.0234 0.5793 ( 6594 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6935 -4.6895 -4.6874 -4.6816 -4.2441 -4.2395 -4.2309 -4.2225 -4.2205 -4.2176 3.8521 3.8774 6.7209 6.7448 6.8051 6.8477 7.8177 7.9217 8.3373 8.4030 8.6157 8.6672 8.8567 9.0020 9.0669 9.1754 10.5156 10.5567 15.7399 15.7544 17.1457 17.1757 k = 0.5000 0.0312 0.5682 ( 6582 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6896 -4.6873 -4.6817 -4.2441 -4.2395 -4.2309 -4.2227 -4.2204 -4.2176 3.8413 3.8664 6.7238 6.7481 6.8062 6.8525 7.8214 7.9321 8.3008 8.3624 8.5861 8.6497 8.8696 9.0032 9.1338 9.2362 10.5374 10.5792 15.7187 15.7356 17.1127 17.1521 k = 0.5000 0.0390 0.5572 ( 6582 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3616 -35.3557 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6897 -4.6872 -4.6817 -4.2441 -4.2396 -4.2308 -4.2229 -4.2203 -4.2176 3.8277 3.8525 6.7265 6.7515 6.8086 6.8591 7.8256 7.9449 8.2554 8.3172 8.5643 8.6387 8.8733 8.9951 9.2148 9.3075 10.5650 10.6077 15.6927 15.7121 17.0714 17.1198 k = 0.5000 0.0468 0.5462 ( 6574 PWs) bands (ev): -67.7733 -67.7733 -38.3934 -38.3927 -35.7172 -35.7172 -35.3615 -35.3556 -34.4970 -34.4960 -34.4933 -34.4888 -4.6934 -4.6899 -4.6871 -4.6818 -4.2440 -4.2396 -4.2308 -4.2231 -4.2201 -4.2177 3.8115 3.8360 6.7285 6.7543 6.8130 6.8676 7.8298 7.9597 8.2042 8.2705 8.5486 8.6318 8.8703 8.9848 9.3014 9.3866 10.5983 10.6419 15.6628 15.6844 17.0230 17.0793 k = 0.5000 0.0546 0.5351 ( 6568 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3614 -35.3556 -34.4970 -34.4960 -34.4933 -34.4889 -4.6933 -4.6900 -4.6870 -4.6819 -4.2440 -4.2397 -4.2307 -4.2233 -4.2201 -4.2177 3.7928 3.8169 6.7295 6.7556 6.8202 6.8780 7.8329 7.9758 8.1506 8.2253 8.5374 8.6276 8.8625 8.9735 9.3918 9.4716 10.6369 10.6816 15.6294 15.6531 16.9687 17.0319 k = 0.5000 0.0624 0.5241 ( 6568 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7173 -35.7173 -35.3614 -35.3556 -34.4970 -34.4959 -34.4933 -34.4889 -4.6933 -4.6901 -4.6869 -4.6820 -4.2439 -4.2398 -4.2307 -4.2236 -4.2200 -4.2178 3.7720 3.7957 6.7292 6.7551 6.8303 6.8903 7.8335 7.9919 8.0974 8.1844 8.5290 8.6251 8.8515 8.9615 9.4853 9.5613 10.6807 10.7265 15.5933 15.6188 16.9097 16.9788 k = 0.5000 0.0702 0.5131 ( 6566 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7173 -35.7173 -35.3613 -35.3556 -34.4969 -34.4959 -34.4933 -34.4890 -4.6932 -4.6903 -4.6868 -4.6821 -4.2439 -4.2399 -4.2306 -4.2238 -4.2199 -4.2179 3.7492 3.7725 6.7279 6.7529 6.8431 6.9043 7.8295 8.0005 8.0523 8.1511 8.5225 8.6238 8.8381 8.9491 9.5817 9.6548 10.7292 10.7762 15.5551 15.5822 16.8468 16.9210 k = 0.5000 0.0780 0.5020 ( 6554 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7173 -35.3612 -35.3555 -34.4969 -34.4959 -34.4933 -34.4890 -4.6932 -4.6904 -4.6867 -4.6822 -4.2438 -4.2400 -4.2305 -4.2241 -4.2198 -4.2180 3.7248 3.7475 6.7255 6.7492 6.8579 6.9195 7.8188 7.9725 8.0442 8.1291 8.5172 8.6232 8.8233 8.9364 9.6807 9.7517 10.7823 10.8305 15.5152 15.5436 16.7809 16.8596 k = 0.5000 0.0858 0.4910 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7174 -35.3611 -35.3555 -34.4969 -34.4959 -34.4933 -34.4891 -4.6931 -4.6905 -4.6867 -4.6823 -4.2438 -4.2401 -4.2305 -4.2244 -4.2198 -4.2181 3.6990 3.7212 6.7222 6.7443 6.8745 6.9358 7.8000 7.9242 8.0553 8.1213 8.5129 8.6233 8.8074 8.9236 9.7821 9.8516 10.8396 10.8890 15.4740 15.5036 16.7124 16.7951 k = 0.5000 0.0936 0.4800 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7174 -35.3610 -35.3555 -34.4968 -34.4958 -34.4933 -34.4891 -4.6931 -4.6906 -4.6866 -4.6825 -4.2437 -4.2402 -4.2304 -4.2246 -4.2197 -4.2181 3.6721 3.6937 6.7180 6.7385 6.8921 6.9529 7.7737 7.8745 8.0668 8.1275 8.5093 8.6237 8.7909 8.9110 9.8860 9.9542 10.9009 10.9515 15.4321 15.4625 16.6419 16.7280 k = 0.5000 0.1014 0.4689 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7174 -35.3608 -35.3554 -34.4968 -34.4958 -34.4933 -34.4892 -4.6930 -4.6908 -4.6866 -4.6826 -4.2436 -4.2403 -4.2303 -4.2249 -4.2197 -4.2183 3.6443 3.6652 6.7132 6.7320 6.9106 6.9703 7.7418 7.8258 8.0786 8.1431 8.5062 8.6245 8.7744 8.8987 9.9922 10.0595 10.9658 11.0177 15.3897 15.4208 16.5695 16.6589 k = 0.5000 0.1092 0.4579 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7175 -35.3607 -35.3554 -34.4967 -34.4958 -34.4933 -34.4893 -4.6929 -4.6909 -4.6866 -4.6828 -4.2436 -4.2404 -4.2302 -4.2251 -4.2197 -4.2184 3.6159 3.6362 6.7076 6.7248 6.9295 6.9880 7.7067 7.7789 