Program PWSCF v.5.1.1 starts on 13Jun2016 at 9:30:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CaSi3Pt.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 31 9 1843 501 81 Max 75 32 10 1844 521 83 Sum 3565 1515 445 88481 24495 3917 bravais-lattice index = 14 lattice parameter (alat) = 10.7881 a.u. unit-cell volume = 580.3824 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.788085 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.729369 celldm(5)= -0.729369 celldm(6)= 0.458738 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.458738 0.888572 0.000000 ) a(3) = ( -0.729369 -0.444286 0.520222 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.516265 0.961128 ) b(2) = ( 0.000000 1.125402 0.961128 ) b(3) = ( 0.000000 0.000000 1.922256 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ca 10.00 40.07800 Ca( 1.00) Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) 2 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 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) = ( 0.0000000 0.0000000 0.0181345), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0362690), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0544035), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0725380), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0906724), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.1088069), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.1269414), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.1450759), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.1632104), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.1813449), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1994794), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.2176139), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.2357484), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.2538829), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.2720173), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.2901519), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.3082863), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.3264208), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.3445553), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.3626898), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.3808243), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.3989588), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.4170933), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.4352278), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.4533623), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.4714968), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.4896312), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.5077657), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.5259002), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.5440347), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.5621692), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.5803037), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.5984382), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.6165727), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.6347072), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.6528417), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.6709761), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.6891106), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.7072451), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.7253796), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.7435141), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.7616486), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.7797831), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.7979176), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.8160521), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.8341865), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.8523211), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.8704555), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.8885900), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.9067245), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.9248590), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.9429935), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.9611280), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.9611280), wk = 0.0028571 k( 56) = ( -0.0092762 0.0152284 0.9611280), wk = 0.0028571 k( 57) = ( -0.0185524 0.0304569 0.9611280), wk = 0.0028571 k( 58) = ( -0.0278286 0.0456853 0.9611280), wk = 0.0028571 k( 59) = ( -0.0371048 0.0609137 0.9611280), wk = 0.0028571 k( 60) = ( -0.0463810 0.0761422 0.9611280), wk = 0.0028571 k( 61) = ( -0.0556572 0.0913706 0.9611280), wk = 0.0028571 k( 62) = ( -0.0649334 0.1065990 0.9611280), wk = 0.0028571 k( 63) = ( -0.0742096 0.1218274 0.9611280), wk = 0.0028571 k( 64) = ( -0.0834858 0.1370559 0.9611280), wk = 0.0028571 k( 65) = ( -0.0927620 0.1522843 0.9611280), wk = 0.0028571 k( 66) = ( -0.0927620 0.1522843 0.9611280), wk = 0.0028571 k( 67) = ( -0.0993304 0.1630673 0.9485019), wk = 0.0028571 k( 68) = ( -0.1058987 0.1738504 0.9358759), wk = 0.0028571 k( 69) = ( -0.1124671 0.1846334 0.9232498), wk = 0.0028571 k( 70) = ( -0.1190355 0.1954165 0.9106238), wk = 0.0028571 k( 71) = ( -0.1256038 0.2061995 0.8979977), wk = 0.0028571 k( 72) = ( -0.1321722 0.2169826 0.8853716), wk = 0.0028571 k( 73) = ( -0.1387405 0.2277656 0.8727456), wk = 0.0028571 k( 74) = ( -0.1453089 0.2385487 0.8601195), wk = 0.0028571 k( 75) = ( -0.1518772 0.2493317 0.8474935), wk = 0.0028571 k( 76) = ( -0.1584456 0.2601148 0.8348674), wk = 0.0028571 k( 77) = ( -0.1650139 0.2708978 0.8222413), wk = 0.0028571 k( 78) = ( -0.1715823 0.2816809 0.8096153), wk = 0.0028571 k( 79) = ( -0.1781506 0.2924639 0.7969892), wk = 0.0028571 k( 80) = ( -0.1847190 0.3032469 0.7843632), wk = 0.0028571 k( 81) = ( -0.1912873 0.3140300 0.7717371), wk = 0.0028571 k( 82) = ( -0.1978557 0.3248130 0.7591111), wk = 0.0028571 k( 83) = ( -0.2044241 0.3355961 0.7464850), wk = 0.0028571 k( 84) = ( -0.2109924 0.3463791 0.7338589), wk = 0.0028571 k( 85) = ( -0.2175608 0.3571622 0.7212329), wk = 0.0028571 k( 86) = ( -0.2241291 0.3679452 0.7086068), wk = 0.0028571 k( 87) = ( -0.2306975 0.3787283 0.6959808), wk = 0.0028571 k( 88) = ( -0.2372658 0.3895113 0.6833547), wk = 0.0028571 k( 89) = ( -0.2438342 0.4002943 0.6707286), wk = 0.0028571 k( 90) = ( -0.2504025 0.4110774 0.6581026), wk = 0.0028571 k( 91) = ( -0.2569709 0.4218604 0.6454765), wk = 0.0028571 k( 92) = ( -0.2635393 0.4326435 0.6328505), wk = 0.0028571 k( 93) = ( -0.2701076 0.4434265 0.6202244), wk = 0.0028571 k( 94) = ( -0.2766760 0.4542096 0.6075984), wk = 0.0028571 k( 95) = ( -0.2832443 0.4649926 0.5949723), wk = 0.0028571 k( 96) = ( -0.2898127 0.4757757 0.5823462), wk = 0.0028571 k( 97) = ( -0.2963810 0.4865587 0.5697202), wk = 0.0028571 k( 98) = ( -0.2963810 0.4865587 0.5697202), wk = 0.0028571 k( 99) = ( -0.2897948 0.4757463 0.5570597), wk = 0.0028571 k( 100) = ( -0.2832085 0.4649339 0.5443993), wk = 0.0028571 k( 101) = ( -0.2766223 0.4541215 0.5317388), wk = 0.0028571 k( 102) = ( -0.2700360 0.4433091 0.5190784), wk = 0.0028571 k( 103) = ( -0.2634498 0.4324966 0.5064179), wk = 0.0028571 k( 104) = ( -0.2568635 0.4216842 0.4937575), wk = 0.0028571 k( 105) = ( -0.2502773 0.4108718 0.4810970), wk = 0.0028571 k( 106) = ( -0.2436911 0.4000594 0.4684366), wk = 0.0028571 k( 107) = ( -0.2371048 0.3892470 0.4557761), wk = 0.0028571 k( 108) = ( -0.2305186 0.3784346 0.4431157), wk = 0.0028571 k( 109) = ( -0.2239323 0.3676221 0.4304552), wk = 0.0028571 k( 110) = ( -0.2173461 0.3568097 0.4177948), wk = 0.0028571 k( 111) = ( -0.2107598 0.3459973 0.4051344), wk = 0.0028571 k( 112) = ( -0.2041736 0.3351849 0.3924739), wk = 0.0028571 k( 113) = ( -0.1975873 0.3243725 0.3798135), wk = 0.0028571 k( 114) = ( -0.1910011 0.3135601 0.3671530), wk = 0.0028571 k( 115) = ( -0.1844149 0.3027477 0.3544926), wk = 0.0028571 k( 116) = ( -0.1778286 0.2919352 0.3418321), wk = 0.0028571 k( 117) = ( -0.1712424 0.2811228 0.3291717), wk = 0.0028571 k( 118) = ( -0.1646561 0.2703104 0.3165112), wk = 0.0028571 k( 119) = ( -0.1580699 0.2594980 0.3038508), wk = 0.0028571 k( 120) = ( -0.1514836 0.2486856 0.2911903), wk = 0.0028571 k( 121) = ( -0.1448974 0.2378732 0.2785299), wk = 0.0028571 k( 122) = ( -0.1383111 0.2270607 0.2658694), wk = 0.0028571 k( 123) = ( -0.1317249 0.2162483 0.2532090), wk = 0.0028571 k( 124) = ( -0.1251386 0.2054359 0.2405485), wk = 0.0028571 k( 125) = ( -0.1185524 0.1946235 0.2278881), wk = 0.0028571 k( 126) = ( -0.1119662 0.1838111 0.2152276), wk = 0.0028571 k( 127) = ( -0.1053799 0.1729987 0.2025672), wk = 0.0028571 k( 128) = ( -0.0987937 0.1621862 0.1899067), wk = 0.0028571 k( 129) = ( -0.0922074 0.1513738 0.1772463), wk = 0.0028571 k( 130) = ( -0.0856212 0.1405614 0.1645858), wk = 0.0028571 k( 131) = ( -0.0790349 0.1297490 0.1519254), wk = 0.0028571 k( 132) = ( -0.0724487 0.1189366 0.1392649), wk = 0.0028571 k( 133) = ( -0.0658625 0.1081242 0.1266045), wk = 0.0028571 k( 134) = ( -0.0592762 0.0973117 0.1139440), wk = 0.0028571 k( 135) = ( -0.0526900 0.0864993 0.1012836), wk = 0.0028571 k( 136) = ( -0.0461037 0.0756869 0.0886231), wk = 0.0028571 k( 137) = ( -0.0395175 0.0648745 0.0759627), wk = 0.0028571 k( 138) = ( -0.0329312 0.0540621 0.0633022), wk = 0.0028571 k( 139) = ( -0.0263450 0.0432497 0.0506418), wk = 0.0028571 k( 140) = ( -0.0197587 0.0324372 0.0379813), wk = 0.0028571 k( 141) = ( -0.0131725 0.0216248 0.0253209), wk = 0.0028571 k( 142) = ( -0.0065862 0.0108124 0.0126604), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0092294 -0.0000000), wk = 0.0028571 k( 146) = ( 0.0303030 0.0184587 -0.0000000), wk = 0.0028571 k( 147) = ( 0.0454546 0.0276881 -0.0000000), wk = 0.0028571 k( 148) = ( 0.0606061 0.0369174 -0.0000000), wk = 0.0028571 k( 149) = ( 0.0757576 0.0461468 -0.0000000), wk = 0.0028571 k( 150) = ( 0.0909091 0.0553761 -0.0000000), wk = 0.0028571 k( 151) = ( 0.1060606 0.0646055 -0.0000000), wk = 0.0028571 k( 152) = ( 0.1212121 0.0738348 -0.0000000), wk = 0.0028571 k( 153) = ( 0.1363636 0.0830642 0.0000000), wk = 0.0028571 k( 154) = ( 0.1515151 0.0922935 -0.0000000), wk = 0.0028571 k( 155) = ( 0.1666667 0.1015229 -0.0000000), wk = 0.0028571 k( 156) = ( 0.1818182 0.1107522 -0.0000000), wk = 0.0028571 k( 157) = ( 0.1969697 0.1199816 -0.0000000), wk = 0.0028571 k( 158) = ( 0.2121212 0.1292109 -0.0000000), wk = 0.0028571 k( 159) = ( 0.2272727 0.1384403 -0.0000000), wk = 0.0028571 k( 160) = ( 0.2424242 0.1476696 -0.0000000), wk = 0.0028571 k( 161) = ( 0.2575758 0.1568990 -0.0000000), wk = 0.0028571 k( 162) = ( 0.2727273 0.1661283 -0.0000000), wk = 0.0028571 k( 163) = ( 0.2878788 0.1753577 0.0000000), wk = 0.0028571 k( 164) = ( 0.3030303 0.1845870 -0.0000000), wk = 0.0028571 k( 165) = ( 0.3181818 0.1938164 -0.0000000), wk = 0.0028571 k( 166) = ( 0.3333333 0.2030457 -0.0000000), wk = 0.0028571 k( 167) = ( 0.3484849 0.2122751 -0.0000000), wk = 0.0028571 k( 168) = ( 0.3636364 0.2215044 -0.0000000), wk = 0.0028571 k( 169) = ( 0.3787879 0.2307338 -0.0000000), wk = 0.0028571 k( 170) = ( 0.3939394 0.2399631 -0.0000000), wk = 0.0028571 k( 171) = ( 0.4090909 0.2491925 -0.0000000), wk = 0.0028571 k( 172) = ( 0.4242424 0.2584218 -0.0000000), wk = 0.0028571 k( 173) = ( 0.4393939 0.2676512 -0.0000000), wk = 0.0028571 k( 174) = ( 0.4545455 0.2768805 -0.0000000), wk = 0.0028571 k( 175) = ( 0.4696970 0.2861099 -0.0000000), wk = 0.0028571 k( 176) = ( 0.4848485 0.2953393 -0.0000000), wk = 0.0028571 k( 177) = ( 0.5000000 0.3045686 -0.0000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.3045686 -0.0000000), wk = 0.0028571 k( 179) = ( 0.4934316 0.3153516 0.0126261), wk = 0.0028571 k( 180) = ( 0.4868633 0.3261347 0.0252521), wk = 0.0028571 k( 181) = ( 0.4802949 0.3369177 0.0378782), wk = 0.0028571 k( 182) = ( 0.4737266 0.3477008 0.0505042), wk = 0.0028571 k( 183) = ( 0.4671582 0.3584838 0.0631303), wk = 0.0028571 k( 184) = ( 0.4605899 0.3692669 0.0757564), wk = 0.0028571 k( 185) = ( 0.4540215 0.3800499 0.0883824), wk = 0.0028571 k( 186) = ( 0.4474532 0.3908330 0.1010085), wk = 0.0028571 k( 187) = ( 0.4408848 0.4016160 0.1136345), wk = 0.0028571 k( 188) = ( 0.4343165 0.4123991 0.1262606), wk = 0.0028571 k( 189) = ( 0.4277481 0.4231821 0.1388866), wk = 0.0028571 k( 190) = ( 0.4211798 0.4339652 0.1515127), wk = 0.0028571 k( 191) = ( 0.4146114 0.4447482 0.1641388), wk = 0.0028571 k( 192) = ( 0.4080430 0.4555312 0.1767648), wk = 0.0028571 k( 193) = ( 0.4014747 0.4663143 0.1893909), wk = 0.0028571 k( 194) = ( 0.3949063 0.4770973 0.2020169), wk = 0.0028571 k( 195) = ( 0.3883380 0.4878804 0.2146430), wk = 0.0028571 k( 196) = ( 0.3817696 0.4986634 0.2272691), wk = 0.0028571 k( 197) = ( 0.3752013 0.5094465 0.2398951), wk = 0.0028571 k( 198) = ( 0.3686329 0.5202295 0.2525212), wk = 0.0028571 k( 199) = ( 0.3620646 0.5310126 0.2651472), wk = 0.0028571 k( 200) = ( 0.3554962 0.5417956 0.2777733), wk = 0.0028571 k( 201) = ( 0.3489278 0.5525787 0.2903993), wk = 