8.0924 8.1630 8.5037 8.6254 8.7582 8.8869 10.1008 10.1673 11.0342 11.0873 15.3471 15.3788 16.4957 16.5878 k = 0.5000 0.1170 0.4469 ( 6542 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7175 -35.3606 -35.3554 -34.4967 -34.4957 -34.4933 -34.4894 -4.6928 -4.6909 -4.6865 -4.6830 -4.2435 -4.2406 -4.2301 -4.2254 -4.2197 -4.2185 3.5871 3.6067 6.7015 6.7170 6.9488 7.0057 7.6703 7.7340 8.1083 8.1845 8.5017 8.6262 8.7427 8.8757 10.2116 10.2776 11.1057 11.1600 15.3047 15.3367 16.4205 16.5152 k = 0.5000 0.1248 0.4358 ( 6540 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7176 -35.3604 -35.3554 -34.4966 -34.4957 -34.4933 -34.4895 -4.6927 -4.6910 -4.6865 -4.6831 -4.2434 -4.2407 -4.2300 -4.2256 -4.2197 -4.2186 3.5582 3.5770 6.6949 6.7088 6.9680 7.0231 7.6339 7.6913 8.1259 8.2061 8.5004 8.6267 8.7286 8.8652 10.3247 10.3902 11.1801 11.2355 15.2627 15.2948 16.3441 16.4410 k = 0.5000 0.1326 0.4248 ( 6538 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7177 -35.7176 -35.3603 -35.3554 -34.4965 -34.4957 -34.4933 -34.4896 -4.6926 -4.6911 -4.6865 -4.6833 -4.2433 -4.2408 -4.2300 -4.2259 -4.2197 -4.2187 3.5294 3.5474 6.6879 6.7002 6.9871 7.0400 7.5985 7.6509 8.1444 8.2270 8.4999 8.6264 8.7163 8.8556 10.4401 10.5050 11.2571 11.3135 15.2213 15.2533 16.2667 16.3655 k = 0.5000 0.1404 0.4138 ( 6536 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7177 -35.7177 -35.3601 -35.3554 -34.4964 -34.4956 -34.4933 -34.4897 -4.6925 -4.6911 -4.6866 -4.6835 -4.2433 -4.2409 -4.2299 -4.2261 -4.2197 -4.2188 3.5008 3.5181 6.6804 6.6913 7.0058 7.0563 7.5646 7.6129 8.1633 8.2467 8.5001 8.6246 8.7069 8.8470 10.5576 10.6220 11.3363 11.3937 15.1807 15.2126 16.1882 16.2887 k = 0.5000 0.1482 0.4027 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7178 -35.7177 -35.3599 -35.3554 -34.4964 -34.4956 -34.4933 -34.4898 -4.6924 -4.6912 -4.6866 -4.6837 -4.2432 -4.2411 -4.2298 -4.2263 -4.2197 -4.2190 3.4727 3.4892 6.6726 6.6821 7.0240 7.0719 7.5327 7.5774 8.1819 8.2645 8.5012 8.6207 8.7010 8.8393 10.6772 10.7411 11.4176 11.4758 15.1412 15.1727 16.1089 16.2109 k = 0.5000 0.1560 0.3917 ( 6528 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7178 -35.7178 -35.3598 -35.3554 -34.4963 -34.4955 -34.4933 -34.4899 -4.6923 -4.6912 -4.6866 -4.6840 -4.2431 -4.2412 -4.2297 -4.2265 -4.2198 -4.2191 3.4452 3.4609 6.6645 6.6727 7.0415 7.0865 7.5031 7.5445 8.1999 8.2803 8.5032 8.6147 8.6989 8.8327 10.7987 10.8620 11.5006 11.5593 15.1028 15.1338 16.0289 16.1320 k = 0.5000 0.1638 0.3807 ( 6530 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7178 -35.3596 -35.3554 -34.4962 -34.4955 -34.4933 -34.4900 -4.6922 -4.6912 -4.6867 -4.6842 -4.2431 -4.2413 -4.2296 -4.2267 -4.2198 -4.2192 3.4186 3.4334 6.6562 6.6632 7.0581 7.1000 7.4760 7.5141 8.2169 8.2939 8.5061 8.6070 8.7003 8.8272 10.9221 10.9848 11.5850 11.6441 15.0658 15.0962 15.9483 16.0523 k = 0.5000 0.1716 0.3696 ( 6532 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7179 -35.3594 -35.3554 -34.4961 -34.4955 -34.4933 -34.4902 -4.6920 -4.6912 -4.6868 -4.6844 -4.2430 -4.2414 -4.2295 -4.2269 -4.2198 -4.2193 3.3929 3.4068 6.6478 6.6537 7.0738 7.1122 7.4515 7.4864 8.2325 8.3052 8.5096 8.5984 8.7044 8.8228 11.0472 11.1090 11.6703 11.7295 15.0303 15.0599 15.8673 15.9719 k = 0.5000 0.1794 0.3586 ( 6528 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7179 -35.3592 -35.3554 -34.4960 -34.4954 -34.4933 -34.4903 -4.6919 -4.6912 -4.6869 -4.6846 -4.2429 -4.2415 -4.2294 -4.2271 -4.2199 -4.2195 3.3683 3.3814 6.6393 6.6442 7.0883 7.1231 7.4299 7.4613 8.2467 8.3143 8.5137 8.5896 8.7105 8.8195 11.1736 11.2344 11.7563 11.8153 14.9964 15.0251 15.7862 15.8911 k = 0.5000 0.1872 0.3476 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7180 -35.3591 -35.3555 -34.4959 -34.4954 -34.4933 -34.4905 -4.6918 -4.6911 -4.6869 -4.6849 -4.2429 -4.2416 -4.2294 -4.2273 -4.2199 -4.2196 3.3449 3.3571 6.6308 6.6349 7.1015 7.1324 7.4111 7.4389 8.2592 8.3214 8.5181 8.5811 8.7181 8.8172 11.3011 11.3607 11.8424 11.9009 14.9642 14.9919 15.7053 15.8101 k = 0.5000 0.1951 0.3365 ( 6532 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7180 -35.3589 -35.3555 -34.4958 -34.4953 -34.4933 -34.4906 -4.6916 -4.6911 -4.6870 -4.6851 -4.2428 -4.2417 -4.2293 -4.2274 -4.2200 -4.2197 3.3229 3.3342 6.6224 6.6257 7.1133 7.1401 7.3951 7.4193 8.2700 8.3267 8.5224 8.5734 8.7267 8.8158 11.4292 11.4874 11.9283 11.9858 14.9338 14.9604 