0.0028571 k( 202) = ( 0.3423595 0.5633617 0.3030254), wk = 0.0028571 k( 203) = ( 0.3357911 0.5741447 0.3156515), wk = 0.0028571 k( 204) = ( 0.3292228 0.5849278 0.3282775), wk = 0.0028571 k( 205) = ( 0.3226544 0.5957108 0.3409036), wk = 0.0028571 k( 206) = ( 0.3160861 0.6064939 0.3535296), wk = 0.0028571 k( 207) = ( 0.3095177 0.6172769 0.3661557), wk = 0.0028571 k( 208) = ( 0.3029494 0.6280600 0.3787818), wk = 0.0028571 k( 209) = ( 0.2963810 0.6388430 0.3914078), wk = 0.0028571 k( 210) = ( 0.2963810 0.6388430 0.3914078), wk = 0.0028571 k( 211) = ( 0.2799154 0.6346129 0.3963609), wk = 0.0028571 k( 212) = ( 0.2634498 0.6303828 0.4013141), wk = 0.0028571 k( 213) = ( 0.2469842 0.6261527 0.4062672), wk = 0.0028571 k( 214) = ( 0.2305186 0.6219225 0.4112203), wk = 0.0028571 k( 215) = ( 0.2140530 0.6176924 0.4161734), wk = 0.0028571 k( 216) = ( 0.1975873 0.6134623 0.4211265), wk = 0.0028571 k( 217) = ( 0.1811217 0.6092322 0.4260797), wk = 0.0028571 k( 218) = ( 0.1646561 0.6050021 0.4310328), wk = 0.0028571 k( 219) = ( 0.1481905 0.6007719 0.4359859), wk = 0.0028571 k( 220) = ( 0.1317249 0.5965418 0.4409390), wk = 0.0028571 k( 221) = ( 0.1152593 0.5923117 0.4458921), wk = 0.0028571 k( 222) = ( 0.0987937 0.5880816 0.4508453), wk = 0.0028571 k( 223) = ( 0.0823281 0.5838515 0.4557984), wk = 0.0028571 k( 224) = ( 0.0658625 0.5796213 0.4607515), wk = 0.0028571 k( 225) = ( 0.0493968 0.5753912 0.4657046), wk = 0.0028571 k( 226) = ( 0.0329312 0.5711611 0.4706578), wk = 0.0028571 k( 227) = ( 0.0164656 0.5669310 0.4756109), wk = 0.0028571 k( 228) = ( 0.0000000 0.5627009 0.4805640), wk = 0.0028571 k( 229) = ( 0.0000000 0.5627009 0.4805640), wk = 0.0028571 k( 230) = ( 0.0065790 0.5519004 0.4932104), wk = 0.0028571 k( 231) = ( 0.0131579 0.5411000 0.5058568), wk = 0.0028571 k( 232) = ( 0.0197368 0.5302996 0.5185033), wk = 0.0028571 k( 233) = ( 0.0263158 0.5194991 0.5311497), wk = 0.0028571 k( 234) = ( 0.0328947 0.5086987 0.5437961), wk = 0.0028571 k( 235) = ( 0.0394737 0.4978983 0.5564425), wk = 0.0028571 k( 236) = ( 0.0460526 0.4870978 0.5690889), wk = 0.0028571 k( 237) = ( 0.0526316 0.4762974 0.5817354), wk = 0.0028571 k( 238) = ( 0.0592105 0.4654969 0.5943818), wk = 0.0028571 k( 239) = ( 0.0657895 0.4546965 0.6070282), wk = 0.0028571 k( 240) = ( 0.0723684 0.4438961 0.6196746), wk = 0.0028571 k( 241) = ( 0.0789474 0.4330956 0.6323210), wk = 0.0028571 k( 242) = ( 0.0855263 0.4222952 0.6449675), wk = 0.0028571 k( 243) = ( 0.0921053 0.4114948 0.6576139), wk = 0.0028571 k( 244) = ( 0.0986842 0.4006943 0.6702603), wk = 0.0028571 k( 245) = ( 0.1052632 0.3898939 0.6829067), wk = 0.0028571 k( 246) = ( 0.1118421 0.3790934 0.6955532), wk = 0.0028571 k( 247) = ( 0.1184210 0.3682930 0.7081996), wk = 0.0028571 k( 248) = ( 0.1250000 0.3574926 0.7208460), wk = 0.0028571 k( 249) = ( 0.1315790 0.3466921 0.7334924), wk = 0.0028571 k( 250) = ( 0.1381579 0.3358917 0.7461388), wk = 0.0028571 k( 251) = ( 0.1447368 0.3250913 0.7587853), wk = 0.0028571 k( 252) = ( 0.1513158 0.3142908 0.7714317), wk = 0.0028571 k( 253) = ( 0.1578947 0.3034904 0.7840781), wk = 0.0028571 k( 254) = ( 0.1644737 0.2926900 0.7967245), wk = 0.0028571 k( 255) = ( 0.1710526 0.2818895 0.8093709), wk = 0.0028571 k( 256) = ( 0.1776316 0.2710891 0.8220174), wk = 0.0028571 k( 257) = ( 0.1842105 0.2602887 0.8346638), wk = 0.0028571 k( 258) = ( 0.1907895 0.2494882 0.8473102), wk = 0.0028571 k( 259) = ( 0.1973684 0.2386878 0.8599566), wk = 0.0028571 k( 260) = ( 0.2039474 0.2278874 0.8726030), wk = 0.0028571 k( 261) = ( 0.2105263 0.2170869 0.8852495), wk = 0.0028571 k( 262) = ( 0.2171053 0.2062865 0.8978959), wk = 0.0028571 k( 263) = ( 0.2236842 0.1954860 0.9105423), wk = 0.0028571 k( 264) = ( 0.2302632 0.1846856 0.9231887), wk = 0.0028571 k( 265) = ( 0.2368421 0.1738852 0.9358352), wk = 0.0028571 k( 266) = ( 0.2434210 0.1630847 0.9484816), wk = 0.0028571 k( 267) = ( 0.2500000 0.1522843 0.9611280), wk = 0.0028571 k( 268) = ( 0.2500000 0.1522843 0.9611280), wk = 0.0028571 k( 269) = ( 0.2631579 0.1602993 0.9517431), wk = 0.0028571 k( 270) = ( 0.2763158 0.1683142 0.9423583), wk = 0.0028571 k( 271) = ( 0.2894737 0.1763292 0.9329734), wk = 0.0028571 k( 272) = ( 0.3026316 0.1843442 0.9235885), wk = 0.0028571 k( 273) = ( 0.3157895 0.1923591 0.9142037), wk = 0.0028571 k( 274) = ( 0.3289474 0.2003741 0.9048188), wk = 0.0028571 k( 275) = ( 0.3421053 0.2083890 0.8954340), wk = 0.0028571 k( 276) = ( 0.3552632 0.2164040 0.8860491), wk = 0.0028571 k( 277) = ( 0.3684211 0.2244190 0.8766642), wk = 0.0028571 k( 278) = ( 0.3815789 0.2324339 0.8672794), wk = 0.0028571 k( 279) = ( 0.3947368 0.2404489 0.8578945), wk = 0.0028571 k( 280) = ( 0.4078947 0.2484639 0.8485096), wk = 0.0028571 k( 281) = ( 0.4210526 0.2564788 0.8391248), wk = 0.0028571 k( 282) = ( 0.4342105 0.2644938 0.8297399), wk = 0.0028571 k( 283) = ( 0.4473684 0.2725088 0.8203551), wk = 0.0028571 k( 284) = ( 0.4605263 0.2805237 0.8109702), wk = 0.0028571 k( 285) = ( 0.4736842 0.2885387 0.8015853), wk = 0.0028571 k( 286) = ( 0.4868421 0.2965536 0.7922005), wk = 0.0028571 k( 287) = ( 0.5000000 0.3045686 0.7828156), wk = 0.0028571 k( 288) = ( 0.5000000 0.3045686 0.7828156), wk = 0.0028571 k( 289) = ( 0.5000000 0.3045686 0.7650244), wk = 0.0028571 k( 290) = ( 0.5000000 0.3045686 0.7472331), wk = 0.0028571 k( 291) = ( 0.5000000 0.3045686 0.7294418), wk = 0.0028571 k( 292) = ( 0.5000000 0.3045686 0.7116506), wk = 0.0028571 k( 293) = ( 0.5000000 0.3045686 0.6938593), wk = 0.0028571 k( 294) = ( 0.5000000 0.3045686 0.6760680), wk = 0.0028571 k( 295) = ( 0.5000000 0.3045686 0.6582768), wk = 0.0028571 k( 296) = ( 0.5000000 0.3045686 0.6404855), wk = 0.0028571 k( 297) = ( 0.5000000 0.3045686 0.6226942), wk = 0.0028571 k( 298) = ( 0.5000000 0.3045686 0.6049030), wk = 0.0028571 k( 299) = ( 0.5000000 0.3045686 0.5871117), wk = 0.0028571 k( 300) = ( 0.5000000 0.3045686 0.5693204), wk = 0.0028571 k( 301) = ( 0.5000000 0.3045686 0.5515292), wk = 0.0028571 k( 302) = ( 0.5000000 0.3045686 0.5337379), wk = 0.0028571 k( 303) = ( 0.5000000 0.3045686 0.5159467), wk = 0.0028571 k( 304) = ( 0.5000000 0.3045686 0.4981554), wk = 0.0028571 k( 305) = ( 0.5000000 0.3045686 0.4803641), wk = 0.0028571 k( 306) = ( 0.5000000 0.3045686 0.4625729), wk = 0.0028571 k( 307) = ( 0.5000000 0.3045686 0.4447816), wk = 0.0028571 k( 308) = ( 0.5000000 0.3045686 0.4269903), wk = 0.0028571 k( 309) = ( 0.5000000 0.3045686 0.4091991), wk = 0.0028571 k( 310) = ( 0.5000000 0.3045686 0.3914078), wk = 0.0028571 k( 311) = ( 0.5000000 0.3045686 0.3736165), wk = 0.0028571 k( 312) = ( 0.5000000 0.3045686 0.3558253), wk = 0.0028571 k( 313) = ( 0.5000000 0.3045686 0.3380340), wk = 0.0028571 k( 314) = ( 0.5000000 0.3045686 0.3202428), wk = 0.0028571 k( 315) = ( 0.5000000 0.3045686 0.3024515), wk = 0.0028571 k( 316) = ( 0.5000000 0.3045686 0.2846602), wk = 0.0028571 k( 317) = ( 0.5000000 0.3045686 0.2668690), wk = 0.0028571 k( 318) = ( 0.5000000 0.3045686 0.2490777), wk = 0.0028571 k( 319) = ( 0.5000000 0.3045686 0.2312864), wk = 0.0028571 k( 320) = ( 0.5000000 0.3045686 0.2134952), wk = 0.0028571 k( 321) = ( 0.5000000 0.3045686 0.1957039), wk = 0.0028571 k( 322) = ( 0.5000000 0.3045686 0.1779126), wk = 0.0028571 k( 323) = ( 0.5000000 0.3045686 0.1601214), wk = 0.0028571 k( 324) = ( 0.5000000 0.3045686 0.1423301), wk = 0.0028571 k( 325) = ( 0.5000000 0.3045686 0.1245389), wk = 0.0028571 k( 326) = ( 0.5000000 0.3045686 0.1067476), wk = 0.0028571 k( 327) = ( 0.5000000 0.3045686 0.0889563), wk = 0.0028571 k( 328) = ( 0.5000000 0.3045686 0.0711650), wk = 0.0028571 k( 329) = ( 0.5000000 0.3045686 0.0533738), wk = 0.0028571 k( 330) = ( 0.5000000 0.3045686 0.0355825), wk = 0.0028571 k( 331) = ( 0.5000000 0.3045686 0.0177913), wk = 0.0028571 k( 332) = ( 0.5000000 0.3045686 -0.0000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.9611280), wk = 0.0028571 k( 334) = ( 0.0147059 0.0089579 0.9611280), wk = 0.0028571 k( 335) = ( 0.0294118 0.0179158 0.9611280), wk = 0.0028571 k( 336) = ( 0.0441177 0.0268737 0.9611280), wk = 0.0028571 k( 337) = ( 0.0588235 0.0358316 0.9611280), wk = 0.0028571 k( 338) = ( 0.0735294 0.0447895 0.9611280), wk = 0.0028571 k( 339) = ( 0.0882353 0.0537474 0.9611280), wk = 0.0028571 k( 340) = ( 0.1029412 0.0627053 0.9611280), wk = 0.0028571 k( 341) = ( 0.1176471 0.0716632 0.9611280), wk = 0.0028571 k( 342) = ( 0.1323529 0.0806211 0.9611280), wk = 0.0028571 k( 343) = ( 0.1470588 0.0895790 0.9611280), wk = 0.0028571 k( 344) = ( 0.1617647 0.0985369 0.9611280), wk = 0.0028571 k( 345) = ( 0.1764706 0.1074948 0.9611280), wk = 0.0028571 k( 346) = ( 0.1911765 0.1164527 0.9611280), wk = 0.0028571 k( 347) = ( 0.2058823 0.1254106 0.9611280), wk = 0.0028571 k( 348) = ( 0.2205882 0.1343685 0.9611280), wk = 0.0028571 k( 349) = ( 0.2352941 0.1433264 0.9611280), wk = 0.0028571 k( 350) = ( 0.2500000 0.1522843 0.9611280), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0028571 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0028571 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0028571 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0028571 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0028571 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0028571 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0028571 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0028571 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0028571 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0028571 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0028571 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0028571 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0028571 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0028571 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0028571 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0028571 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0028571 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0028571 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0028571 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0028571 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0028571 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0028571 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0028571 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0028571 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0028571 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0028571 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0028571 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0028571 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0028571 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0028571 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0028571 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0028571 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0028571 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0028571 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0028571 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0028571 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0028571 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0028571 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0028571 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0028571 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0028571 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0028571 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0028571 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0028571 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0028571 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0028571 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0028571 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0028571 k( 50) = ( 0.0000000 0.0000000 0.4622642), wk = 0.0028571 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0028571 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0028571 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0028571 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 56) = ( -0.0092762 0.0092762 0.5000000), wk = 0.0028571 k( 57) = ( -0.0185524 0.0185524 0.5000000), wk = 0.0028571 k( 58) = ( -0.0278286 0.0278286 0.5000000), wk = 0.0028571 k( 59) = ( -0.0371048 0.0371048 0.5000000), wk = 0.0028571 k( 60) = ( -0.0463810 0.0463810 0.5000000), wk = 0.0028571 k( 61) = ( -0.0556572 0.0556572 0.5000000), wk = 0.0028571 k( 62) = ( -0.0649334 0.0649334 0.5000000), wk = 0.0028571 k( 63) = ( -0.0742096 0.0742096 0.5000000), wk = 0.0028571 k( 64) = ( -0.0834858 0.0834858 0.5000000), wk = 0.0028571 k( 65) = ( -0.0927620 0.0927620 0.5000000), wk = 0.0028571 k( 66) = ( -0.0927620 0.0927620 0.5000000), wk = 0.0028571 k( 67) = ( -0.0993304 0.0993304 0.4934317), wk = 0.0028571 k( 68) = ( -0.1058987 0.1058987 0.4868633), wk = 0.0028571 k( 69) = ( -0.1124671 0.1124671 0.4802949), wk = 0.0028571 k( 70) = ( -0.1190355 0.1190355 0.4737266), wk = 0.0028571 k( 71) = ( -0.1256038 0.1256038 0.4671582), wk = 0.0028571 k( 72) = ( -0.1321722 0.1321722 0.4605899), wk = 0.0028571 k( 73) = ( -0.1387405 0.1387405 0.4540215), wk = 0.0028571 k( 74) = ( -0.1453089 0.1453089 0.4474532), wk = 0.0028571 k( 75) = ( -0.1518772 0.1518772 0.4408848), wk = 0.0028571 k( 76) = ( -0.1584456 0.1584456 0.4343165), wk = 0.0028571 k( 77) = ( -0.1650139 0.1650139 0.4277481), wk = 0.0028571 k( 78) = ( -0.1715823 0.1715823 0.4211797), wk = 0.0028571 k( 79) = ( -0.1781506 0.1781506 0.4146114), wk = 0.0028571 k( 80) = ( -0.1847190 0.1847190 0.4080430), wk = 0.0028571 k( 81) = ( -0.1912873 0.1912874 0.4014747), wk = 0.0028571 k( 82) = ( -0.1978557 0.1978557 0.3949063), wk = 0.0028571 k( 83) = ( -0.2044241 0.2044241 0.3883380), wk = 0.0028571 k( 84) = ( -0.2109924 0.2109924 0.3817696), wk = 0.0028571 k( 85) = ( -0.2175608 0.2175608 0.3752013), wk = 0.0028571 k( 86) = ( -0.2241291 0.2241291 0.3686329), wk = 0.0028571 k( 87) = ( -0.2306975 0.2306975 0.3620646), wk = 0.0028571 k( 88) = ( -0.2372658 0.2372658 0.3554962), wk = 0.0028571 k( 89) = ( -0.2438342 0.2438342 0.3489278), wk = 0.0028571 k( 90) = ( -0.2504025 0.2504025 0.3423595), wk = 0.0028571 k( 91) = ( -0.2569709 0.2569709 0.3357911), wk = 0.0028571 k( 92) = ( -0.2635393 0.2635393 0.3292228), wk = 0.0028571 k( 93) = ( -0.2701076 0.2701076 0.3226544), wk = 0.0028571 k( 94) = ( -0.2766760 0.2766760 0.3160861), wk = 0.0028571 k( 95) = ( -0.2832443 0.2832443 0.3095177), wk = 0.0028571 k( 96) = ( -0.2898127 0.2898127 0.3029494), wk = 0.0028571 k( 97) = ( -0.2963810 0.2963810 0.2963810), wk = 0.0028571 k( 98) = ( -0.2963810 0.2963810 0.2963810), wk = 0.0028571 k( 99) = ( -0.2897948 0.2897948 0.2897948), wk = 0.0028571 k( 100) = ( -0.2832085 0.2832085 0.2832085), wk = 0.0028571 k( 101) = ( -0.2766223 0.2766223 0.2766223), wk = 0.0028571 k( 102) = ( -0.2700360 0.2700360 0.2700360), wk = 0.0028571 k( 103) = ( -0.2634498 0.2634498 0.2634498), wk = 0.0028571 k( 104) = ( -0.2568635 0.2568636 0.2568635), wk = 0.0028571 k( 105) = ( -0.2502773 0.2502773 0.2502773), wk = 0.0028571 k( 106) = ( -0.2436911 0.2436911 0.2436911), wk = 0.0028571 k( 107) = ( -0.2371048 0.2371048 0.2371048), wk = 0.0028571 k( 108) = ( -0.2305186 0.2305186 0.2305186), wk = 0.0028571 k( 109) = ( -0.2239323 0.2239323 0.2239323), wk = 0.0028571 k( 110) = ( -0.2173461 0.2173461 0.2173461), wk = 0.0028571 k( 111) = ( -0.2107598 0.2107598 0.2107598), wk = 0.0028571 k( 112) = ( -0.2041736 0.2041736 0.2041736), wk = 0.0028571 k( 113) = ( -0.1975873 0.1975873 0.1975874), wk = 0.0028571 k( 114) = ( -0.1910011 0.1910011 0.1910011), wk = 0.0028571 k( 115) = ( -0.1844149 0.1844149 0.1844149), wk = 0.0028571 k( 116) = ( -0.1778286 0.1778286 0.1778286), wk = 0.0028571 k( 117) = ( -0.1712424 0.1712424 0.1712424), wk = 0.0028571 k( 118) = ( -0.1646561 0.1646561 0.1646561), wk = 0.0028571 k( 119) = ( -0.1580699 0.1580699 0.1580699), wk = 0.0028571 k( 120) = ( -0.1514836 0.1514836 0.1514836), wk = 0.0028571 k( 121) = ( -0.1448974 0.1448974 0.1448974), wk = 0.0028571 k( 122) = ( -0.1383111 0.1383111 0.1383111), wk = 0.0028571 k( 123) = ( -0.1317249 0.1317249 0.1317249), wk = 0.0028571 k( 124) = ( -0.1251386 0.1251387 0.1251386), wk = 0.0028571 k( 125) = ( -0.1185524 0.1185524 0.1185524), wk = 0.0028571 k( 126) = ( -0.1119662 0.1119662 0.1119662), wk = 0.0028571 k( 127) = ( -0.1053799 0.1053799 0.1053799), wk = 0.0028571 k( 128) = ( -0.0987937 0.0987937 0.0987937), wk = 0.0028571 k( 129) = ( -0.0922074 0.0922074 0.0922074), wk = 0.0028571 k( 130) = ( -0.0856212 0.0856212 0.0856212), wk = 0.0028571 k( 131) = ( -0.0790349 0.0790349 0.0790349), wk = 0.0028571 k( 132) = ( -0.0724487 0.0724487 0.0724487), wk = 0.0028571 k( 133) = ( -0.0658625 0.0658624 0.0658625), wk = 0.0028571 k( 134) = ( -0.0592762 0.0592762 0.0592762), wk = 0.0028571 k( 135) = ( -0.0526900 0.0526900 0.0526900), wk = 0.0028571 k( 136) = ( -0.0461037 0.0461037 0.0461037), wk = 0.0028571 k( 137) = ( -0.0395175 0.0395175 0.0395175), wk = 0.0028571 k( 138) = ( -0.0329312 0.0329312 0.0329312), wk = 0.0028571 k( 139) = ( -0.0263450 0.0263450 0.0263450), wk = 0.0028571 k( 140) = ( -0.0197587 0.0197587 0.0197587), wk = 0.0028571 k( 141) = ( -0.0131725 0.0131725 0.0131725), wk = 0.0028571 k( 142) = ( -0.0065862 0.0065862 0.0065862), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 145) = ( 0.0151515 0.0151515 -0.0151515), wk = 0.0028571 k( 146) = ( 0.0303030 0.0303030 -0.0303030), wk = 0.0028571 k( 147) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0028571 k( 148) = ( 0.0606061 0.0606061 -0.0606061), wk = 0.0028571 k( 149) = ( 0.0757576 0.0757576 -0.0757576), wk = 0.0028571 k( 150) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0028571 k( 151) = ( 0.1060606 0.1060606 -0.1060606), wk = 0.0028571 k( 152) = ( 0.1212121 0.1212121 -0.1212121), wk = 0.0028571 k( 153) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0028571 k( 154) = ( 0.1515151 0.1515151 -0.1515151), wk = 0.0028571 k( 155) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028571 k( 156) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0028571 k( 157) = ( 0.1969697 0.1969697 -0.1969697), wk = 0.0028571 k( 158) = ( 0.2121212 0.2121212 -0.2121212), wk = 0.0028571 k( 159) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0028571 k( 160) = ( 0.2424242 0.2424242 -0.2424242), wk = 0.0028571 k( 161) = ( 0.2575758 0.2575758 -0.2575758), wk = 0.0028571 k( 162) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0028571 k( 163) = ( 0.2878788 0.2878788 -0.2878788), wk = 0.0028571 k( 164) = ( 0.3030303 0.3030303 -0.3030303), wk = 0.0028571 k( 165) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0028571 k( 166) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028571 k( 167) = ( 0.3484849 0.3484848 -0.3484849), wk = 0.0028571 k( 168) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0028571 k( 169) = ( 0.3787879 0.3787879 -0.3787879), wk = 0.0028571 k( 170) = ( 0.3939394 0.3939394 -0.3939394), wk = 0.0028571 k( 171) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0028571 k( 172) = ( 0.4242424 0.4242424 -0.4242424), wk = 0.0028571 k( 173) = ( 0.4393939 0.4393939 -0.4393939), wk = 0.0028571 k( 174) = ( 0.4545455 0.4545455 -0.4545454), wk = 0.0028571 k( 175) = ( 0.4696970 0.4696970 -0.4696970), wk = 0.0028571 k( 176) = ( 0.4848485 0.4848485 -0.4848485), wk = 0.0028571 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 178) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 179) = ( 0.4934316 0.5065684 -0.4934316), wk = 0.0028571 k( 180) = ( 0.4868633 0.5131367 -0.4868633), wk = 0.0028571 k( 181) = ( 0.4802949 0.5197051 -0.4802949), wk = 0.0028571 k( 182) = ( 0.4737266 0.5262734 -0.4737266), wk = 0.0028571 k( 183) = ( 0.4671582 0.5328418 -0.4671582), wk = 0.0028571 k( 184) = ( 0.4605899 0.5394101 -0.4605899), wk = 0.0028571 k( 185) = ( 0.4540215 0.5459785 -0.4540215), wk = 0.0028571 k( 186) = ( 0.4474532 0.5525468 -0.4474532), wk = 0.0028571 k( 187) = ( 0.4408848 0.5591152 -0.4408848), wk = 0.0028571 k( 188) = ( 0.4343165 0.5656835 -0.4343165), wk = 0.0028571 k( 189) = ( 0.4277481 0.5722519 -0.4277481), wk = 0.0028571 k( 190) = ( 0.4211798 0.5788203 -0.4211798), wk = 0.0028571 k( 191) = ( 0.4146114 0.5853886 -0.4146114), wk = 0.0028571 k( 192) = ( 0.4080430 0.5919570 -0.4080430), wk = 0.0028571 k( 193) = ( 0.4014747 0.5985253 -0.4014747), wk = 0.0028571 k( 194) = ( 0.3949063 0.6050937 -0.3949063), wk = 0.0028571 k( 195) = ( 0.3883380 0.6116620 -0.3883380), wk = 0.0028571 k( 196) = ( 0.3817696 0.6182304 -0.3817696), wk = 0.0028571 k( 197) = ( 0.3752013 0.6247987 -0.3752013), wk = 0.0028571 k( 198) = ( 0.3686329 0.6313671 -0.3686329), wk = 0.0028571 k( 199) = ( 0.3620646 0.6379354 -0.3620646), wk = 0.0028571 k( 200) = ( 0.3554962 0.6445038 -0.3554962), wk = 0.0028571 k( 201) = ( 0.3489278 0.6510721 -0.3489279), wk = 0.0028571 k( 202) = ( 0.3423595 0.6576405 -0.3423595), wk = 0.0028571 k( 203) = ( 0.3357911 0.6642089 -0.3357911), wk = 0.0028571 k( 204) = ( 0.3292228 0.6707772 -0.3292228), wk = 0.0028571 k( 205) = ( 0.3226544 0.6773456 -0.3226544), wk = 0.0028571 k( 206) = ( 0.3160861 0.6839139 -0.3160861), wk = 0.0028571 k( 207) = ( 0.3095177 0.6904823 -0.3095177), wk = 0.0028571 k( 208) = ( 0.3029494 0.6970506 -0.3029494), wk = 0.0028571 k( 209) = ( 0.2963810 0.7036190 -0.2963810), wk = 0.0028571 k( 210) = ( 0.2963810 0.7036190 -0.2963810), wk = 0.0028571 k( 211) = ( 0.2799154 0.6923068 -0.2799154), wk = 0.0028571 k( 212) = ( 0.2634498 0.6809947 -0.2634498), wk = 0.0028571 k( 213) = ( 0.2469842 0.6696825 -0.2469842), wk = 0.0028571 k( 214) = ( 0.2305186 0.6583703 -0.2305186), wk = 0.0028571 k( 215) = ( 0.2140530 0.6470581 -0.2140530), wk = 0.0028571 k( 216) = ( 0.1975873 0.6357460 -0.1975874), wk = 0.0028571 k( 217) = ( 0.1811217 0.6244338 -0.1811217), wk = 0.0028571 k( 218) = ( 0.1646561 0.6131217 -0.1646561), wk = 0.0028571 k( 219) = ( 0.1481905 0.6018095 -0.1481905), wk = 0.0028571 k( 220) = ( 0.1317249 0.5904973 -0.1317249), wk = 0.0028571 k( 221) = ( 0.1152593 0.5791852 -0.1152593), wk = 0.0028571 k( 222) = ( 0.0987937 0.5678730 -0.0987937), wk = 0.0028571 k( 223) = ( 0.0823281 0.5565608 -0.0823281), wk = 0.0028571 k( 224) = ( 0.0658625 0.5452487 -0.0658625), wk = 0.0028571 k( 225) = ( 0.0493968 0.5339365 -0.0493968), wk = 0.0028571 k( 226) = ( 0.0329312 0.5226243 -0.0329312), wk = 0.0028571 k( 227) = ( 0.0164656 0.5113122 -0.0164656), wk = 0.0028571 k( 228) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 229) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 230) = ( 0.0065790 0.4934211 0.0065790), wk = 0.0028571 k( 231) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028571 k( 232) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028571 k( 233) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028571 k( 234) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028571 k( 235) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028571 k( 236) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028571 k( 237) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028571 k( 238) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028571 k( 239) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028571 k( 240) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028571 k( 241) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028571 k( 242) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028571 k( 243) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028571 k( 244) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028571 k( 245) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028571 k( 246) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028571 k( 247) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0028571 k( 248) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028571 k( 249) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0028571 k( 250) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028571 k( 251) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028571 k( 252) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028571 k( 253) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028571 k( 254) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028571 k( 255) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028571 k( 256) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028571 k( 257) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028571 k( 258) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028571 k( 259) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028571 k( 260) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028571 k( 261) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028571 k( 262) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028571 k( 263) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028571 k( 264) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028571 k( 265) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028571 k( 266) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0028571 k( 267) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 k( 269) = ( 0.2631579 0.2631579 0.2319599), wk = 0.0028571 k( 270) = ( 0.2763158 0.2763158 0.2139198), wk = 0.0028571 k( 271) = ( 0.2894737 0.2894737 0.1958797), wk = 0.0028571 k( 272) = ( 0.3026316 0.3026316 0.1778396), wk = 0.0028571 k( 273) = ( 0.3157895 0.3157895 0.1597995), wk = 0.0028571 k( 274) = ( 0.3289474 0.3289474 0.1417594), wk = 0.0028571 k( 275) = ( 0.3421053 0.3421053 0.1237193), wk = 0.0028571 k( 276) = ( 0.3552632 0.3552632 0.1056791), wk = 0.0028571 k( 277) = ( 0.3684211 0.3684211 0.0876390), wk = 0.0028571 k( 278) = ( 0.3815789 0.3815789 0.0695989), wk = 0.0028571 k( 279) = ( 0.3947368 0.3947368 0.0515588), wk = 0.0028571 k( 280) = ( 0.4078947 0.4078947 0.0335187), wk = 0.0028571 k( 281) = ( 0.4210526 0.4210526 0.0154786), wk = 0.0028571 k( 282) = ( 0.4342105 0.4342105 -0.0025615), wk = 0.0028571 k( 283) = ( 0.4473684 0.4473684 -0.0206016), wk = 0.0028571 k( 284) = ( 0.4605263 0.4605263 -0.0386417), wk = 0.0028571 k( 285) = ( 0.4736842 0.4736842 -0.0566818), wk = 0.0028571 k( 286) = ( 0.4868421 0.4868421 -0.0747219), wk = 0.0028571 k( 287) = ( 0.5000000 0.5000000 -0.0927620), wk = 0.0028571 k( 288) = ( 0.5000000 0.5000000 -0.0927620), wk = 0.0028571 k( 289) = ( 0.5000000 0.5000000 -0.1020174), wk = 0.0028571 k( 290) = ( 0.5000000 0.5000000 -0.1112728), wk = 0.0028571 k( 291) = ( 0.5000000 0.5000000 -0.1205283), wk = 0.0028571 k( 292) = ( 0.5000000 0.5000000 -0.1297837), wk = 0.0028571 k( 293) = ( 0.5000000 0.5000000 -0.1390391), wk = 0.0028571 k( 294) = ( 0.5000000 0.5000000 -0.1482945), wk = 0.0028571 k( 295) = ( 0.5000000 0.5000000 -0.1575499), wk = 0.0028571 k( 296) = ( 0.5000000 0.5000000 -0.1668053), wk = 0.0028571 k( 297) = ( 0.5000000 0.5000000 -0.1760607), wk = 0.0028571 k( 298) = ( 0.5000000 0.5000000 -0.1853161), wk = 0.0028571 k( 299) = ( 0.5000000 0.5000000 -0.1945715), wk = 0.0028571 k( 300) = ( 0.5000000 0.5000000 -0.2038269), wk = 0.0028571 k( 301) = ( 0.5000000 0.5000000 -0.2130823), wk = 0.0028571 k( 302) = ( 0.5000000 0.5000000 -0.2223378), wk = 0.0028571 k( 303) = ( 0.5000000 0.5000000 -0.2315932), wk = 0.0028571 k( 304) = ( 0.5000000 0.5000000 -0.2408486), wk = 0.0028571 k( 305) = ( 0.5000000 0.5000000 -0.2501040), wk = 0.0028571 k( 306) = ( 0.5000000 0.5000000 -0.2593594), wk = 0.0028571 k( 307) = ( 0.5000000 0.5000000 -0.2686148), wk = 0.0028571 k( 308) = ( 0.5000000 0.5000000 -0.2778702), wk = 0.0028571 k( 309) = ( 0.5000000 0.5000000 -0.2871256), wk = 0.0028571 k( 310) = ( 0.5000000 0.5000000 -0.2963810), wk = 0.0028571 k( 311) = ( 0.5000000 0.5000000 -0.3056364), wk = 0.0028571 k( 312) = ( 0.5000000 0.5000000 -0.3148918), wk = 0.0028571 k( 313) = ( 0.5000000 0.5000000 -0.3241472), wk = 0.0028571 k( 314) = ( 0.5000000 0.5000000 -0.3334027), wk = 0.0028571 k( 315) = ( 0.5000000 0.5000000 -0.3426581), wk = 0.0028571 k( 316) = ( 0.5000000 0.5000000 -0.3519135), wk = 0.0028571 k( 317) = ( 0.5000000 0.5000000 -0.3611689), wk = 0.0028571 k( 318) = ( 0.5000000 0.5000000 -0.3704243), wk = 0.0028571 k( 319) = ( 0.5000000 0.5000000 -0.3796797), wk = 0.0028571 k( 320) = ( 0.5000000 0.5000000 -0.3889351), wk = 0.0028571 k( 321) = ( 0.5000000 0.5000000 -0.3981905), wk = 0.0028571 k( 322) = ( 0.5000000 0.5000000 -0.4074459), wk = 0.0028571 k( 323) = ( 0.5000000 0.5000000 -0.4167013), wk = 0.0028571 k( 324) = ( 0.5000000 0.5000000 -0.4259567), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.4352121), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 -0.4444675), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 -0.4537230), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 -0.4629784), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 -0.4722338), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 -0.4814892), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 -0.4907446), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028571 k( 333) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 334) = ( 0.0147059 0.0147059 0.4852941), wk = 0.0028571 k( 335) = ( 0.0294118 0.0294118 0.4705882), wk = 0.0028571 k( 336) = ( 0.0441177 0.0441176 0.4558823), wk = 0.0028571 k( 337) = ( 0.0588235 0.0588235 0.4411765), wk = 0.0028571 k( 338) = ( 0.0735294 0.0735294 0.4264706), wk = 0.0028571 k( 339) = ( 0.0882353 0.0882353 0.4117647), wk = 0.0028571 k( 340) = ( 0.1029412 0.1029412 0.3970588), wk = 0.0028571 k( 341) = ( 0.1176471 0.1176471 0.3823529), wk = 0.0028571 k( 342) = ( 0.1323529 0.1323529 0.3676471), wk = 0.0028571 k( 343) = ( 0.1470588 0.1470588 0.3529412), wk = 0.0028571 k( 344) = ( 0.1617647 0.1617647 0.3382353), wk = 0.0028571 k( 345) = ( 0.1764706 0.1764706 0.3235294), wk = 0.0028571 k( 346) = ( 0.1911765 0.1911765 0.3088235), wk = 0.0028571 k( 347) = ( 0.2058823 0.2058823 0.2941177), wk = 0.0028571 k( 348) = ( 0.2205882 0.2205882 0.2794118), wk = 0.0028571 k( 349) = ( 0.2352941 0.2352941 0.2647059), wk = 0.0028571 k( 350) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028571 Dense grid: 88481 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 24495 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 136, 40) NL pseudopotentials 0.18 Mb ( 68, 170) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1844) G-vector shells 0.01 Mb ( 867) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 136, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.21 Mb ( 170, 2, 40) The potential is recalculated from file : ./CaSi3Pt.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 46.2 secs Computing kpt #: 2 total cpu time spent up to now is 48.7 secs Computing kpt #: 3 total cpu time spent up to now is 51.4 secs Computing kpt #: 4 total cpu time spent up to now is 54.1 secs Computing kpt #: 5 total cpu time spent up to now is 56.6 secs Computing kpt #: 6 total cpu time spent up to now is 59.1 secs Computing kpt #: 7 total cpu time spent up to now is 61.5 secs Computing kpt #: 8 total cpu time spent up to now is 63.7 secs Computing kpt #: 9 total cpu time spent up to now is 65.9 secs Computing kpt #: 10 total cpu time spent up to now is 68.0 secs Computing kpt #: 11 total cpu time spent up to now is 70.0 secs Computing kpt #: 12 total cpu time spent up to now is 71.8 secs Computing kpt #: 13 total cpu time spent up to now is 73.7 secs Computing kpt #: 14 total cpu time spent up to now is 75.4 secs Computing kpt #: 15 total cpu time spent up to now is 77.2 secs Computing kpt #: 16 total cpu time spent up to now is 79.0 secs Computing kpt #: 17 total cpu time spent up to now is 80.9 secs Computing kpt #: 18 total cpu time spent up to now is 82.9 secs Computing kpt #: 19 total cpu time spent up to now is 84.9 secs Computing kpt #: 20 total cpu time spent up to now is 87.1 secs Computing kpt #: 21 total cpu time spent up to now is 89.3 secs Computing kpt #: 22 total cpu time spent up to now is 91.7 secs Computing kpt #: 23 total cpu time spent up to now is 94.3 secs Computing kpt #: 24 total cpu time spent up to now is 97.4 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.6 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.9 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.2 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.4 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.7 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.9 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.1 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.3 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.2 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.4 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 139.7 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.9 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.2 secs Computing kpt #: 40 total cpu time spent up to now is 149.3 secs Computing kpt #: 41 total cpu time spent up to now is 151.9 secs Computing kpt #: 42 total cpu time spent up to now is 154.4 secs Computing kpt #: 43 total cpu time spent up to now is 156.8 secs Computing kpt #: 44 total cpu time spent up to now is 159.1 secs Computing kpt #: 45 total cpu time spent up to now is 161.5 secs Computing kpt #: 46 total cpu time spent up to now is 164.4 secs Computing kpt #: 47 total cpu time spent up to now is 167.2 secs Computing kpt #: 48 total cpu time spent up to now is 170.3 secs Computing kpt #: 49 total cpu time spent up to now is 173.6 secs Computing kpt #: 50 total cpu time spent up to now is 176.4 secs Computing kpt #: 51 total cpu time spent up to now is 179.5 secs Computing kpt #: 52 total cpu time spent up to now is 182.7 secs Computing kpt #: 53 total cpu time spent up to now is 186.0 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.3 secs Computing kpt #: 55 total cpu time spent up to now is 192.4 secs Computing kpt #: 56 total cpu time spent up to now is 195.9 secs Computing kpt #: 57 total cpu time spent up to now is 200.7 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.3 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.8 secs Computing kpt #: 62 total cpu time spent up to now is 217.5 secs Computing kpt #: 63 total cpu time spent up to now is 219.9 secs Computing kpt #: 64 total cpu time spent up to now is 222.1 secs Computing kpt #: 65 total cpu time spent up to now is 224.5 secs Computing kpt #: 66 total cpu time spent up to now is 226.9 secs Computing kpt #: 67 total cpu time spent up to now is 229.4 secs Computing kpt #: 68 total cpu time spent up to now is 231.8 secs Computing kpt #: 69 total cpu time spent up to now is 234.2 secs Computing kpt #: 70 total cpu time spent up to now is 236.6 secs Computing kpt #: 71 total cpu time spent up to now is 238.8 secs Computing kpt #: 72 total cpu time spent up to now is 241.0 secs Computing kpt #: 73 total cpu time spent up to now is 243.2 secs Computing kpt #: 74 total cpu time spent up to now is 245.4 secs Computing kpt #: 75 total cpu time spent up to now is 247.6 secs Computing kpt #: 76 total cpu time spent up to now is 249.9 secs Computing kpt #: 77 total cpu time spent up to now is 252.1 secs Computing kpt #: 78 total cpu time spent up to now is 254.5 secs Computing kpt #: 79 total cpu time spent up to now is 256.8 secs Computing kpt #: 80 total cpu time spent up to now is 259.3 secs Computing kpt #: 81 total cpu time spent up to now is 262.0 secs Computing kpt #: 82 total cpu time spent up to now is 264.7 secs Computing kpt #: 83 total cpu time spent up to now is 267.3 secs Computing kpt #: 84 total cpu time spent up to now is 269.9 secs Computing kpt #: 85 total cpu time spent up to now is 272.5 secs Computing kpt #: 86 total cpu time spent up to now is 275.1 secs Computing kpt #: 87 total cpu time spent up to now is 277.5 secs Computing kpt #: 88 total cpu time spent up to now is 280.1 secs Computing kpt #: 89 total cpu time spent up to now is 282.6 secs Computing kpt #: 90 total cpu time spent up to now is 285.2 secs Computing kpt #: 91 total cpu time spent up to now is 287.6 secs Computing kpt #: 92 total cpu time spent up to now is 290.4 secs Computing kpt #: 93 total cpu time spent up to now is 293.3 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.7 secs Computing kpt #: 95 total cpu time spent up to now is 299.4 secs Computing kpt #: 96 total cpu time spent up to now is 302.3 secs Computing kpt #: 97 total cpu time spent up to now is 305.0 secs Computing kpt #: 98 total cpu time spent up to now is 307.8 secs Computing kpt #: 99 total cpu time spent up to now is 310.7 secs Computing kpt #: 100 total cpu time spent up to now is 313.2 secs Computing kpt #: 101 total cpu time spent up to now is 315.7 secs Computing kpt #: 102 total cpu time spent up to now is 318.3 secs Computing kpt #: 103 total cpu time spent up to now is 320.8 secs Computing kpt #: 104 total cpu time spent up to now is 323.9 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 334.1 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.4 secs Computing kpt #: 109 total cpu time spent up to now is 340.1 secs Computing kpt #: 110 total cpu time spent up to now is 342.7 secs Computing kpt #: 111 total cpu time spent up to now is 345.2 secs Computing kpt #: 112 total cpu time spent up to now is 347.7 secs Computing kpt #: 113 total cpu time spent up to now is 350.1 secs Computing kpt #: 114 total cpu time spent up to now is 352.7 secs Computing kpt #: 115 total cpu time spent up to now is 355.1 secs Computing kpt #: 116 total cpu time spent up to now is 357.5 secs Computing kpt #: 117 total cpu time spent up to now is 359.8 secs Computing kpt #: 118 total cpu time spent up to now is 362.1 secs Computing kpt #: 119 total cpu time spent up to now is 364.7 secs Computing kpt #: 120 total cpu time spent up to now is 367.2 secs Computing kpt #: 121 total cpu time spent up to now is 369.6 secs Computing kpt #: 122 total cpu time spent up to now is 371.9 secs Computing kpt #: 123 total cpu time spent up to now is 374.1 secs Computing kpt #: 124 total cpu time spent up to now is 376.2 secs Computing kpt #: 125 total cpu time spent up to now is 378.5 secs Computing kpt #: 126 total cpu time spent up to now is 380.8 secs Computing kpt #: 127 total cpu time spent up to now is 383.4 secs Computing kpt #: 128 total cpu time spent up to now is 386.1 secs Computing kpt #: 129 total cpu time spent up to now is 388.8 secs Computing kpt #: 130 total cpu time spent up to now is 391.7 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.0 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.4 secs Computing kpt #: 133 total cpu time spent up to now is 400.8 secs Computing kpt #: 134 total cpu time spent up to now is 403.3 secs Computing kpt #: 135 total cpu time spent up to now is 406.6 secs Computing kpt #: 136 total cpu time spent up to now is 409.7 secs Computing kpt #: 137 total cpu time spent up to now is 412.6 secs Computing kpt #: 138 total cpu time spent up to now is 415.5 secs Computing kpt #: 139 total cpu time spent up to now is 418.1 secs Computing kpt #: 140 total cpu time spent up to now is 420.8 secs Computing kpt #: 141 total cpu time spent up to now is 423.2 secs Computing kpt #: 142 total cpu time spent up to now is 425.5 secs Computing kpt #: 143 total cpu time spent up to now is 428.2 secs Computing kpt #: 144 total cpu time spent up to now is 430.8 secs Computing kpt #: 145 total cpu time spent up to now is 433.3 secs Computing kpt #: 146 total cpu time spent up to now is 436.0 secs Computing kpt #: 147 total cpu time spent up to now is 438.8 secs Computing kpt #: 148 total cpu time spent up to now is 441.6 secs Computing kpt #: 149 total cpu time spent up to now is 444.1 secs Computing kpt #: 150 total cpu time spent up to now is 446.7 secs Computing kpt #: 151 total cpu time spent up to now is 449.8 secs Computing kpt #: 152 total cpu time spent up to now is 452.8 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.0 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.2 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 462.5 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 465.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 468.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.1 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.2 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 478.4 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 481.5 secs Computing kpt #: 162 total cpu time spent up to now is 484.5 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.7 secs Computing kpt #: 164 total cpu time spent up to now is 490.6 secs Computing kpt #: 165 total cpu time spent up to now is 493.6 secs Computing kpt #: 166 total cpu time spent up to now is 496.8 secs Computing kpt #: 167 total cpu time spent up to now is 500.0 secs Computing kpt #: 168 total cpu time spent up to now is 502.7 secs Computing kpt #: 169 total cpu time spent up to now is 505.3 secs Computing kpt #: 170 total cpu time spent up to now is 507.8 secs Computing kpt #: 171 total cpu time spent up to now is 510.4 secs Computing kpt #: 172 total cpu time spent up to now is 513.3 secs Computing kpt #: 173 total cpu time spent up to now is 516.0 secs Computing kpt #: 174 total cpu time spent up to now is 518.7 secs Computing kpt #: 175 total cpu time spent up to now is 521.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 524.5 secs Computing kpt #: 177 total cpu time spent up to now is 527.6 secs Computing kpt #: 178 total cpu time spent up to now is 530.2 secs Computing kpt #: 179 total cpu time spent up to now is 533.2 secs Computing kpt #: 180 total cpu time spent up to now is 536.0 secs Computing kpt #: 181 total cpu time spent up to now is 538.8 secs Computing kpt #: 182 total cpu time spent up to now is 541.5 secs Computing kpt #: 183 total cpu time spent up to now is 544.0 secs Computing kpt #: 184 total cpu time spent up to now is 546.4 secs Computing kpt #: 185 total cpu time spent up to now is 548.9 secs Computing kpt #: 186 total cpu time spent up to now is 551.5 secs Computing kpt #: 187 total cpu time spent up to now is 554.2 secs Computing kpt #: 188 total cpu time spent up to now is 557.0 secs Computing kpt #: 189 total cpu time spent up to now is 559.7 secs Computing kpt #: 190 total cpu time spent up to now is 562.0 secs Computing kpt #: 191 total cpu time spent up to now is 564.2 secs Computing kpt #: 192 total cpu time spent up to now is 566.3 secs Computing kpt #: 193 total cpu time spent up to now is 568.4 secs Computing kpt #: 194 total cpu time spent up to now is 570.5 secs Computing kpt #: 195 total cpu time spent up to now is 572.6 secs Computing kpt #: 196 total cpu time spent up to now is 574.6 secs Computing kpt #: 197 total cpu time spent up to now is 576.8 secs Computing kpt #: 198 total cpu time spent up to now is 578.9 secs Computing kpt #: 199 total cpu time spent up to now is 581.2 secs Computing kpt #: 200 total cpu time spent up to now is 583.7 secs Computing kpt #: 201 total cpu time spent up to now is 586.1 secs Computing kpt #: 202 total cpu time spent up to now is 588.6 secs Computing kpt #: 203 total cpu time spent up to now is 591.0 secs Computing kpt #: 204 total cpu time spent up to now is 593.4 secs Computing kpt #: 205 total cpu time spent up to now is 596.2 secs Computing kpt #: 206 total cpu time spent up to now is 598.8 secs Computing kpt #: 207 total cpu time spent up to now is 601.6 secs Computing kpt #: 208 total cpu time spent up to now is 604.4 secs Computing kpt #: 209 total cpu time spent up to now is 607.2 secs Computing kpt #: 210 total cpu time spent up to now is 610.0 secs Computing kpt #: 211 total cpu time spent up to now is 612.4 secs Computing kpt #: 212 total cpu time spent up to now is 614.8 secs Computing kpt #: 213 total cpu time spent up to now is 617.0 secs Computing kpt #: 214 total cpu time spent up to now is 619.2 secs Computing kpt #: 215 total cpu time spent up to now is 621.3 secs Computing kpt #: 216 total cpu time spent up to now is 623.4 secs Computing kpt #: 217 total cpu time spent up to now is 625.3 secs Computing kpt #: 218 total cpu time spent up to now is 627.2 secs Computing kpt #: 219 total cpu time spent up to now is 629.1 secs Computing kpt #: 220 total cpu time spent up to now is 630.9 secs Computing kpt #: 221 total cpu time spent up to now is 632.7 secs Computing kpt #: 222 total cpu time spent up to now is 634.3 secs Computing kpt #: 223 total cpu time spent up to now is 636.1 secs Computing kpt #: 224 total cpu time spent up to now is 637.7 secs Computing kpt #: 225 total cpu time spent up to now is 639.4 secs Computing kpt #: 226 total cpu time spent up to now is 641.0 secs Computing kpt #: 227 total cpu time spent up to now is 642.7 secs Computing kpt #: 228 total cpu time spent up to now is 644.3 secs Computing kpt #: 229 total cpu time spent up to now is 646.0 secs Computing kpt #: 230 total cpu time spent up to now is 647.7 secs Computing kpt #: 231 total cpu time spent up to now is 649.4 secs Computing kpt #: 232 total cpu time spent up to now is 651.1 secs Computing kpt #: 233 total cpu time spent up to now is 652.8 secs Computing kpt #: 234 total cpu time spent up to now is 654.5 secs Computing kpt #: 235 total cpu time spent up to now is 656.5 secs Computing kpt #: 236 total cpu time spent up to now is 658.5 secs Computing kpt #: 237 total cpu time spent up to now is 660.7 secs Computing kpt #: 238 total cpu time spent up to now is 663.0 secs Computing kpt #: 239 total cpu time spent up to now is 665.4 secs Computing kpt #: 240 total cpu time spent up to now is 667.8 secs Computing kpt #: 241 total cpu time spent up to now is 670.3 secs Computing kpt #: 242 total cpu time spent up to now is 673.0 secs Computing kpt #: 243 total cpu time spent up to now is 675.5 secs Computing kpt #: 244 total cpu time spent up to now is 677.9 secs Computing kpt #: 245 total cpu time spent up to now is 680.1 secs Computing kpt #: 246 total cpu time spent up to now is 682.3 secs Computing kpt #: 247 total cpu time spent up to now is 684.6 secs Computing kpt #: 248 total cpu time spent up to now is 686.8 secs Computing kpt #: 249 total cpu time spent up to now is 688.9 secs Computing kpt #: 250 total cpu time spent up to now is 691.0 secs Computing kpt #: 251 total cpu time spent up to now is 693.2 secs Computing kpt #: 252 total cpu time spent up to now is 695.3 secs Computing kpt #: 253 total cpu time spent up to now is 697.4 secs Computing kpt #: 254 total cpu time spent up to now is 699.6 secs Computing kpt #: 255 total cpu time spent up to now is 701.7 secs Computing kpt #: 256 total cpu time spent up to now is 703.9 secs Computing kpt #: 257 total cpu time spent up to now is 706.1 secs Computing kpt #: 258 total cpu time spent up to now is 708.5 secs Computing kpt #: 259 total cpu time spent up to now is 710.9 secs Computing kpt #: 260 total cpu time spent up to now is 713.3 secs Computing kpt #: 261 total cpu time spent up to now is 715.9 secs Computing kpt #: 262 total cpu time spent up to now is 718.3 secs Computing kpt #: 263 total cpu time spent up to now is 720.8 secs Computing kpt #: 264 total cpu time spent up to now is 723.4 secs Computing kpt #: 265 total cpu time spent up to now is 725.9 secs Computing kpt #: 266 total cpu time spent up to now is 728.1 secs Computing kpt #: 267 total cpu time spent up to now is 730.5 secs Computing kpt #: 268 total cpu time spent up to now is 732.8 secs Computing kpt #: 269 total cpu time spent up to now is 735.3 secs Computing kpt #: 270 total cpu time spent up to now is 737.6 secs Computing kpt #: 271 total cpu time spent up to now is 740.1 secs Computing kpt #: 272 total cpu time spent up to now is 742.5 secs Computing kpt #: 273 total cpu time spent up to now is 745.0 secs Computing kpt #: 274 total cpu time spent up to now is 747.6 secs Computing kpt #: 275 total cpu time spent up to now is 750.4 secs Computing kpt #: 276 total cpu time spent up to now is 753.2 secs Computing kpt #: 277 total cpu time spent up to now is 756.4 secs Computing kpt #: 278 total cpu time spent up to now is 759.6 secs Computing kpt #: 279 total cpu time spent up to now is 762.4 secs Computing kpt #: 280 total cpu time spent up to now is 765.7 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 769.1 secs Computing kpt #: 282 total cpu time spent up to now is 771.9 secs Computing kpt #: 283 total cpu time spent up to now is 774.4 secs Computing kpt #: 284 total cpu time spent up to now is 776.8 secs Computing kpt #: 285 total cpu time spent up to now is 779.2 secs Computing kpt #: 286 total cpu time spent up to now is 781.6 secs Computing kpt #: 287 total cpu time spent up to now is 784.0 secs Computing kpt #: 288 total cpu time spent up to now is 786.4 secs Computing kpt #: 289 total cpu time spent up to now is 788.8 secs Computing kpt #: 290 total cpu time spent up to now is 791.1 secs Computing kpt #: 291 total cpu time spent up to now is 793.5 secs Computing kpt #: 292 total cpu time spent up to now is 796.0 secs Computing kpt #: 293 total cpu time spent up to now is 799.4 secs Computing kpt #: 294 total cpu time spent up to now is 802.3 secs Computing kpt #: 295 total cpu time spent up to now is 804.6 secs Computing kpt #: 296 total cpu time spent up to now is 806.8 secs Computing kpt #: 297 total cpu time spent up to now is 809.0 secs Computing kpt #: 298 total cpu time spent up to now is 811.3 secs Computing kpt #: 299 total cpu time spent up to now is 813.4 secs Computing kpt #: 300 total cpu time spent up to now is 815.5 secs Computing kpt #: 301 total cpu time spent up to now is 817.6 secs Computing kpt #: 302 total cpu time spent up to now is 819.7 secs Computing kpt #: 303 total cpu time spent up to now is 821.9 secs Computing kpt #: 304 total cpu time spent up to now is 824.0 secs Computing kpt #: 305 total cpu time spent up to now is 826.2 secs Computing kpt #: 306 total cpu time spent up to now is 828.3 secs Computing kpt #: 307 total cpu time spent up to now is 830.4 secs Computing kpt #: 308 total cpu time spent up to now is 832.6 secs Computing kpt #: 309 total cpu time spent up to now is 834.8 secs Computing kpt #: 310 total cpu time spent up to now is 836.9 secs Computing kpt #: 311 total cpu time spent up to now is 839.1 secs Computing kpt #: 312 total cpu time spent up to now is 841.3 secs Computing kpt #: 313 total cpu time spent up to now is 843.5 secs Computing kpt #: 314 total cpu time spent up to now is 845.8 secs Computing kpt #: 315 total cpu time spent up to now is 848.1 secs Computing kpt #: 316 total cpu time spent up to now is 850.3 secs Computing kpt #: 317 total cpu time spent up to now is 852.5 secs Computing kpt #: 318 total cpu time spent up to now is 854.7 secs Computing kpt #: 319 total cpu time spent up to now is 856.9 secs Computing kpt #: 320 total cpu time spent up to now is 859.3 secs Computing kpt #: 321 total cpu time spent up to now is 861.6 secs Computing kpt #: 322 total cpu time spent up to now is 864.0 secs Computing kpt #: 323 total cpu time spent up to now is 866.2 secs Computing kpt #: 324 total cpu time spent up to now is 868.3 secs Computing kpt #: 325 total cpu time spent up to now is 870.6 secs Computing kpt #: 326 total cpu time spent up to now is 872.8 secs Computing kpt #: 327 total cpu time spent up to now is 875.0 secs Computing kpt #: 328 total cpu time spent up to now is 877.1 secs Computing kpt #: 329 total cpu time spent up to now is 879.9 secs Computing kpt #: 330 total cpu time spent up to now is 882.7 secs Computing kpt #: 331 total cpu time spent up to now is 885.8 secs Computing kpt #: 332 total cpu time spent up to now is 888.8 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 892.0 secs Computing kpt #: 334 total cpu time spent up to now is 895.0 secs Computing kpt #: 335 total cpu time spent up to now is 898.2 secs Computing kpt #: 336 total cpu time spent up to now is 901.2 secs Computing kpt #: 337 total cpu time spent up to now is 904.3 secs Computing kpt #: 338 total cpu time spent up to now is 907.0 secs Computing kpt #: 339 total cpu time spent up to now is 909.7 secs Computing kpt #: 340 total cpu time spent up to now is 912.3 secs Computing kpt #: 341 total cpu time spent up to now is 914.8 secs Computing kpt #: 342 total cpu time spent up to now is 917.2 secs Computing kpt #: 343 total cpu time spent up to now is 919.7 secs Computing kpt #: 344 total cpu time spent up to now is 922.1 secs Computing kpt #: 345 total cpu time spent up to now is 924.5 secs Computing kpt #: 346 total cpu time spent up to now is 926.8 secs Computing kpt #: 347 total cpu time spent up to now is 929.1 secs Computing kpt #: 348 total cpu time spent up to now is 931.5 secs Computing kpt #: 349 total cpu time spent up to now is 933.8 secs Computing kpt #: 350 total cpu time spent up to now is 936.1 secs ethr = 3.13E-11, avg # of iterations = 76.3 total cpu time spent up to now is 936.