15.6250 15.7294 k = 0.5000 0.2029 0.3255 ( 6528 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3587 -35.3556 -34.4956 -34.4953 -34.4933 -34.4908 -4.6915 -4.6910 -4.6871 -4.6854 -4.2428 -4.2418 -4.2292 -4.2276 -4.2200 -4.2198 3.3023 3.3127 6.6143 6.6169 7.1236 7.1461 7.3821 7.4024 8.2791 8.3306 8.5266 8.5665 8.7361 8.8153 11.5574 11.6139 12.0134 12.0694 14.9054 14.9307 15.5457 15.6494 k = 0.5000 0.2107 0.3145 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3585 -35.3556 -34.4955 -34.4952 -34.4933 -34.4909 -4.6914 -4.6910 -4.6872 -4.6856 -4.2427 -4.2419 -4.2292 -4.2277 -4.2201 -4.2199 3.2833 3.2927 6.6064 6.6085 7.1322 7.1505 7.3717 7.3882 8.2868 8.3331 8.5303 8.5606 8.7457 8.8155 11.6850 11.7393 12.0972 12.1511 14.8789 14.9029 15.4681 15.5707 k = 0.5000 0.2185 0.3034 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7182 -35.7181 -35.3583 -35.3557 -34.4954 -34.4952 -34.4933 -34.4911 -4.6912 -4.6909 -4.6873 -4.6859 -4.2427 -4.2419 -4.2291 -4.2279 -4.2201 -4.2200 3.2658 3.2744 6.5990 6.6006 7.1391 7.1533 7.3638 7.3766 8.2930 8.3346 8.5336 8.5558 8.7555 8.8162 11.8110 11.8626 12.1791 12.2301 14.8543 14.8768 15.3928 15.4939 k = 0.5000 0.2263 0.2924 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3581 -35.3558 -34.4953 -34.4951 -34.4933 -34.4913 -4.6911 -4.6908 -4.6874 -4.6861 -4.2427 -4.2420 -4.2290 -4.2280 -4.2202 -4.2201 3.2501 3.2577 6.5920 6.5932 7.1444 7.1549 7.3581 7.3675 8.2981 8.3351 8.5363 8.5519 8.7651 8.8173 11.9342 11.9823 12.2585 12.3057 14.8315 14.8524 15.3205 15.4198 k = 0.5000 0.2341 0.2814 ( 6518 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3579 -35.3559 -34.4952 -34.4951 -34.4932 -34.4914 -4.6909 -4.6907 -4.6875 -4.6864 -4.2426 -4.2421 -4.2290 -4.2281 -4.2202 -4.2201 3.2361 3.2428 6.5856 6.5865 7.1481 7.1554 7.3542 7.3607 8.3023 8.3348 8.5385 8.5489 8.7742 8.8185 12.0529 12.0965 12.3350 12.3771 14.8104 14.8294 15.2523 15.3492 k = 0.5000 0.2419 0.2703 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3926 -35.7182 -35.7182 -35.3577 -35.3560 -34.4952 -34.4951 -34.4932 -34.4916 -4.6908 -4.6906 -4.6876 -4.6866 -4.2426 -4.2421 -4.2289 -4.2282 -4.2202 -4.2202 3.2240 3.2297 6.5799 6.5805 7.1505 7.1552 7.3517 7.3558 8.3058 8.3339 8.5402 8.5467 8.7829 8.8196 12.1649 12.2027 12.4080 12.4437 14.7904 14.8075 15.1889 15.2832 k = 0.5000 0.2497 0.2593 ( 6514 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7182 -35.3576 -35.3561 -34.4951 -34.4950 -34.4931 -34.4918 -4.6906 -4.6906 -4.6877 -4.6868 -4.2426 -4.2422 -4.2289 -4.2283 -4.2203 -4.2203 3.2137 3.2184 6.5749 6.5754 7.1519 7.1546 7.3502 7.3525 8.3089 8.3325 8.5414 8.5451 8.7907 8.8206 12.2672 12.2977 12.4772 12.5047 14.7711 14.7861 15.1316 15.2227 k = 0.5000 0.2575 0.2483 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3574 -35.3562 -34.4950 -34.4950 -34.4930 -34.4919 -4.6905 -4.6905 -4.6877 -4.6870 -4.2425 -4.2422 -4.2288 -4.2284 -4.2203 -4.2203 3.2053 3.2091 6.5707 6.5711 7.1524 7.1538 7.3493 7.3505 8.3116 8.3307 8.5422 8.5441 8.7978 8.8211 12.3563 12.3782 12.5415 12.5597 14.7515 14.7644 15.0814 15.1542 k = 0.5000 0.2653 0.2372 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3572 -35.3563 -34.4950 -34.4950 -34.4929 -34.4921 -4.6904 -4.6904 -4.6878 -4.6872 -4.2425 -4.2423 -4.2288 -4.2284 -4.2203 -4.2203 3.1988 3.2017 6.5674 6.5676 7.1525 7.1531 7.3489 7.3494 8.3142 8.3286 8.5428 8.5436 8.8040 8.8211 12.4282 12.4417 12.5985 12.6079 14.7316 14.7422 15.0394 15.0732 k = 0.5000 0.2731 0.2262 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3570 -35.3564 -34.4949 -34.4949 -34.4928 -34.4923 -4.6904 -4.6904 -4.6878 -4.6874 -4.2425 -4.2423 -4.2287 -4.2285 -4.2204 -4.2204 3.1943 3.1962 6.5650 6.5652 7.1523 7.1525 7.3487 7.3488 8.3167 8.3263 8.5430 8.5433 8.8092 8.8205 12.4799 12.4869 12.6441 12.6473 14.7128 14.7207 15.0070 15.0175 k = 0.5000 0.2809 0.2152 ( 6528 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3569 -35.3566 -34.4949 -34.4949 -34.4927 -34.4924 -4.6903 -4.6903 -4.6877 -4.6875 -4.2424 -4.2423 -4.2287 -4.2286 -4.2204 -4.2204 3.1918 3.1928 6.5636 6.5637 7.1521 7.1521 7.3485 7.3486 8.3191 8.3239 8.5431 8.5432 8.8134 8.8190 12.5108 12.5136 12.6736 12.6740 14.6994 14.7037 14.9856 14.9870 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6903 -4.6903 -4.6876 -4.6876 -4.2424 -4.2424 -4.2286 -4.2286 -4.2204 -4.2204 3.1913 3.1913 6.5631 6.5631 7.1520 7.1520 7.3485 7.3485 