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -29.7089 -29.7089 -11.0151 -11.0151 -10.6603 -10.6603 -10.6055 -10.6055 -1.3373 -1.3373 3.9028 3.9028 3.9813 3.9813 4.9552 4.9552 5.2598 5.2598 6.5084 6.5084 6.8881 6.8881 7.5086 7.5086 8.0976 8.0976 8.7714 8.7714 9.0404 9.0404 11.0380 11.0380 11.3481 11.3481 11.5176 11.5176 13.1265 13.1265 14.6625 14.6625 k = 0.0000 0.0000 0.0181 ( 3055 PWs) bands (ev): -29.7089 -29.7089 -11.0152 -11.0151 -10.6604 -10.6602 -10.6055 -10.6055 -1.3364 -1.3353 3.9024 3.9035 3.9692 3.9889 4.9491 4.9602 5.2414 5.2769 6.5084 6.5118 6.8848 6.8893 7.4818 7.5305 8.0876 8.1067 8.7491 8.8010 9.0399 9.0474 11.0220 11.0409 11.3392 11.3600 11.5116 11.5131 13.1320 13.1342 14.6619 14.6650 k = 0.0000 0.0000 0.0363 ( 3055 PWs) bands (ev): -29.7089 -29.7089 -11.0154 -11.0150 -10.6606 -10.6602 -10.6057 -10.6056 -1.3325 -1.3304 3.9019 3.9044 3.9532 3.9917 4.9424 4.9639 5.2219 5.2927 6.5119 6.5187 6.8794 6.8884 7.4508 7.5467 8.0770 8.1141 8.7352 8.8367 9.0456 9.0607 10.9962 11.0269 11.3364 11.3698 11.4977 11.4993 13.1507 13.1550 14.6617 14.6684 k = 0.0000 0.0000 0.0544 ( 3051 PWs) bands (ev): -29.7088 -29.7088 -11.0156 -11.0150 -10.6607 -10.6601 -10.6059 -10.6059 -1.3257 -1.3225 3.8999 3.9054 3.9351 3.9898 4.9354 4.9659 5.2013 5.3073 6.5186 6.5289 6.8719 6.8852 7.4168 7.5573 8.0660 8.1192 8.7307 8.8773 9.0575 9.0803 10.9623 10.9944 11.3367 11.3684 11.4823 11.4848 13.1817 13.1878 14.6580 14.6693 k = 0.0000 0.0000 0.0725 ( 3055 PWs) bands (ev): -29.7088 -29.7088 -11.0158 -11.0151 -10.6609 -10.6601 -10.6062 -10.6062 -1.3160 -1.3118 3.8903 3.9060 3.9211 3.9835 4.9283 4.9660 5.1799 5.3209 6.5283 6.5423 6.8623 6.8794 7.3809 7.5622 8.0547 8.1211 8.7359 8.9214 9.0757 9.1061 10.9213 10.9447 11.3275 11.3446 11.4759 11.4861 13.2237 13.2316 14.6445 14.6615 k = 0.0000 0.0000 0.0907 ( 3059 PWs) bands (ev): -29.7088 -29.7088 -11.0161 -11.0152 -10.6612 -10.6602 -10.6067 -10.6066 -1.3034 -1.2981 3.8673 3.9049 3.9174 3.9740 4.9213 4.9641 5.1580 5.3336 6.5406 6.5587 6.8505 6.8707 7.3444 7.5621 8.0431 8.1196 8.7503 8.9668 9.1008 9.1381 10.8734 10.8808 11.2956 11.2985 11.4934 11.5042 13.2755 13.2850 14.6143 14.6381 k = 0.0000 0.0000 0.1088 ( 3067 PWs) bands (ev): -29.7087 -29.7087 -11.0164 -11.0153 -10.6614 -10.6603 -10.6072 -10.6072 -1.2878 -1.2816 3.8367 3.8995 3.9183 3.9639 4.9144 4.9602 5.1363 5.3456 6.5551 6.5776 6.8364 6.8587 7.3086 7.5576 8.0312 8.1147 8.7726 9.0103 9.1346 9.1762 10.8056 10.8192 11.2382 11.2442 11.5318 11.5340 13.3355 13.3465 14.5637 14.5946 k = 0.0000 0.0000 0.1269 ( 3072 PWs) bands (ev): -29.7087 -29.7087 -11.0167 -11.0155 -10.6617 -10.6604 -10.6079 -10.6078 -1.2694 -1.2621 3.8019 3.8862 3.9209 3.9573 4.9070 4.9544 5.1154 5.3570 6.5713 6.5988 6.8200 6.8429 7.2747 7.5495 8.0190 8.1071 8.8008 9.0485 9.1790 9.2205 10.7214 10.7591 11.1692 11.1813 11.5730 11.5841 13.4022 13.4149 14.4943 14.5326 k = 0.0000 0.0000 0.1451 ( 3072 PWs) bands (ev): -29.7086 -29.7086 -11.0171 -11.0157 -10.6620 -10.6605 -10.6085 -10.6085 -1.2481 -1.2398 3.7639 3.8634 3.9242 3.9557 4.8988 4.9467 5.0963 5.3680 6.5887 6.6217 6.8015 6.8228 7.2438 7.5386 8.0067 8.0974 8.8324 9.0795 9.2341 9.2709 10.6305 10.6940 11.0951 11.1117 11.6206 11.6465 13.4744 13.4890 14.4113 14.4569 k = 0.0000 0.0000 0.1632 ( 3072 PWs) bands (ev): -29.7086 -29.7086 -11.0174 -11.0159 -10.6624 -10.6606 -10.6093 -10.6092 -1.2240 -1.2147 3.7232 3.8328 3.9278 3.9579 4.8888 4.9375 5.0800 5.3788 6.6065 6.6457 6.7810 6.7985 7.2167 7.5257 7.9942 8.0863 8.8650 9.1040 9.2974 9.3270 10.5351 10.6248 11.0185 11.0384 11.6764 11.7172 13.5503 13.5677 14.3199 14.3723 k = 0.0000 0.0000 0.1813 ( 3068 PWs) bands (ev): -29.7085 -29.7085 -11.0178 -11.0161 -10.6627 -10.6607 -10.6101 -10.6101 -1.1970 -1.1867 3.6802 3.7964 3.9317 3.9622 4.8763 4.9270 5.0676 5.3895 6.6237 6.6697 6.7596 6.7702 7.1938 7.5114 7.9817 8.0746 8.8968 9.1228 9.3660 9.3877 10.4373 10.5526 10.9422 10.9637 11.7403 11.7954 13.6283 13.6500 14.2247 14.2825 k = 0.0000 0.0000 0.1995 ( 3068 PWs) bands (ev): -29.7084 -29.7084 -11.0183 -11.0164 -10.6631 -10.6609 -10.6111 -10.6110 -1.1672 -1.1559 3.6353 3.7554 3.9355 3.9677 4.8606 4.9154 5.0596 5.4003 6.6382 6.6892 6.7401 6.7412 7.1751 7.4962 7.9692 8.0625 8.9259 9.1364 9.4368 9.4505 10.3400 10.4787 10.8687 10.8897 11.8122 11.8804 13.7049 13.7351 14.1310 14.1906 k = 0.0000 0.0000 0.2176 ( 3072 PWs) bands (ev): -29.7083 -29.7083 -11.0188 -11.0168 -10.6634 -10.6611 -10.6121 -10.6119 -1.1346 -1.1224 3.5886 3.7108 3.9392 3.9738 4.8419 4.9031 5.0563 5.4112 6.6435 6.6873 6.7145 6.7427 7.1604 7.4806 7.9568 8.0506 8.9512 9.1448 9.5066 9.5113 10.2470 10.4043 10.8013 10.8186 11.8919 11.9718 13.7706 13.8214 14.0496 14.0990 k = 0.0000 0.0000 0.2357 ( 3080 PWs) bands (ev): -29.7083 -29.7083 -11.0193 -11.0171 -10.6639 -10.6614 -10.6132 -10.6130 -1.0993 -1.0860 3.5406 3.6633 3.9425 3.9800 4.8206 4.8904 5.0572 5.4224 6.6263 6.6643 6.7070 6.7635 7.1490 7.4649 7.9445 8.0390 8.9718 9.1477 9.5630 9.5716 10.1640 10.3306 10.7442 10.7537 11.9789 12.0692 13.7932 13.9027 14.0139 14.0151 k = 0.0000 0.0000 0.2539 ( 3084 PWs) bands (ev): -29.7082 -29.7082 -11.0198 -11.0175 -10.6643 -10.6616 -10.6143 -10.6141 -1.0612 -1.0470 3.4913 3.6135 3.9452 3.9861 4.7975 4.8775 5.0617 5.4340 6.5903 6.6353 6.7143 6.7881 7.1405 7.4494 7.9324 8.0279 8.9868 9.1447 9.5946 9.6268 10.0989 10.2585 10.6994 10.7027 12.0730 12.1722 13.7444 13.8982 14.0203 14.0526 k = 0.0000 0.0000 0.2720 ( 3076 PWs) bands (ev): -29.7081 -29.7081 -11.0203 -11.0179 -10.6647 -10.6619 -10.6154 -10.6152 -1.0204 -1.0053 3.4412 3.5618 3.9470 3.9918 4.7734 4.8647 5.0692 5.4460 6.5472 6.6039 6.7251 6.8130 7.1342 7.4340 7.9203 8.0172 8.9952 9.1356 9.5950 9.6670 10.0574 10.1886 10.6628 10.6828 12.1737 12.2805 13.6633 13.8180 14.1051 14.1273 k = 0.0000 0.0000 0.2902 ( 3076 PWs) bands (ev): -29.7080 -29.7080 -11.0209 -11.0183 -10.6651 -10.6621 -10.6166 -10.6164 -0.9769 -0.9609 3.3903 3.5087 3.9479 3.9967 4.7489 4.8523 5.0791 5.4586 6.5011 6.5712 6.7353 6.8368 7.1294 7.4191 7.9084 8.0072 8.9955 9.1202 9.5634 9.6877 10.0338 10.1210 10.6525 10.6901 12.2805 12.3934 13.5757 13.7358 14.1960 14.2126 k = 0.0000 0.0000 0.3083 ( 3084 PWs) bands (ev): -29.7079 -29.7079 -11.0215 -11.0188 -10.6656 -10.6624 -10.6179 -10.6177 -0.9308 -0.9139 3.3390 3.4546 3.9476 4.0005 4.7247 4.8404 5.0909 5.4716 6.4535 6.5377 6.7439 6.8588 7.1257 7.4045 7.8967 7.9977 8.9861 9.0986 9.5117 9.6875 10.0111 10.0554 10.6759 10.7268 12.3928 12.5105 13.4888 13.6570 14.2879 14.3017 k = 0.0000 0.0000 0.3264 ( 3084 PWs) bands (ev): -29.7077 -29.7077 -11.0221 -11.0193 -10.6660 -10.6627 -10.6192 -10.6189 -0.8821 -0.8644 3.2874 3.3998 3.9458 4.0028 4.7013 4.8293 5.1042 5.4853 6.4052 6.5037 6.7503 6.8784 7.1224 7.3904 7.8850 7.9887 8.9649 9.0711 9.4540 9.6684 9.9769 9.9922 10.7340 10.7914 12.5100 12.6311 13.4055 13.5829 14.3798 14.3920 k = 0.0000 0.0000 0.3446 ( 3080 PWs) bands (ev): -29.7076 -29.7076 -11.0227 -11.0198 -10.6664 -10.6630 -10.6205 -10.6202 -0.8308 -0.8123 3.2357 3.3446 3.9424 4.0032 4.6792 4.8191 5.1189 5.4996 6.3567 6.4696 6.7542 6.8951 7.1189 7.3766 7.8735 7.9802 8.9301 9.0384 9.4002 9.6339 9.9295 9.9323 10.8211 10.8792 12.6312 12.7541 13.3278 13.5146 14.4709 14.4824 k = 0.0000 0.0000 0.3627 ( 3072 PWs) bands (ev): -29.7075 -29.7075 -11.0233 -11.0203 -10.6668 -10.6633 -10.6219 -10.6215 -0.7769 -0.7576 3.1842 3.2893 3.9372 4.0015 4.6586 4.8098 5.1346 5.5145 6.3082 6.4358 6.7558 6.9082 7.1149 7.3632 7.8621 7.9723 8.8820 9.0017 9.3546 9.5874 9.8724 9.8768 10.9298 10.9854 12.7555 12.8771 13.2582 13.4529 14.5606 14.5719 k = 0.0000 0.0000 0.3808 ( 3076 PWs) bands (ev): -29.7074 -29.7074 -11.0240 -11.0208 -10.6673 -10.6637 -10.6233 -10.6229 -0.7206 -0.7006 3.1329 3.2342 3.9300 3.9971 4.6399 4.8014 5.1511 5.5299 6.2602 6.4025 6.7548 6.9173 7.1099 7.3501 7.8507 7.9648 8.8229 8.9621 9.3175 9.5314 9.8096 9.8269 11.0540 11.1058 12.8810 12.9916 13.2053 13.3993 14.6482 14.6597 k = 0.0000 0.0000 0.3990 ( 3072 PWs) bands (ev): -29.7073 -29.7072 -11.0246 -11.0214 -10.6677 -10.6640 -10.6246 -10.6242 -0.6618 -0.6411 3.0820 3.1794 3.9206 3.9900 4.6232 4.7939 5.1682 5.5459 6.2127 6.3701 6.7516 6.9218 7.1034 7.3373 7.8394 7.9577 8.7565 8.9211 9.2867 9.4680 9.7445 9.7825 11.1898 11.2374 13.0039 13.0523 13.2140 13.3574 14.7330 14.7449 k = 0.0000 0.0000 0.4171 ( 3080 PWs) bands (ev): -29.7071 -29.7071 -11.0253 -11.0220 -10.6682 -10.6644 -10.6261 -10.6256 -0.6006 -0.5792 3.0317 3.1251 3.9090 3.9797 4.6085 4.7871 5.1859 5.5624 6.1660 6.3387 6.7462 6.9212 7.0954 7.3247 7.8282 7.9510 8.6868 8.8800 9.2589 9.3990 9.6795 9.7433 11.3343 11.3778 13.0297 13.1117 13.3134 13.3390 14.8133 14.8263 k = 0.0000 0.0000 0.4352 ( 3078 PWs) bands (ev): -29.7070 -29.7070 -11.0259 -11.0225 -10.6686 -10.6647 -10.6275 -10.6270 -0.5371 -0.5150 2.9822 3.0716 3.8950 3.9662 4.5958 4.7808 5.2039 5.5793 6.1203 6.3088 6.7388 6.9152 7.0858 7.3125 7.8169 7.9448 8.6169 8.8399 9.2311 9.3259 9.6168 9.7082 11.4859 11.5256 12.9893 13.1696 13.3781 13.4371 14.8862 14.9023 k = 0.0000 0.0000 0.4534 ( 3074 PWs) bands (ev): -29.7069 -29.7069 -11.0266 -11.0231 -10.6690 -10.6650 -10.6289 -10.6283 -0.4712 -0.4486 2.9334 3.0189 3.8786 3.9493 4.5848 4.7748 5.2221 5.5965 6.0758 6.2806 6.7297 6.9036 7.0746 7.3005 7.8058 7.9389 8.5492 8.8019 9.2006 9.2502 9.5584 9.6761 11.6434 11.6795 12.9509 13.1727 13.4784 13.5639 14.9355 14.9631 k = 0.0000 0.0000 0.4715 ( 3072 PWs) bands (ev): -29.7067 -29.7067 -11.0272 -11.0237 -10.6694 -10.6654 -10.6303 -10.6297 -0.4031 -0.3799 2.8857 2.9672 3.8596 3.9291 4.5753 4.7687 5.2403 5.6137 6.0328 6.2543 6.7189 6.8862 7.0620 7.2887 7.7946 7.9334 8.4851 8.7666 9.1653 9.1730 9.5058 9.6461 11.8057 11.8387 12.9183 13.1603 13.5991 13.6881 14.9225 14.9419 k = 0.0000 0.0000 0.4896 ( 3072 PWs) bands (ev): -29.7066 -29.7066 -11.0278 -11.0243 -10.6698 -10.6657 -10.6316 -10.6311 -0.3328 -0.3091 2.8390 2.9167 3.8381 3.9055 4.5668 4.7621 5.2584 5.6308 5.9916 6.2303 6.7070 6.8634 7.0483 7.2773 7.7834 7.9282 8.4256 8.7344 9.0950 9.1242 9.4602 9.6174 11.9722 12.0025 12.8927 13.1482 13.7217 13.8056 14.8886 14.9217 k = 0.0000 0.0000 0.5078 ( 3066 PWs) bands (ev): -29.7065 -29.7065 -11.0284 -11.0249 -10.6701 -10.6661 -10.6330 -10.6324 -0.2603 -0.2362 2.7934 2.8674 3.8140 3.8786 4.5589 4.7547 5.2763 5.6474 5.9527 6.2088 6.6940 6.8354 7.0341 7.2662 7.7721 7.9234 8.3711 8.7057 9.0169 9.0771 9.4214 9.5894 12.1424 12.1704 12.8746 13.1408 13.8378 13.9114 14.8546 14.9067 k = 0.0000 0.0000 0.5259 ( 3066 PWs) bands (ev): -29.7064 -29.7064 -11.0291 -11.0255 -10.6705 -10.6664 -10.6343 -10.6337 -0.1857 -0.1612 2.7491 2.8194 3.7871 3.8485 4.5511 4.7460 5.2938 5.6627 5.9170 6.1900 6.6804 6.8030 7.0198 7.2554 7.7607 7.9189 8.3215 8.6803 8.9392 9.0250 9.3886 9.5615 12.3155 12.3419 12.8644 13.1394 13.9398 13.9991 14.8285 14.9023 k = 0.0000 0.0000 0.5440 ( 3068 PWs) bands (ev): -29.7062 -29.7062 -11.0297 -11.0261 -10.6708 -10.6668 -10.6357 -10.6350 -0.1091 -0.0842 2.7062 2.7729 3.7575 3.8152 4.5431 4.7357 5.3107 5.6758 5.8855 6.1743 6.6666 6.7669 7.0060 7.2450 7.7492 7.9148 8.2765 8.6582 8.8625 8.9695 9.3605 9.5335 12.4908 12.5166 12.8628 13.1446 14.0179 14.0613 14.8199 14.9146 k = 0.0000 0.0000 0.5622 ( 3064 PWs) bands (ev): -29.7061 -29.7061 -11.0302 -11.0267 -10.6711 -10.6671 -10.6370 -10.6363 -0.0305 -0.0053 2.6646 2.7278 3.7249 3.7787 4.5343 4.7233 5.3271 5.6851 5.8601 6.1617 6.6529 6.7282 6.9931 7.2350 7.7374 7.9109 8.2355 8.6388 8.7873 8.9121 9.3355 9.5049 12.6659 12.6942 12.8718 13.1566 14.0626 14.0927 14.8386 14.9474 k = 0.0000 0.0000 0.5803 ( 3060 PWs) bands (ev): -29.7060 -29.7060 -11.0308 -11.0273 -10.6714 -10.6674 -10.6382 -10.6375 0.0501 0.0754 2.6245 2.6843 3.6894 3.7390 4.5245 4.7088 5.3426 5.6882 5.8430 6.1525 6.6398 6.6879 6.9815 7.2253 7.7254 7.9074 8.1977 8.6209 8.7150 8.8545 9.3126 9.4757 12.8212 12.8742 12.9105 13.1755 14.0695 14.0927 14.8877 14.9974 k = 0.0000 0.0000 0.5984 ( 3062 PWs) bands (ev): -29.7059 -29.7059 -11.0313 -11.0279 -10.6717 -10.6678 -10.6394 -10.6388 0.1324 0.1579 2.5860 2.6425 3.6506 3.6961 4.5134 4.6918 5.3574 5.6837 5.8359 6.1466 6.6277 6.6468 6.9717 7.2161 7.7128 7.9043 8.1624 8.5988 8.6514 8.7979 9.2908 9.4455 12.8818 13.0534 13.0563 13.2013 14.0439 14.0665 14.9575 15.0512 k = 0.0000 0.0000 0.6166 ( 3066 PWs) bands (ev): -29.7057 -29.7057 -11.0319 -11.0285 -10.6720 -10.6681 -10.6406 -10.6400 0.2166 0.2422 2.5491 2.6024 3.6086 