8.3215 8.3215 8.5432 8.5432 8.8167 8.8167 12.5217 12.5217 12.6837 12.6837 14.6958 14.6958 14.9778 14.9778 k = 0.5000 0.2887 0.2041 ( 6550 PWs) bands (ev): -67.7733 -67.7733 -38.3926 -38.3926 -35.7183 -35.7183 -35.3567 -35.3567 -34.4949 -34.4949 -34.4926 -34.4926 -4.6903 -4.6903 -4.6876 -4.6876 -4.2424 -4.2424 -4.2286 -4.2286 -4.2204 -4.2204 3.1913 3.1913 6.5631 6.5631 7.1520 7.1520 7.3485 7.3485 8.3215 8.3215 8.5432 8.5432 8.8167 8.8167 12.5217 12.5217 12.6837 12.6837 14.6958 14.6958 14.9778 14.9778 k = 0.4961 0.2864 0.2169 ( 6530 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3569 -35.3566 -34.4949 -34.4949 -34.4927 -34.4924 -4.6903 -4.6903 -4.6877 -4.6875 -4.2424 -4.2423 -4.2287 -4.2286 -4.2204 -4.2204 3.1918 3.1928 6.5636 6.5637 7.1521 7.1521 7.3485 7.3486 8.3191 8.3239 8.5431 8.5432 8.8134 8.8190 12.5107 12.5136 12.6737 12.6739 14.6994 14.7037 14.9863 14.9863 k = 0.4922 0.2842 0.2296 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3571 -35.3564 -34.4949 -34.4949 -34.4928 -34.4923 -4.6904 -4.6904 -4.6878 -4.6874 -4.2425 -4.2423 -4.2287 -4.2285 -4.2204 -4.2204 3.1943 3.1963 6.5650 6.5652 7.1524 7.1524 7.3487 7.3488 8.3167 8.3263 8.5431 8.5432 8.8092 8.8205 12.4800 12.4865 12.6449 12.6462 14.7129 14.7207 15.0121 15.0125 k = 0.4883 0.2819 0.2424 ( 6524 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3572 -35.3563 -34.4950 -34.4950 -34.4929 -34.4921 -4.6904 -4.6904 -4.6878 -4.6872 -4.2425 -4.2423 -4.2288 -4.2284 -4.2203 -4.2203 3.1988 3.2017 6.5674 6.5677 7.1527 7.1529 7.3491 7.3492 8.3142 8.3286 8.5429 8.5434 8.8039 8.8211 12.4290 12.4401 12.6013 12.6050 14.7313 14.7414 15.0554 15.0568 k = 0.4844 0.2797 0.2552 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7183 -35.3574 -35.3562 -34.4950 -34.4950 -34.4930 -34.4919 -4.6905 -4.6905 -4.6877 -4.6870 -4.2425 -4.2422 -4.2288 -4.2284 -4.2203 -4.2203 3.2053 3.2091 6.5707 6.5711 7.1529 7.1534 7.3497 7.3501 8.3117 8.3307 8.5425 8.5438 8.7978 8.8211 12.3581 12.3745 12.5474 12.5544 14.7499 14.7608 15.1150 15.1174 k = 0.4805 0.2774 0.2679 ( 6520 PWs) bands (ev): -67.7733 -67.7733 -38.3927 -38.3926 -35.7183 -35.7182 -35.3576 -35.3561 -34.4951 -34.4950 -34.4931 -34.4918 -4.6906 -4.6906 -4.6877 -4.6868 -4.2426 -4.2422 -4.2289 -4.2283 -4.2203 -4.2202 3.2137 3.2185 6.5749 6.5754 7.1528 7.1538 7.3508 7.3519 8.3090 8.3324 8.5420 8.5445 8.7907 8.8206 12.2699 12.2913 12.4869 12.4972 14.7663 14.7769 15.1878 15.1898 k = 0.4766 0.2751 0.2807 ( 6516 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3926 -35.7182 -35.7182 -35.3577 -35.3560 -34.4952 -34.4951 -34.4932 -34.4916 -4.6908 -4.6907 -4.6876 -4.6866 -4.2426 -4.2421 -4.2289 -4.2282 -4.2203 -4.2202 3.2240 3.2298 6.5799 6.5805 7.1522 7.1540 7.3526 7.3547 8.3061 8.3338 8.5411 8.5454 8.7828 8.8198 12.1680 12.1936 12.4216 12.4347 14.7799 14.7896 15.2707 15.2714 k = 0.4727 0.2729 0.2934 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3579 -35.3559 -34.4952 -34.4951 -34.4932 -34.4914 -4.6909 -4.6907 -4.6875 -4.6864 -4.2426 -4.2421 -4.2290 -4.2281 -4.2202 -4.2201 3.2362 3.2429 6.5855 6.5864 7.1509 7.1536 7.3554 7.3589 8.3029 8.3346 8.5398 8.5467 8.7743 8.8188 12.0560 12.0852 12.3521 12.3675 14.7912 14.7998 15.3612 15.3622 k = 0.4688 0.2706 0.3062 ( 6522 PWs) bands (ev): -67.7733 -67.7733 -38.3928 -38.3925 -35.7182 -35.7182 -35.3581 -35.3558 -34.4953 -34.4951 -34.4933 -34.4913 -4.6910 -4.6908 -4.6874 -4.6861 -4.2427 -4.2420 -4.2290 -4.2280 -4.2202 -4.2200 3.2503 3.2579 6.5917 6.5930 7.1488 7.1526 7.3596 7.3647 8.2993 8.3346 8.5381 8.5482 8.7654 8.8179 11.9369 11.9691 12.2790 12.2963 14.8009 14.8083 15.4587 15.4613 k = 0.4648 0.2684 0.3189 ( 6532 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7182 -35.7181 -35.3583 -35.3557 -34.4954 -34.4952 -34.4933 -34.4911 -4.6912 -4.6909 -4.6873 -4.6859 -4.2427 -4.2420 -4.2291 -4.2279 -4.2202 -4.2199 3.2660 3.2746 6.5983 6.6000 7.1458 7.1509 7.3653 7.3724 8.2951 8.3338 8.5356 8.5498 8.7564 8.8175 11.8131 11.8479 12.2028 12.2216 14.8095 14.8158 15.5636 15.5673 k = 0.4609 0.2661 0.3317 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3585 -35.3556 -34.4955 -34.4952 -34.4933 -34.4909 -4.6913 -4.6910 -4.6872 -4.6856 -4.2427 -4.2419 -4.2292 -4.2277 -4.2202 -4.2198 3.2835 3.2930 6.6051 6.6073 7.1422 7.1484 7.3728 7.3821 8.2903 8.3319 8.5324 8.5512 8.7478 8.8178 11.6865 11.7236 12.1241 12.1441 14.8173 14.8226 15.6750 15.6797 k = 0.4570 0.2639 0.3445 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7181 -35.3587 -35.3556 -34.4956 -34.4953 -34.4933 -34.4908 -4.6915 -4.6911 -4.6871 -4.6854 -4.2428 -4.2418 -4.2292 -4.2276 -4.2202 -4.2196 3.3026 3.3130 6.6118 6.6147 7.1380 7.1453 7.3822 7.3939 8.2848 8.3290 8.5282 8.5517 8.7402 8.8192 11.5585 11.5977 12.0432 12.0645 14.8246 14.8290 15.7923 15.7978 k = 0.4531 0.2616 0.3572 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3929 -38.3925 -35.7181 -35.7180 -35.3589 -35.3555 -34.4958 -34.4953 -34.4933 -34.4906 -4.6916 -4.6912 -4.6870 -4.6851 -4.2428 -4.2417 -4.2293 -4.2274 -4.2202 -4.2195 3.3232 3.3345 6.6181 6.6219 7.1337 7.1418 7.3935 7.4078 8.2785 8.3250 8.5230 8.5508 8.7345 8.8219 11.4302 11.4712 11.9609 11.9832 14.8316 14.8352 15.9148 15.9210 k = 0.4492 0.2594 0.3700 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7180 -35.3591 -35.3555 -34.4959 -34.4954 -34.4933 -34.4905 -4.6917 -4.6912 -4.6869 -4.6849 -4.2428 -4.2417 -4.2293 -4.2273 -4.2202 -4.2193 3.3453 3.3574 6.6236 6.6285 7.1297 7.1384 7.4067 7.4237 8.2713 8.3198 8.5165 8.5477 8.7315 8.8263 11.3025 11.3452 11.8775 11.9008 14.8383 14.8411 16.0421 16.0487 k = 0.4453 0.2571 0.3827 ( 6535 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7180 -35.7179 -35.3592 -35.3554 -34.4960 -34.4954 -34.4933 -34.4903 -4.6918 -4.6913 -4.6868 -4.6847 -4.2429 -4.2416 -4.2294 -4.2271 -4.2202 -4.2192 3.3686 3.3817 6.6280 6.6342 7.1266 7.1355 7.4217 7.4415 8.2632 8.3134 8.5087 8.5415 8.7320 8.8324 11.1761 11.2204 11.7934 11.8176 14.8448 14.8469 16.1735 16.1805 k = 0.4414 0.2548 0.3955 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7179 -35.3594 -35.3554 -34.4961 -34.4955 -34.4933 -34.4902 -4.6919 -4.6913 -4.6867 -4.6845 -4.2429 -4.2415 -4.2295 -4.2270 -4.2202 -4.2190 3.3932 3.4071 6.6306 6.6383 7.1250 7.1337 7.4384 7.4611 8.2540 8.3059 8.4998 8.5321 8.7363 8.8405 11.0517 11.0974 11.7090 11.7341 14.8510 14.8526 16.3086 16.3159 k = 0.4375 0.2526 0.4082 ( 6545 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3925 -35.7179 -35.7178 -35.3596 -35.3554 -34.4962 -34.4955 -34.4933 -34.4901 -4.6920 -4.6914 -4.6866 -4.6843 -4.2430 -4.2414 -4.2295 -4.2268 -4.2202 -4.2188 3.4189 3.4336 6.6309 6.6404 7.1257 7.1339 7.4566 7.4824 8.2438 8.2972 8.4897 8.5195 8.7443 8.8506 10.9299 10.9767 11.6246 11.6506 14.8571 14.8582 16.4468 16.4544 k = 0.4336 0.2503 0.4210 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3925 -35.7178 -35.7178 -35.3598 -35.3554 -34.4963 -34.4955 -34.4933 -34.4899 -4.6921 -4.6914 -4.6866 -4.6840 -4.2430 -4.2413 -4.2296 -4.2266 -4.2203 -4.2186 3.4454 3.4610 6.6286 6.6400 7.1293 7.1365 7.4762 7.5053 8.2325 8.2873 8.4786 8.5042 8.7557 8.8626 10.8110 10.8588 11.5404 11.5673 14.8631 14.8637 16.5879 16.5957 k = 0.4297 0.2481 0.4338 ( 6534 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7178 -35.7177 -35.3599 -35.3554 -34.4963 -34.4956 -34.4933 -34.4898 -4.6921 -4.6914 -4.6865 -4.6839 -4.2430 -4.2412 -4.2297 -4.2264 -4.2203 -4.2184 3.4728 3.4891 6.6232 6.6366 7.1362 7.1423 7.4971 7.5296 8.2201 8.2763 8.4668 8.4868 8.7699 8.8765 10.6956 10.7442 11.4568 11.4844 14.8688 14.8690 16.7313 16.7393 k = 0.4258 0.2458 0.4465 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7177 -35.7177 -35.3601 -35.3554 -34.4964 -34.4956 -34.4933 -34.4897 -4.6922 -4.6915 -4.6864 -4.6837 -4.2431 -4.2411 -4.2298 -4.2262 -4.2204 -4.2182 3.5007 3.5178 6.6145 6.6299 7.1469 7.1518 7.5189 7.5551 8.2066 8.2640 8.4545 8.4678 8.7864 8.8919 10.5841 10.6332 11.3739 11.4023 14.8742 14.8743 16.8766 16.8848 k = 0.4219 0.2436 0.4593 ( 6531 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3926 -35.7177 -35.7176 -35.3602 -35.3554 -34.4965 -34.4957 -34.4933 -34.4896 -4.6922 -4.6915 -4.6864 -4.6835 -4.2431 -4.2410 -4.2298 -4.2259 -4.2204 -4.2180 3.5290 3.5468 6.6024 6.6197 7.1618 7.1652 7.5415 7.5818 8.1922 8.2505 8.4420 8.4480 8.8046 8.9088 10.4767 10.5262 11.2919 11.3211 14.8793 14.8797 17.0233 17.0316 k = 0.4180 0.2413 0.4720 ( 6529 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7176 -35.3603 -35.3554 -34.4965 -34.4957 -34.4933 -34.4895 -4.6923 -4.6915 -4.6863 -4.6834 -4.2432 -4.2409 -4.2299 -4.2257 -4.2205 -4.2178 3.5574 3.5760 6.5871 6.6061 7.1807 7.1829 7.5646 7.6095 8.1768 8.2356 8.4279 8.4297 8.8240 8.9267 10.3741 10.4237 11.2111 11.2411 14.8841 14.8848 17.1707 17.1794 k = 0.4141 0.2391 0.4848 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7176 -35.7175 -35.3605 -35.3555 -34.4966 -34.4957 -34.4933 -34.4895 -4.6923 -4.6915 -4.6863 -4.6832 -4.2432 -4.2409 -4.2299 -4.2255 -4.2206 -4.2176 3.5858 3.6050 6.5688 6.5893 7.2037 7.2047 7.5881 7.6380 8.1608 8.2193 8.4082 8.4178 8.8441 8.9452 10.2766 10.3260 11.1316 11.1622 14.8888 14.8897 17.3183 17.3273 k = 0.4102 0.2368 0.4976 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7175 -35.3606 -35.3555 -34.4966 -34.4958 -34.4933 -34.4894 -4.6923 -4.6914 -4.6863 -4.6831 -4.2432 -4.2408 -4.2300 -4.2253 -4.2207 -4.2175 3.6139 3.6337 6.5478 6.5696 7.2305 7.2306 7.6115 7.6670 8.1441 8.2016 8.3893 8.4066 8.8641 8.9639 10.1848 10.2338 11.0535 11.0849 14.8933 14.8943 17.4647 17.4745 k = 0.4062 0.2345 0.5103 ( 6548 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7175 -35.7174 -35.3607 -35.3555 -34.4967 -34.4958 -34.4933 -34.4894 -4.6923 -4.6914 -4.6863 -4.6830 -4.2432 -4.2407 -4.2300 -4.2250 -4.2207 -4.2173 3.6414 3.6618 6.5247 6.5474 7.2603 7.2610 7.6345 7.6964 8.1272 8.1825 8.3717 8.3964 8.8836 8.9820 10.0992 10.1476 10.9771 11.0092 14.8976 14.8987 17.5997 17.6158 k = 0.4023 0.2323 0.5231 ( 6543 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3926 -35.7174 -35.7174 -35.3608 -35.3556 -34.4967 -34.4958 -34.4933 -34.4893 -4.6923 -4.6914 -4.6863 -4.6829 -4.2433 -4.2406 -4.2301 -4.2248 -4.2208 -4.2171 3.6680 3.6889 6.4999 6.5232 7.2935 7.2948 7.6568 7.7260 8.1105 8.1621 8.3558 8.3875 8.9017 8.9987 10.0206 10.0682 10.9025 10.9353 14.9017 14.9029 17.5777 17.5836 k = 0.3984 0.2300 0.5358 ( 6543 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7174 -35.3609 -35.3556 -34.4967 -34.4958 -34.4933 -34.4893 -4.6923 -4.6913 -4.6863 -4.6829 -4.2433 -4.2406 -4.2301 -4.2246 -4.2209 -4.2170 3.6934 3.7147 6.4738 6.4975 7.3301 7.3316 7.6780 7.7552 8.0942 8.1408 8.3420 8.3802 8.9175 9.0131 9.9498 9.9966 10.8300 10.8634 14.9056 14.9069 17.5069 17.5086 k = 0.3945 0.2278 0.5486 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3926 -35.7174 -35.7173 -35.3609 -35.3557 -34.4967 -34.4959 -34.4933 -34.4893 -4.6922 -4.6913 -4.6863 -4.6828 -4.2433 -4.2405 -4.2302 -4.2243 -4.2210 -4.2169 3.7173 3.7390 6.4470 6.4708 7.3695 7.3710 7.6974 7.7839 8.0790 8.1190 8.3306 8.3747 8.9298 9.0240 9.8879 9.9339 10.7596 10.7936 14.9094 14.9106 17.4244 17.4250 k = 0.3906 0.2255 0.5613 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3610 -35.3557 -34.4967 -34.4959 -34.4933 -34.4892 -4.6922 -4.6912 -4.6863 -4.6828 -4.2433 -4.2405 -4.2302 -4.2241 -4.2211 -4.2167 3.7394 3.7613 6.4200 6.4436 7.4113 7.4126 7.7148 7.8116 8.0653 8.0974 8.3218 8.3713 8.9375 9.0298 9.8360 9.8814 10.6917 10.7262 14.9129 14.9141 17.3359 17.3378 k = 0.3867 0.2233 0.5741 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7173 -35.3610 -35.3558 -34.4967 -34.4959 -34.4933 -34.4892 -4.6922 -4.6911 -4.6863 -4.6828 -4.2433 -4.2404 -4.2302 -4.2239 -4.2212 -4.2166 3.7592 3.7813 6.3932 6.4165 7.4549 7.4557 7.7299 7.8377 8.0538 8.0766 8.3159 8.3702 8.9394 9.0293 9.7953 9.8404 10.6263 10.6614 14.9162 14.9174 17.2456 17.2483 k = 0.3828 0.2210 0.5869 ( 6546 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3610 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6911 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2238 -4.2212 -4.2166 3.7765 3.7986 6.3672 6.3899 7.4993 7.4995 7.7428 7.8617 8.0451 8.0579 8.3130 8.3716 8.9346 9.0214 9.7665 9.8120 10.5639 10.5995 14.9195 14.9205 17.1550 17.1582 k = 0.3789 0.2188 0.5996 ( 6544 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7173 -35.7172 -35.3610 -35.3559 -34.4967 -34.4959 -34.4933 -34.4893 -4.6921 -4.6910 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2237 -4.2212 -4.2165 3.7909 3.8130 6.3423 6.3643 7.5427 7.5430 7.7541 7.8828 8.0396 8.0429 8.3134 8.3757 8.9226 9.0057 9.7500 9.7966 10.5046 10.5405 14.9225 14.9234 17.0650 17.0684 k = 0.3750 0.2165 0.6124 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.6250-0.0722 0.4082 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3560 -34.4967 -34.4959 -34.4933 -34.4893 -4.6920 -4.6909 -4.6864 -4.6828 -4.2433 -4.2404 -4.2302 -4.2236 -4.2212 -4.2164 3.8020 3.8239 6.3192 6.3402 7.5834 7.5835 7.7655 7.9001 8.0340 8.0380 8.3172 8.3824 8.9039 8.9824 9.7456 9.7938 10.4487 10.4850 14.9255 14.9262 16.9760 16.9797 k = 0.6184-0.0836 0.4082 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3561 -34.4966 -34.4959 -34.4933 -34.4894 -4.6919 -4.6908 -4.6865 -4.6829 -4.2433 -4.2404 -4.2302 -4.2235 -4.2211 -4.2164 3.8170 3.8385 6.2823 6.3017 7.6453 7.6495 7.7880 7.9261 8.0265 8.0409 8.3266 8.3959 8.8682 8.9384 9.7472 9.7981 10.3586 10.3954 14.9299 14.9303 16.8293 16.8331 k = 0.6118-0.0950 0.4082 ( 6537 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7172 -35.3610 -35.3562 -34.4966 -34.4959 -34.4932 -34.4894 -4.6918 -4.6907 -4.6866 -4.6830 -4.2433 -4.2404 -4.2301 -4.2235 -4.2210 -4.2163 3.8304 3.8513 6.2465 6.2644 7.7018 7.7157 7.8160 7.9535 8.0209 8.0484 8.3363 8.4091 8.8351 8.8968 9.7471 9.8001 10.2704 10.3077 14.9334 14.9335 16.6871 16.6911 k = 0.6053-0.1064 0.4082 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7172 -35.7171 -35.3609 -35.3563 -34.4965 -34.4959 -34.4932 -34.4895 -4.6917 -4.6905 -4.6867 -4.6831 -4.2433 -4.2405 -4.2301 -4.2236 -4.2208 -4.2163 3.8422 3.8624 6.2119 6.2283 7.7468 7.7807 7.8541 7.9822 8.0183 8.0613 8.3458 8.4220 8.8052 8.8579 9.7447 9.7994 10.1843 10.2222 14.9355 14.9357 16.5503 16.5543 k = 0.5987-0.1177 0.4082 ( 6545 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3927 -35.7171 -35.7171 -35.3608 -35.3564 -34.4964 -34.4959 -34.4932 -34.4896 -4.6915 -4.6904 -4.6868 -4.6833 -4.2433 -4.2405 -4.2300 -4.2237 -4.2206 -4.2162 3.8526 3.8720 6.1789 6.1939 7.7784 7.8424 7.9017 8.0072 8.0248 8.0812 8.3551 8.4345 8.7792 8.8221 9.7398 9.7958 10.1004 10.1388 14.9362 14.9368 16.4197 16.4236 k = 0.5921-0.1291 0.4082 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3928 -35.7171 -35.7171 -35.3607 -35.3565 -34.4964 -34.4959 -34.4932 -34.4897 -4.6913 -4.6903 -4.6869 -4.6835 -4.2433 -4.2406 -4.2299 -4.2238 -4.2204 -4.2162 3.8617 3.8803 6.1474 6.1610 7.8010 7.8967 7.9513 8.0165 8.0553 8.1103 8.3638 8.4464 8.7581 8.7899 9.7319 9.7888 10.0189 10.0577 14.9354 14.9364 16.2960 16.2998 k = 0.5855-0.1405 0.4082 ( 6533 PWs) bands (ev): -67.7733 -67.7733 -38.3933 -38.3928 -35.7171 -35.7171 -35.3606 -35.3566 -34.4963 -34.4959 -34.4932 -34.4899 -4.6912 -4.6901 -4.6870 -4.6836 -4.2432 -4.2406 -4.2298 -4.2240 -4.2201 -4.2162 3.8696 3.8872 6.1177 6.1300 7.8190 7.9381 7.9953 8.0282 8.0958 8.1506 8.3717 8.4579 8.7431 8.7621 9.7209 9.7782 9.9400 9.9790 14.9329 14.9344 16.1800 16.1835 k = 0.5789-0.1519 0.4082 ( 6545 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3605 -35.3568 -34.4962 -34.4959 -34.4932 -34.4900 -4.6910 -4.6900 -4.6871 -4.6839 -4.2432 -4.2407 -4.2297 -4.2242 -4.2198 -4.2162 3.8765 3.8930 6.0898 6.1009 7.8345 7.9626 8.0310 8.0485 8.1421 8.2002 8.3789 8.4691 8.7355 8.7398 9.7064 9.7634 9.8643 9.9028 14.9286 14.9305 16.0723 16.0754 k = 0.5724-0.1633 0.4082 ( 6541 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3604 -35.3569 -34.4961 -34.4959 -34.4931 -34.4901 -4.6907 -4.6899 -4.6871 -4.6841 -4.2431 -4.2408 -4.2296 -4.2245 -4.2196 -4.2162 3.8824 3.8978 6.0638 6.0737 7.8487 7.9751 8.0605 8.0735 8.1911 8.2536 8.3853 8.4808 8.7246 8.7370 9.6882 9.7424 9.7937 9.8295 14.9224 14.9246 15.9736 15.9763 k = 0.5658-0.1747 0.4082 ( 6543 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3603 -35.3570 -34.4961 -34.4959 -34.4931 -34.4903 -4.6905 -4.6897 -4.6872 -4.6843 -4.2430 -4.2409 -4.2295 -4.2247 -4.2193 -4.2162 3.8874 3.9017 6.0399 6.0487 7.8622 7.9823 8.0859 8.0980 8.2388 8.3032 8.3916 8.4948 8.7185 8.7490 9.6661 9.7039 9.7397 9.7593 14.9140 14.9167 15.8843 15.8866 k = 0.5592-0.1861 0.4082 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3928 -35.7171 -35.7171 -35.3601 -35.3572 -34.4960 -34.4959 -34.4930 -34.4904 -4.6903 -4.6896 -4.6873 -4.6846 -4.2430 -4.2410 -4.2293 -4.2250 -4.2190 -4.2162 3.8918 3.9048 6.0181 6.0259 7.8752 7.9874 8.1088 8.1196 8.2809 8.3414 8.3994 8.5135 8.7241 8.7722 9.6394 9.6436 9.6929 9.7069 14.9037 14.9066 15.8050 15.8067 k = 0.5526-0.1975 0.4082 ( 6539 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3929 -35.7171 -35.7170 -35.3600 -35.3573 -34.4960 -34.4959 -34.4929 -34.4906 -4.6900 -4.6895 -4.6874 -4.6848 -4.2429 -4.2411 -4.2292 -4.2252 -4.2188 -4.2162 3.8954 3.9071 5.9985 6.0053 7.8879 7.9916 8.1294 8.1375 8.3137 8.3637 8.4118 8.5372 8.7439 8.8064 9.5817 9.6064 9.6322 9.6756 14.8915 14.8947 15.7357 15.7370 k = 0.5461-0.2089 0.4082 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3932 -38.3929 -35.7170 -35.7170 -35.3598 -35.3575 -34.4959 -34.4958 -34.4928 -34.4907 -4.6898 -4.6894 -4.6875 -4.6851 -4.2428 -4.2412 -4.2290 -4.2255 -4.2185 -4.2163 3.8986 3.9089 5.9812 5.9869 7.9006 7.9950 8.1477 8.1516 8.3345 8.3723 8.4317 8.5618 8.7792 8.8502 9.5231 9.5606 9.5843 9.6413 14.8780 14.8813 15.6766 15.6774 k = 0.5395-0.2203 0.4082 ( 6527 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3597 -35.3576 -34.4959 -34.4958 -34.4927 -34.4909 -4.6895 -4.6893 -4.6876 -4.6854 -4.2427 -4.2413 -4.2288 -4.2258 -4.2183 -4.2164 3.9012 3.9101 5.9661 5.9709 7.9131 7.9976 8.1621 8.1635 8.3454 8.3724 8.4579 8.5828 8.8278 8.9016 9.4692 9.5081 9.5437 9.6033 14.8637 14.8669 15.6272 15.6276 k = 0.5329-0.2317 0.4082 ( 6513 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3595 -35.3578 -34.4958 -34.4958 -34.4926 -34.4911 -4.6893 -4.6892 -4.6876 -4.6857 -4.2426 -4.2414 -4.2286 -4.2261 -4.2180 -4.2164 3.9034 3.9109 5.9533 5.9573 7.9255 7.9990 8.1697 8.1761 8.3507 8.3686 8.4869 8.5992 8.8855 8.9582 9.4213 9.4586 9.5014 9.5617 14.8494 14.8524 15.5870 15.5872 k = 0.5263-0.2431 0.4082 ( 6519 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3929 -35.7170 -35.7170 -35.3594 -35.3580 -34.4958 -34.4958 -34.4925 -34.4913 -4.6891 -4.6890 -4.6877 -4.6860 -4.2425 -4.2415 -4.2284 -4.2263 -4.2178 -4.2165 3.9053 3.9114 5.9429 5.9460 7.9377 7.9990 8.1753 8.1854 8.3533 8.3638 8.5161 8.6109 8.9479 9.0173 9.3805 9.4145 9.4564 9.5167 14.8361 14.8387 15.5555 15.5555 k = 0.5197-0.2545 0.4082 ( 6519 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3930 -35.7170 -35.7170 -35.3592 -35.3581 -34.4958 -34.4958 -34.4924 -34.4914 -4.6890 -4.6889 -4.6876 -4.6863 -4.2423 -4.2416 -4.2282 -4.2266 -4.2176 -4.2166 3.9069 3.9115 5.9348 5.9372 7.9495 7.9972 8.1797 8.1910 8.3545 8.3596 8.5439 8.6180 9.0116 9.0764 9.3480 9.3773 9.4094 9.4690 14.8246 14.8268 15.5318 15.5319 k = 0.5132-0.2659 0.4082 ( 6519 PWs) bands (ev): -67.7733 -67.7733 -38.3931 -38.3930 -35.7170 -35.7170 -35.3590 -35.3583 -34.4958 -34.4958 -34.4922 -34.4916 -4.6889 -4.6887 -4.6875 -4.6866 -4.2422 -4.2417 -4.2279 -4.2269 -4.2174 -4.2168 3.9082 3.9113 5.9291 5.9307 7.9607 7.9934 8.1837 8.1933 8.3548 8.3567 8.5689 8.6199 9.0739 9.1313 9.3249 9.3483 9.3632 9.4198 14.8159 14.8174 15.5155 15.5156 k = 0.5066-0.2773 0.4082 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3588 -35.3585 -34.4958 -34.4958 -34.4921 -34.4918 -4.6888 -4.6887 -4.6874 -4.6869 -4.2421 -4.2419 -4.2277 -4.2272 -4.2172 -4.2169 3.9093 3.9109 5.9259 5.9267 7.9710 7.9876 8.1874 8.1929 8.3548 8.3553 8.5900 8.6160 9.1306 9.1712 9.3119 9.3228 9.3336 9.3726 14.8106 14.8114 15.5059 15.5060 k = 0.5000-0.2887 0.4082 ( 6526 PWs) bands (ev): -67.7733 -67.7733 -38.3930 -38.3930 -35.7170 -35.7170 -35.3587 -35.3587 -34.4958 -34.4958 -34.4919 -34.4919 -4.6887 -4.6887 -4.6871 -4.6871 -4.2420 -4.2420 -4.2274 -4.2274 -4.2170 -4.2170 3.9102 3.9102 5.9251 5.9251 7.9800 7.9800 8.1907 8.1907 8.3548 8.3548 8.6059 8.6059 9.1712 9.1712 9.3090 9.3090 9.3380 9.3380 14.8090 14.8090 15.5028 15.5028 Writing output data file Li2GaRh.save init_run : 0.97s CPU 0.57s WALL ( 1 calls) electrons : 303.54s CPU 189.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 303.53s CPU 189.65s 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 0.00s WALL ( 1 calls) newd : 0.18s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.42s CPU 0.56s WALL ( 350 calls) cegterg : 253.86s CPU 160.69s WALL ( 366 calls) Called by sum_band: Called by *egterg: h_psi : 217.83s CPU 125.16s WALL ( 6119 calls) s_psi : 7.21s CPU 4.56s WALL ( 6119 calls) g_psi : 0.38s CPU 0.27s WALL ( 5403 calls) cdiaghg : 45.61s CPU 35.56s WALL ( 5753 calls) cegterg:over : 9.16s CPU 6.30s WALL ( 5403 calls) cegterg:upda : 7.97s CPU 5.71s WALL ( 5403 calls) cegterg:last : 3.89s CPU 3.12s WALL ( 1066 calls) cdiaghg:chol : 2.35s CPU 2.06s WALL ( 5753 calls) cdiaghg:inve : 1.26s CPU 0.99s WALL ( 5753 calls) cdiaghg:para : 2.76s CPU 2.09s WALL ( 11506 calls) Called by h_psi: h_psi:vloc : 202.92s CPU 115.76s WALL ( 6119 calls) h_psi:vnl : 14.50s CPU 9.14s WALL ( 6119 calls) add_vuspsi : 7.78s CPU 4.87s WALL ( 6119 calls) General routines calbec : 6.68s CPU 4.25s WALL ( 6119 calls) fft : 0.11s CPU 0.06s WALL ( 15 calls) fftw : 194.21s CPU 110.13s WALL ( 584160 calls) davcio : 0.38s CPU 1.32s WALL ( 700 calls) Parallel routines fft_scatter : 68.54s CPU 42.79s WALL ( 584175 calls) PWSCF : 5m24.43s CPU 3m45.02s WALL This run was terminated on: 4: 5:14 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=