3.6498 4.5011 4.6724 5.3712 5.6727 5.8376 6.1441 6.6062 6.6170 6.9639 7.2073 7.6998 7.9014 8.1286 8.5523 8.6166 8.7433 9.2696 9.4143 12.9148 13.2321 13.2329 13.2419 13.9954 14.0208 15.0172 15.0891 k = 0.0000 0.0000 0.6347 ( 3066 PWs) bands (ev): -29.7056 -29.7056 -11.0324 -11.0291 -10.6722 -10.6685 -10.6418 -10.6411 0.3025 0.3280 2.5138 2.5640 3.5630 3.6000 4.4874 4.6506 5.3841 5.6579 5.8455 6.1448 6.5667 6.6080 6.9584 7.1990 7.6859 7.8988 8.0955 8.4890 8.6032 8.6918 9.2485 9.3820 12.9513 13.2728 13.4174 13.4256 13.9328 13.9621 15.0310 15.1041 k = 0.0000 0.0000 0.6528 ( 3070 PWs) bands (ev): -29.7055 -29.7055 -11.0329 -11.0297 -10.6724 -10.6688 -10.6429 -10.6422 0.3899 0.4155 2.4803 2.5273 3.5139 3.5467 4.4724 4.6268 5.3961 5.6420 5.8566 6.1484 6.5293 6.6012 6.9552 7.1912 7.6712 7.8965 8.0624 8.4246 8.5956 8.6441 9.2272 9.3486 12.9937 13.3185 13.6034 13.6115 13.8623 13.8953 15.0221 15.1051 k = 0.0000 0.0000 0.6710 ( 3062 PWs) bands (ev): -29.7054 -29.7054 -11.0333 -11.0302 -10.6726 -10.6691 -10.6439 -10.6433 0.4789 0.5043 2.4485 2.4925 3.4610 3.4898 4.4564 4.6013 5.4072 5.6265 5.8692 6.1544 6.4948 6.5966 6.9545 7.1839 7.6554 7.8944 8.0284 8.3622 8.5908 8.6011 9.2056 9.3141 13.0425 13.3703 13.7788 13.7841 13.8067 13.8297 15.0073 15.1002 k = 0.0000 0.0000 0.6891 ( 3062 PWs) bands (ev): -29.7053 -29.7053 -11.0337 -11.0307 -10.6727 -10.6694 -10.6449 -10.6443 0.5694 0.5945 2.4185 2.4596 3.4043 3.4291 4.4397 4.5746 5.4175 5.6122 5.8822 6.1621 6.4641 6.5946 6.9562 7.1771 7.6382 7.8925 7.9932 8.3029 8.5634 8.5882 9.1834 9.2784 13.0976 13.4280 13.7101 13.7468 13.9795 13.9857 14.9906 15.0926 k = 0.0000 0.0000 0.7072 ( 3050 PWs) bands (ev): -29.7052 -29.7052 -11.0341 -11.0312 -10.6729 -10.6697 -10.6458 -10.6452 0.6612 0.6860 2.3903 2.4286 3.3437 3.3646 4.4226 4.5471 5.4269 5.5995 5.8951 6.1705 6.4381 6.5952 6.9601 7.1709 7.6195 7.8905 7.9564 8.2472 8.5313 8.5872 9.1606 9.2418 13.1586 13.4913 13.6348 13.6727 14.1646 14.1707 14.9729 15.0839 k = 0.0000 0.0000 0.7254 ( 3050 PWs) bands (ev): -29.7051 -29.7051 -11.0344 -11.0317 -10.6730 -10.6700 -10.6466 -10.6461 0.7541 0.7786 2.3639 2.3995 3.2793 3.2965 4.4053 4.5194 5.4356 5.5884 5.9074 6.1781 6.4182 6.5983 6.9661 7.1651 7.5992 7.8876 7.9190 8.1956 8.5053 8.5879 9.1372 9.2042 13.2253 13.5576 13.5636 13.5993 14.3479 14.3537 14.9542 15.0745 k = 0.0000 0.0000 0.7435 ( 3042 PWs) bands (ev): -29.7050 -29.7050 -11.0347 -11.0322 -10.6731 -10.6702 -10.6474 -10.6469 0.8482 0.8722 2.3394 2.3723 3.2111 3.2249 4.3884 4.4921 5.4437 5.5788 5.9190 6.1830 6.4057 6.6040 6.9740 7.1598 7.5771 7.8707 7.8940 8.1486 8.4853 8.5899 9.1132 9.1658 13.2972 13.4903 13.5280 13.6338 14.5274 14.5328 14.9344 15.0647 k = 0.0000 0.0000 0.7616 ( 3042 PWs) bands (ev): -29.7050 -29.7049 -11.0350 -11.0326 -10.6732 -10.6705 -10.6482 -10.6477 0.9431 0.9665 2.3168 2.3470 3.1394 3.1499 4.3721 4.4656 5.4511 5.5706 5.9298 6.1836 6.4020 6.6118 6.9834 7.1548 7.5535 7.8313 7.8901 8.1063 8.4712 8.5933 9.0887 9.1269 13.3735 13.4234 13.4602 13.7119 14.7003 14.7054 14.9130 15.0543 k = 0.0000 0.0000 0.7798 ( 3040 PWs) bands (ev): -29.7049 -29.7049 -11.0353 -11.0331 -10.6732 -10.6708 -10.6489 -10.6484 1.0388 1.0615 2.2961 2.3238 3.0644 3.0718 4.3567 4.4402 5.4581 5.5634 5.9400 6.1793 6.4074 6.6214 6.9941 7.1501 7.5286 7.7885 7.8888 8.0690 8.4628 8.5979 9.0637 9.0876 13.3607 13.3931 13.4574 13.7942 14.8623 14.8665 14.8901 15.0429 k = 0.0000 0.0000 0.7979 ( 3048 PWs) bands (ev): -29.7048 -29.7048 -11.0355 -11.0335 -10.6733 -10.6710 -10.6495 -10.6491 1.1350 1.1568 2.2772 2.3024 2.9865 2.9910 4.3425 4.4164 5.4646 5.5571 5.9496 6.1704 6.4207 6.6323 7.0055 7.1454 7.5031 7.7449 7.8880 8.0364 8.4598 8.6036 9.0383 9.0484 13.3030 13.3340 13.5418 13.8801 14.8630 15.0053 15.0102 15.0304 k = 0.0000 0.0000 0.8161 ( 3044 PWs) bands (ev): -29.7048 -29.7048 -11.0357 -11.0339 -10.6733 -10.6713 -10.6501 -10.6497 1.2313 1.2523 2.2602 2.2830 2.9063 2.9080 4.3297 4.3943 5.4709 5.5515 5.9589 6.1584 6.4402 6.6438 7.0173 7.1408 7.4779 7.7011 7.8876 8.0084 8.4618 8.6102 9.0097 9.0128 13.2506 13.2790 13.6303 13.9690 14.8333 15.0153 15.1183 15.1221 k = 0.0000 0.0000 0.8342 ( 3048 PWs) bands (ev): -29.7047 -29.7047 -11.0358 -11.0342 -10.6733 -10.6715 -10.6506 -10.6502 1.3275 1.3473 2.2450 2.2654 2.8234 2.8242 4.3185 4.3742 5.4768 5.5464 5.9680 6.1445 6.4640 6.6552 7.0291 7.1360 7.4541 7.6580 7.8874 7.9846 8.4684 8.6172 8.9720 8.9873 13.2038 13.2292 13.7218 14.0604 14.7992 14.9977 15.1916 15.1942 k = 0.0000 0.0000 0.8523 ( 3048 PWs) bands (ev): -29.7047 -29.7047 -11.0360 -11.0346 -10.6733 -10.6717 -10.6510 -10.6507 1.4228 1.4414 2.2315 2.2496 2.7382 2.7413 4.3090 4.3561 5.4825 5.5416 5.9772 6.1296 6.4907 6.6653 7.0403 7.1308 7.4330 7.6161 7.8876 7.9647 8.4792 8.6242 8.9362 8.9621 13.1631 13.1852 13.8155 14.1535 14.7596 14.9760 15.2315 15.2330 k = 0.0000 0.0000 0.8705 ( 3042 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0348 -10.6732 -10.6719 -10.6513 -10.6511 1.5166 1.5336 2.2194 2.2353 2.6537 2.6588 4.3014 4.3401 5.4880 5.5370 5.9866 6.1143 6.5189 6.6732 7.0507 7.1253 7.4161 7.5760 7.8882 7.9481 8.4936 8.6303 8.9033 8.9375 13.1285 13.1472 13.9106 14.2474 14.7136 14.9489 15.2523 15.2531 k = 0.0000 0.0000 0.8886 ( 3036 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0351 -10.6731 -10.6721 -10.6516 -10.6514 1.6073 1.6225 2.2085 2.2222 2.5718 2.5785 4.2958 4.3264 5.4934 5.5324 5.9965 6.0990 6.5476 6.6777 7.0601 7.1192 7.4047 7.5384 7.8893 7.9345 8.5112 8.6342 8.8751 8.9139 13.1003 13.1154 14.0063 14.3412 14.6605 14.9148 15.2634 15.2640 k = 0.0000 0.0000 0.9067 ( 3040 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0353 -10.6731 -10.6723 -10.6519 -10.6517 1.6926 1.7055 2.1982 2.2094 2.4961 2.5036 4.2921 4.3149 5.4986 5.5279 6.0069 6.0840 6.5758 6.6778 7.0686 7.1127 7.3996 7.5038 7.8910 7.9233 8.5313 8.6338 8.8537 8.8918 13.0787 13.0901 14.1016 14.4336 14.5997 14.8722 15.2696 15.2701 k = 0.0000 0.0000 0.9249 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0356 -10.6730 -10.6725 -10.6520 -10.6519 1.7678 1.7776 2.1879 2.1962 2.4324 2.4395 4.2905 4.3056 5.5038 5.5233 6.0180 6.0695 6.6024 6.6728 7.0764 7.1057 7.4015 7.4730 7.8935 7.9142 8.5531 8.6275 8.8410 8.8719 13.0637 13.0714 14.1954 14.5221 14.5324 14.8202 15.2730 15.2734 k = 0.0000 0.0000 0.9430 ( 3036 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0357 -10.6729 -10.6726 -10.6521 -10.6520 1.8241 1.8296 2.1785 2.1830 2.3896 2.3941 4.2910 4.2985 5.5088 5.5186 6.0298 6.0556 6.6263 6.6623 7.0838 7.0985 7.4103 7.4467 7.8969 7.9070 8.5754 8.6147 8.8379 8.8553 13.0555 13.0593 14.2865 14.4555 14.6084 14.7583 15.2748 15.2751 k = 0.0000 0.0000 0.9611 ( 3040 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6727 -10.6727 -10.6521 -10.6521 1.8476 1.8476 2.1754 2.1754 2.3760 2.3760 4.2937 4.2937 5.5137 5.5137 6.0423 6.0423 6.6466 6.6466 7.0912 7.0912 7.4255 7.4255 7.9013 7.9013 8.5966 8.5966 8.8433 8.8433 13.0540 13.0540 14.3736 14.3736 14.6873 14.6873 15.2755 15.2755 k = 0.0000 0.0000 0.9611 ( 3040 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6727 -10.6727 -10.6521 -10.6521 1.8476 1.8476 2.1754 2.1754 2.3760 2.3760 4.2937 4.2937 5.5137 5.5137 6.0423 6.0423 6.6466 6.6466 7.0912 7.0912 7.4255 7.4255 7.9013 7.9013 8.5966 8.5966 8.8433 8.8433 13.0540 13.0540 14.3736 14.3736 14.6873 14.6873 15.2755 15.2755 k =-0.0093 0.0152 0.9611 ( 3040 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0357 -10.6729 -10.6726 -10.6521 -10.6521 1.8368 1.8399 2.1755 2.1862 2.3763 2.3779 4.2862 4.3099 5.4990 5.5285 6.0333 6.0506 6.6434 6.6475 7.0764 7.0952 7.4010 7.4549 7.8802 7.9234 8.5620 8.6423 8.8455 8.8487 13.0491 13.0567 14.3733 14.3756 14.6868 14.6883 15.2697 15.2774 k =-0.0186 0.0305 0.9611 ( 3032 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0356 -10.6730 -10.6725 -10.6519 -10.6519 1.8087 1.8156 2.1856 2.2059 2.3787 2.3819 4.2874 4.3345 5.4845 5.5431 6.0235 6.0581 6.6377 6.6460 7.0536 7.0857 7.3850 7.4855 7.8612 7.9455 8.5404 8.6969 8.8556 8.8617 13.0421 13.0571 14.3748 14.3791 14.6868 14.6901 15.2603 15.2751 k =-0.0278 0.0457 0.9611 ( 3036 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0354 -10.6731 -10.6724 -10.6518 -10.6517 1.7671 1.7785 2.2023 2.2310 2.3833 2.3880 4.2971 4.3671 5.4701 5.5573 6.0132 6.0648 6.6294 6.6420 7.0250 7.0624 7.3794 7.5150 7.8447 7.9664 8.5334 8.7582 8.8740 8.8822 13.0330 13.0553 14.3774 14.3833 14.6877 14.6932 15.2477 15.2682 k =-0.0371 0.0609 0.9611 ( 3036 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0352 -10.6732 -10.6723 -10.6516 -10.6515 1.7155 1.7318 2.2226 2.2586 2.3900 2.3963 4.3145 4.4070 5.4561 5.5709 6.0024 6.0705 6.6183 6.6352 6.9924 7.0283 7.3831 7.5419 7.8312 7.9856 8.5416 8.8227 8.9028 8.9099 13.0219 13.0512 14.3803 14.3872 14.6903 14.6985 15.2321 15.2568 k =-0.0464 0.0761 0.9611 ( 3034 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0350 -10.6733 -10.6722 -10.6513 -10.6512 1.6567 1.6780 2.2446 2.2868 2.3988 2.4065 4.3391 4.4533 5.4425 5.5835 5.9912 6.0753 6.6042 6.6248 6.9570 6.9882 7.3936 7.5653 7.8211 8.0037 8.5645 8.8828 8.9448 8.9480 13.0088 13.0448 14.3822 14.3894 14.6954 14.7067 15.2141 15.2409 k =-0.0557 0.0914 0.9611 ( 3040 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0348 -10.6734 -10.6721 -10.6510 -10.6508 1.5926 1.6185 2.2672 2.3147 2.4097 2.4187 4.3700 4.5050 5.4293 5.5948 5.9797 6.0790 6.5872 6.6097 6.9200 6.9470 7.4084 7.5849 7.8146 8.0224 8.6005 8.9329 8.9866 9.0142 12.9938 13.0360 14.3818 14.3888 14.7037 14.7182 15.1903 15.2122 k =-0.0649 0.1066 0.9611 ( 3042 PWs) bands (ev): -29.7047 -29.7047 -11.0359 -11.0346 -10.6735 -10.6720 -10.6505 -10.6504 1.5244 1.5547 2.2900 2.3420 2.4225 2.4326 4.4062 4.5611 5.4166 5.6042 5.9683 6.0814 6.5671 6.5886 6.8825 6.9090 7.4259 7.6003 7.8123 8.0438 8.6471 8.9793 9.0350 9.0936 12.9769 13.0249 14.3777 14.3844 14.7153 14.7319 15.1006 15.1074 k =-0.0742 0.1218 0.9611 ( 3046 PWs) bands (ev): -29.7047 -29.7047 -11.0358 -11.0343 -10.6736 -10.6719 -10.6501 -10.6499 1.4531 1.4873 2.3128 2.3686 2.4371 2.4481 4.4466 4.6206 5.4043 5.6113 5.9569 6.0825 6.5442 6.5602 6.8455 6.8775 7.4447 7.6115 7.8152 8.0700 8.7021 9.0278 9.0898 9.1796 12.9583 13.0114 14.3687 14.3756 14.7286 14.7441 14.9826 14.9880 k =-0.0835 0.1371 0.9611 ( 3042 PWs) bands (ev): -29.7048 -29.7048 -11.0356 -11.0340 -10.6737 -10.6717 -10.6495 -10.6493 1.3794 1.4170 2.3356 2.3946 2.4534 2.4651 4.4904 4.6822 5.3926 5.6156 5.9459 6.0822 6.5187 6.5245 6.8099 6.8542 7.4635 7.6187 7.8241 8.1026 8.7635 9.0800 9.1505 9.2698 12.9380 12.9957 14.3539 14.3622 14.7365 14.7400 14.8643 14.8671 k =-0.0928 0.1523 0.9611 ( 3044 PWs) bands (ev): -29.7049 -29.7049 -11.0355 -11.0337 -10.6737 -10.6716 -10.6489 -10.6487 1.3040 1.3446 2.3587 2.4202 2.4712 2.4833 4.5366 4.7450 5.3814 5.6166 5.9352 6.0802 6.4828 6.4914 6.7764 6.8392 7.4811 7.6224 7.8407 8.1425 8.8296 9.1362 9.2167 9.3630 12.9161 12.9778 14.3316 14.3439 14.6632 14.6881 14.7875 14.8099 k =-0.0928 0.1523 0.9611 ( 3044 PWs) bands (ev): -29.7049 -29.7049 -11.0355 -11.0337 -10.6737 -10.6716 -10.6489 -10.6487 1.3040 1.3446 2.3587 2.4202 2.4712 2.4833 4.5366 4.7450 5.3814 5.6166 5.9352 6.0802 6.4828 6.4914 6.7764 6.8392 7.4811 7.6224 7.8407 8.1425 8.8296 9.1362 9.2167 9.3630 12.9161 12.9778 14.3316 14.3439 14.6632 14.6881 14.7875 14.8099 k =-0.0993 0.1631 0.9485 ( 3052 PWs) bands (ev): -29.7049 -29.7049 -11.0354 -11.0335 -10.6738 -10.6715 -10.6485 -10.6482 1.2493 1.2916 2.3458 2.3972 2.5149 2.5390 4.5706 4.7898 5.3736 5.6155 5.9274 6.0777 6.4502 6.4700 6.7508 6.8389 7.4929 7.6238 7.8580 8.1747 8.8766 9.1806 9.2660 9.4322 12.9013 12.9654 14.2925 14.3360 14.5609 14.6043 14.7648 14.8135 k =-0.1059 0.1739 0.9359 ( 3046 PWs) bands (ev): -29.7050 -29.7050 -11.0352 -11.0332 -10.6738 -10.6715 -10.6479 -10.6476 1.1936 1.2370 2.3059 2.3520 2.5881 2.6190 4.6057 4.8349 5.3659 5.6131 5.9190 6.0740 6.4153 6.4470 6.7235 6.8496 7.5041 7.6252 7.8805 8.2094 8.9207 9.2301 9.3181 9.5050 12.8891 12.9551 14.2465 14.3079 14.4392 14.5079 14.7518 14.8147 k =-0.1125 0.1846 0.9232 ( 3046 PWs) bands (ev): -29.7050 -29.7050 -11.0350 -11.0329 -10.6739 -10.6714 -10.6473 -10.6469 1.1376 1.1819 2.2600 2.3041 2.6688 2.7031 4.6416 4.8800 5.3582 5.6097 5.9098 6.0687 6.3787 6.4247 6.6973 6.8665 7.5144 7.6272 7.9083 8.2461 8.9626 9.2827 9.3746 9.5801 12.8793 12.9468 14.1962 14.2507 14.3072 14.4164 14.7426 14.8059 k =-0.1190 0.1954 0.9106 ( 3048 PWs) bands (ev): -29.7051 -29.7051 -11.0348 -11.0326 -10.6740 -10.6714 -10.6466 -10.6461 1.0820 1.1270 2.2124 2.2556 2.7522 2.7887 4.6783 4.9246 5.3504 5.6053 5.8996 6.0616 6.3413 6.4049 6.6733 6.8870 7.5238 7.6300 7.9412 8.2844 9.0032 9.3362 9.4370 9.6563 12.8719 12.9402 14.1238 14.1577 14.1868 14.3454 14.7321 14.7897 k =-0.1256 0.2062 0.8980 ( 3045 PWs) bands (ev): -29.7052 -29.7051 -11.0346 -11.0323 -10.6740 -10.6715 -10.6459 -10.6453 1.0271 1.0726 2.1645 2.2070 2.8367 2.8749 4.7154 4.9686 5.3425 5.6000 5.8882 6.0532 6.3035 6.3891 6.6515 6.9098 7.5321 7.6341 7.9790 8.3239 9.0434 9.3894 9.5052 9.7329 12.8665 12.9347 14.0053 14.0154 14.1290 14.2907 14.7185 14.7690 k =-0.1322 0.2170 0.8854 ( 3041 PWs) bands (ev): -29.7052 -29.7052 -11.0343 -11.0320 -10.6741 -10.6715 -10.6450 -10.6443 0.9733 1.0191 2.1167 2.1586 2.9214 2.9609 4.7529 5.0117 5.3345 5.5939 5.8756 6.0439 6.2660 6.3777 6.6318 6.9337 7.5397 7.6398 8.0212 8.3642 9.0841 9.4422 9.5780 9.8092 12.8626 12.9294 13.8653 13.8664 14.0842 14.2433 14.7021 14.7458 k =-0.1387 0.2278 0.8727 ( 3045 PWs) bands (ev): -29.7053 -29.7053 -11.0341 -11.0317 -10.6743 -10.6717 -10.6441 -10.6433 0.9208 0.9668 2.0694 2.1109 3.0054 3.0461 4.7908 5.0535 5.3263 5.5870 5.8623 6.0345 6.2293 6.3708 6.6140 6.9579 7.5469 7.6472 8.0676 8.4050 9.1263 9.4951 9.6538 9.8843 12.8589 12.9225 13.7156 13.7201 14.0433 14.1993 14.6834 14.7214 k =-0.1453 0.2385 0.8601 ( 3046 PWs) bands (ev): -29.7054 -29.7054 -11.0339 -11.0314 -10.6744 -10.6718 -10.6432 -10.6422 0.8697 0.9158 2.0228 2.0639 3.0883 3.1300 4.8289 5.0939 5.3179 5.5794 5.8488 6.0257 6.1936 6.3680 6.5979 6.9818 7.5542 7.6566 8.1174 8.4459 9.1704 9.5485 9.7311 9.9576 12.8532 12.9107 13.5678 13.5772 14.0053 14.1578 14.6629 14.6966 k =-0.1519 0.2493 0.8475 ( 3048 PWs) bands (ev): -29.7055 -29.7055 -11.0336 -11.0311 -10.6746 -10.6720 -10.6422 -10.6411 0.8202 0.8665 1.9773 2.0178 3.1695 3.2121 4.8671 5.1324 5.3093 5.5711 5.8362 6.0180 6.1594 6.3686 6.5831 7.0047 7.5621 7.6681 8.1703 8.4865 9.2169 9.6028 9.8087 10.0282 12.8408 12.8875 13.4278 13.4471 13.9701 14.1188 14.6412 14.6721 k =-0.1584 0.2601 0.8349 ( 3052 PWs) bands (ev): -29.7056 -29.7055 -11.0333 -11.0308 -10.6747 -10.6722 -10.6411 -10.6399 0.7725 0.8188 1.9329 1.9729 3.2485 3.2917 4.9054 5.1685 5.3007 5.5626 5.8256 6.0116 6.1269 6.3722 6.5697 7.0262 7.5712 7.6817 8.2255 8.5265 9.2662 9.6581 9.8856 10.0952 12.8125 12.8428 13.3062 13.3419 13.9379 14.0822 14.6184 14.6481 k =-0.1650 0.2709 0.8222 ( 3052 PWs) bands (ev): -29.7056 -29.7056 -11.0330 -11.0305 -10.6749 -10.6724 -10.6400 -10.6387 0.7266 0.7729 1.8898 1.9292 3.3249 3.3686 4.9434 5.2012 5.2924 5.5547 5.8179 6.0066 6.0967 6.3781 6.5573 7.0457 7.5822 7.6975 8.2823 8.5655 9.3186 9.7147 9.9606 10.1578 12.7545 12.7674 13.2177 13.2729 13.9087 14.0481 14.5949 14.6250 k =-0.1716 0.2817 0.8096 ( 3050 PWs) bands (ev): -29.7057 -29.7057 -11.0327 -11.0302 -10.6751 -10.6727 -10.6388 -10.6375 0.6827 0.7289 1.8481 1.8870 3.3981 3.4421 4.9807 5.2291 5.2849 5.5491 5.8137 6.0026 6.0689 6.3860 6.5460 7.0627 7.5955 7.7157 8.3402 8.6032 9.3741 9.7723 10.0330 10.2148 12.6566 12.6657 13.1710 13.2401 13.8826 14.0167 14.5708 14.6027 k =-0.1782 0.2925 0.7970 ( 3050 PWs) bands (ev): -29.7058 -29.7058 -11.0324 -11.0299 -10.6753 -10.6729 -10.6376 -10.6362 0.6407 0.6869 1.8080 1.8463 3.4678 3.5118 5.0166 5.2502 5.2792 5.5480 5.8132 5.9995 6.0442 6.3954 6.5356 7.0771 7.6117 7.7363 8.3984 8.6393 9.4329 9.8310 10.1020 10.2651 12.5321 12.5443 13.1587 13.2336 13.8597 13.9878 14.5461 14.5811 k =-0.1847 0.3032 0.7844 ( 3050 PWs) bands (ev): -29.7059 -29.7059 -11.0321 -11.0296 -10.6755 -10.6732 -10.6364 -10.6349 0.6007 0.6468 1.7695 1.8072 3.5336 3.5774 5.0498 5.2617 5.2775 5.5536 5.8160 5.9961 6.0242 6.4061 6.5259 7.0885 7.6313 7.7594 8.4562 8.6737 9.4948 9.8903 10.1667 10.3071 12.3986 12.4111 13.1684 13.2434 13.8400 13.9611 14.5207 14.5601 k =-0.1913 0.3140 0.7717 ( 3056 PWs) bands (ev): -29.7060 -29.7060 -11.0319 -11.0294 -10.6757 -10.6735 -10.6352 -10.6337 0.5628 0.6089 1.7328 1.7699 3.5952 3.6387 5.0784 5.2641 5.2804 5.5670 5.8214 5.9896 6.0123 6.4179 6.5171 7.0969 7.6546 7.7853 8.5128 8.7061 9.5592 9.9498 10.2266 10.3395 12.2642 12.2754 13.1914 13.2634 13.8232 13.9363 14.4939 14.5394 k =-0.1979 0.3248 0.7591 ( 3054 PWs) bands (ev): -29.7061 -29.7060 -11.0316 -11.0292 -10.6760 -10.6738 -10.6339 -10.6325 0.5271 0.5730 1.6979 1.7344 3.6523 3.6953 5.0999 5.2609 5.2875 5.5877 5.8280 5.9799 6.0100 6.4305 6.5091 7.1021 7.6820 7.8140 8.5677 8.7364 9.6253 10.0085 10.2814 10.3606 12.1333 12.1445 13.2232 13.2898 13.8093 13.9124 14.4644 14.5181 k =-0.2044 0.3356 0.7465 ( 3054 PWs) bands (ev): -29.7061 -29.7061 -11.0313 -11.0290 -10.6762 -10.6741 -10.6327 -10.6313 0.4935 0.5393 1.6649 1.7009 3.7048 3.7472 5.1129 5.2516 5.3025 5.6135 5.8339 5.9727 6.0134 6.4438 6.5019 7.1044 7.7135 7.8458 8.6201 8.7644 9.6918 10.0653 10.3300 10.3699 12.0091 12.0233 13.2610 13.3198 13.7980 13.8879 14.4269 14.4821 k =-0.2110 0.3464 0.7339 ( 3052 PWs) bands (ev): -29.7062 -29.7062 -11.0310 -11.0288 -10.6764 -10.6744 -10.6315 -10.6301 0.4622 0.5078 1.6340 1.6694 3.7525 3.7943 5.1180 5.2378 5.3252 5.6420 5.8370 5.9707 6.0220 6.4573 6.4959 7.1039 7.7494 7.8807 8.6696 8.7902 9.7559 10.1186 10.3524 10.3872 11.8951 11.9149 13.3027 13.3507 13.7891 13.8603 14.3623 14.4170 k =-0.2176 0.3572 0.7212 ( 3053 PWs) bands (ev): -29.7063 -29.7063 -11.0307 -11.0286 -10.6766 -10.6747 -10.6303 -10.6290 0.4330 0.4786 1.6051 1.6399 3.7955 3.8368 5.1173 5.2215 5.3528 5.6710 5.8364 5.9731 6.0372 6.4695 6.4924 7.1008 7.7897 7.9191 8.7156 8.8136 9.8135 10.1672 10.3321 10.4305 11.7948 11.8211 13.3458 13.3791 13.7821 13.8270 14.2825 14.3669 k =-0.2241 0.3679 0.7086 ( 3055 PWs) bands (ev): -29.7064 -29.7063 -11.0304 -11.0285 -10.6768 -10.6750 -10.6292 -10.6279 0.4061 0.4516 1.5783 1.6126 3.8337 3.8748 5.1132 5.2041 5.3825 5.6986 5.8331 5.9772 6.0605 6.4746 6.4969 7.0954 7.8344 7.9609 8.7577 8.8345 9.8578 10.2096 10.2956 10.4785 11.7110 11.7426 13.3867 13.4005 13.7716 13.7929 14.2168 14.3172 k =-0.2307 0.3787 0.6960 ( 3054 PWs) bands (ev): -29.7064 -29.7064 -11.0302 -11.0284 -10.6770 -10.6753 -10.6282 -10.6269 0.3815 0.4269 1.5537 1.5874 3.8673 3.9085 5.1073 5.1865 5.4122 5.7229 5.8293 5.9813 6.0914 6.4723 6.5097 7.0879 7.8837 8.0062 8.7956 8.8529 9.8809 10.2143 10.2825 10.5307 11.6452 11.6793 13.4084 13.4183 13.7342 13.7881 14.1726 14.2715 k =-0.2373 0.3895 0.6834 ( 3060 PWs) bands (ev): -29.7065 -29.7065 -11.0300 -11.0283 -10.6772 -10.6756 -10.6272 -10.6260 0.3592 0.4044 1.5312 1.5645 3.8966 3.9382 5.1006 5.1695 5.4408 5.7418 5.8280 5.9849 6.1281 6.4683 6.5248 7.0788 7.9372 8.0550 8.8290 8.8688 9.8771 10.1519 10.3293 10.5868 11.5975 11.6294 13.3959 13.4276 13.7026 13.7989 14.1491 14.2364 k =-0.2438 0.4003 0.6707 ( 3064 PWs) bands (ev): -29.7065 -29.7065 -11.0297 -11.0282 -10.6774 -10.6758 -10.6263 -10.6252 0.3392 0.3843 1.5111 1.5440 3.9217 3.9640 5.0939 5.1534 5.4674 5.7528 5.8322 5.9880 6.1681 6.4641 6.5404 7.0682 7.9948 8.1071 8.8576 8.8820 9.8470 10.0717 10.3910 10.6457 11.5668 11.5908 13.3582 13.4038 13.7007 13.8200 14.1420 14.2162 k =-0.2504 0.4111 0.6581 ( 3062 PWs) bands (ev): -29.7066 -29.7066 -11.0295 -11.0281 -10.6775 -10.6760 -10.6254 -10.6244 0.3215 0.3665 1.4932 1.5257 3.9430 3.9861 5.0875 5.1385 5.4915 5.7555 5.8421 5.9907 6.2094 6.4599 6.5559 7.0565 8.0561 8.1621 8.8809 8.8924 9.7964 9.9838 10.4584 10.7059 11.5506 11.5607 13.2980 13.3553 13.7250 13.8487 14.1467 14.2116 k =-0.2570 0.4219 0.6455 ( 3058 PWs) bands (ev): -29.7066 -29.7066 -11.0293 -11.0281 -10.6777 -10.6762 -10.6246 -10.6238 0.3062 0.3511 1.4777 1.5098 3.9607 4.0049 5.0817 5.1252 5.5128 5.7530 5.8552 5.9931 6.2502 6.4559 6.5709 7.0443 8.1200 8.2193 8.8985 8.9000 9.7328 9.8932 10.5261 10.7660 11.5357 11.5469 13.2260 13.2953 13.7608 13.8810 14.1592 14.2212 k =-0.2635 0.4326 0.6329 ( 3062 PWs) bands (ev): -29.7067 -29.7066 -11.0291 -11.0281 -10.6778 -10.6764 -10.6240 -10.6232 0.2932 0.3380 1.4645 1.4963 3.9752 4.0204 5.0768 5.1134 5.5313 5.7481 5.8685 5.9953 6.2888 6.4517 6.5849 7.0319 8.1853 8.2774 8.9038 8.9106 9.6634 9.8043 10.5895 10.8251 11.5149 11.5511 13.1533 13.2310 13.7990 13.9127 14.1747 14.2423 k =-0.2701 0.4434 0.6202 ( 3058 PWs) bands (ev): -29.7067 -29.7067 -11.0289 -11.0281 -10.6779 -10.6765 -10.6234 -10.6228 0.2825 0.3273 1.4537 1.4852 3.9866 4.0329 5.0729 5.1035 5.5468 5.7426 5.8805 5.9972 6.3238 6.4473 6.5975 7.0201 8.2499 8.3345 8.9045 8.9158 9.5951 9.7217 10.6448 10.8819 11.4960 11.5608 13.0874 13.1678 13.8353 13.9404 14.1890 14.2692 k =-0.2767 0.4542 0.6076 ( 3060 PWs) bands (ev): -29.7067 -29.7067 -11.0288 -11.0281 -10.6780 -10.6767 -10.6229 -10.6225 0.2742 0.3190 1.4452 1.4766 3.9953 4.0424 5.0700 5.0954 5.5592 5.7374 5.8902 5.9988 6.3543 6.4422 6.6083 7.0096 8.3103 8.3876 8.9021 8.9147 9.5341 9.6500 10.6891 10.9340 11.4784 11.5727 13.0332 13.1107 13.8670 13.9618 14.1995 14.2877 k =-0.2832 0.4650 0.5950 ( 3058 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0281 -10.6780 -10.6767 -10.6226 -10.6222 0.2683 0.3130 1.4392 1.4704 4.0013 4.0491 5.0682 5.0893 5.5683 5.7331 5.8973 6.0000 6.3796 6.4360 6.6166 7.0013 8.3615 8.4322 8.8977 8.9085 9.4862 9.5940 10.7211 10.9776 11.4630 11.5838 12.9939 13.0644 13.8925 13.9759 14.2063 14.2910 k =-0.2898 0.4758 0.5823 ( 3058 PWs) bands (ev): -29.7067 -29.7067 -11.0286 -11.0281 -10.6780 -10.6768 -10.6223 -10.6221 0.2647 0.3094 1.4356 1.4667 4.0049 4.0532 5.0672 5.0855 5.5738 5.7304 5.9016 6.0008 6.3995 6.4280 6.6219 6.9958 8.3970 8.4628 8.8936 8.9007 9.4558 9.5582 10.7403 11.0072 11.4518 11.5916 12.9706 13.0336 13.9096 13.9831 14.2102 14.2888 k =-0.2964 0.4866 0.5697 ( 3058 PWs) bands (ev): -29.7068 -29.7067 -11.0286 -11.0282 -10.6780 -10.6768 -10.6223 -10.6221 0.2635 0.3082 1.4343 1.4654 4.0061 4.0545 5.0669 5.0842 5.5757 5.7294 5.9030 6.0011 6.4110 6.4204 6.6237 6.9940 8.4098 8.4738 8.8923 8.8967 9.4454 9.5459 10.7466 11.0179 11.4476 11.5943 12.9631 13.0228 13.9158 13.9851 14.2116 14.2874 k =-0.2964 0.4866 0.5697 ( 3058 PWs) bands (ev): -29.7068 -29.7067 -11.0286 -11.0282 -10.6780 -10.6768 -10.6223 -10.6221 0.2635 0.3082 1.4343 1.4654 4.0061 4.0545 5.0669 5.0842 5.5757 5.7294 5.9030 6.0011 6.4110 6.4204 6.6237 6.9940 8.4098 8.4738 8.8923 8.8967 9.4454 9.5459 10.7466 11.0179 11.4476 11.5943 12.9631 13.0228 13.9158 13.9851 14.2116 14.2874 k =-0.2898 0.4757 0.5571 ( 3062 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0284 -10.6782 -10.6772 -10.6224 -10.6223 0.3116 0.3541 1.3675 1.3948 4.0618 4.0979 5.0742 5.0911 5.6008 5.7138 5.9002 6.0082 6.4210 6.4296 6.6190 7.0013 8.4580 8.5058 8.7928 8.8167 9.4272 9.5227 10.6546 10.9233 11.3582 11.5071 12.9755 13.0279 13.9232 13.9940 14.2561 14.3388 k =-0.2832 0.4649 0.5444 ( 3063 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0286 -10.6783 -10.6775 -10.6225 -10.6224 0.3538 0.3925 1.3101 1.3321 4.1160 4.1379 5.0821 5.0997 5.6263 5.6979 5.8979 6.0169 6.4263 6.4413 6.6201 7.0102 8.5074 8.5279 8.7020 8.7351 9.4148 9.5079 10.5638 10.8290 11.2711 11.4216 12.9890 13.0343 13.9277 13.9989 14.3005 14.3874 k =-0.2766 0.4541 0.5317 ( 3067 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6784 -10.6778 -10.6226 -10.6225 0.3871 0.4201 1.2659 1.2805 4.1678 4.1738 5.0905 5.1096 5.6519 5.6816 5.8970 6.0269 6.4275 6.4555 6.6266 7.0204 8.5080 8.5574 8.6550 8.6554 9.4054 9.4990 10.4747 10.7353 11.1866 11.3379 13.0039 13.0422 13.9301 14.0013 14.3459 14.4346 k =-0.2700 0.4433 0.5191 ( 3057 PWs) bands (ev): -29.7066 -29.7066 -11.0289 -11.0287 -10.6783 -10.6780 -10.6226 -10.6226 0.4081 0.4332 1.2386 1.2437 4.2053 4.2167 5.0996 5.1204 5.6652 5.6771 5.8990 6.0384 6.4257 6.4717 6.6371 7.0319 8.4318 8.5722 8.6155 8.6683 9.3973 9.4944 10.3880 10.6425 11.1048 11.2563 13.0201 13.0517 13.9313 14.0024 14.3927 14.4814 k =-0.2634 0.4325 0.5064 ( 3063 PWs) bands (ev): -29.7066 -29.7066 -11.0290 -11.0287 -10.6782 -10.6781 -10.6227 -10.6226 0.4132 0.4289 1.2253 1.2313 4.2319 4.2618 5.1095 5.1314 5.6484 5.7008 5.9055 6.0514 6.4220 6.4897 6.6499 7.0441 8.3405 8.5033 8.6656 8.7017 9.3891 9.4928 10.3043 10.5509 11.0259 11.1768 13.0378 13.0628 13.9318 14.0026 14.4410 14.5281 k =-0.2569 0.4217 0.4938 ( 3063 PWs) bands (ev): -29.7066 -29.7066 -11.0290 -11.0286 -10.6782 -10.6781 -10.6227 -10.6226 0.4009 0.4069 1.2271 1.2445 4.2537 4.3025 5.1200 5.1420 5.6313 5.7211 5.9188 6.0661 6.4177 6.5092 6.6637 7.0568 8.2500 8.4386 8.7193 8.7407 9.3794 9.4930 10.2244 10.4608 10.9500 11.0996 13.0572 13.0757 13.9321 14.0028 14.4908 14.5748 k =-0.2503 0.4109 0.4811 ( 3067 PWs) bands (ev): -29.7066 -29.7066 -11.0291 -11.0284 -10.6783 -10.6779 -10.6228 -10.6226 0.3691 0.3717 1.2485 1.2763 4.2706 4.3385 5.1312 5.1512 5.6137 5.7366 5.9406 6.0827 6.4134 6.5301 6.6776 7.0694 8.1649 8.3817 8.7742 8.7818 9.3672 9.4944 10.1491 10.3725 10.8773 11.0249 13.0784 13.0906 13.9327 14.0033 14.5414 14.6213 k =-0.2437 0.4001 0.4684 ( 3065 PWs) bands (ev): -29.7066 -29.7066 -11.0290 -11.0282 -10.6782 -10.6775 -10.6227 -10.6225 0.3191 0.3285 1.2870 1.3232 4.2831 4.3693 5.1425 5.1586 5.5957 5.7467 5.9715 6.1013 6.4096 6.5521 6.6906 7.0814 8.0876 8.3340 8.8238 8.8297 9.3512 9.4961 10.0793 10.2864 10.8083 10.9527 13.1014 13.1076 13.9338 14.0044 14.5919 14.6664 k =-0.2371 0.3892 0.4558 ( 3069 PWs) bands (ev): -29.7066 -29.7066 -11.0289 -11.0280 -10.6781 -10.6772 -10.6227 -10.6224 0.2603 0.2747 1.3389 1.3819 4.2914 4.3948 5.1538 5.1635 5.5771 5.7518 6.0105 6.1220 6.4068 6.5750 6.7023 7.0918 8.0201 8.2964 8.8658 8.8855 9.3305 9.4973 10.0160 10.2029 10.7431 10.8834 13.1265 13.1269 13.9357 14.0065 14.6353 14.6850 k =-0.2305 0.3784 0.4431 ( 3071 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0277 -10.6779 -10.6767 -10.6227 -10.6223 0.1957 0.2137 1.4013 1.4495 4.2958 4.4149 5.1643 5.1658 5.5581 5.7531 6.0558 6.1448 6.4050 6.5985 6.7123 7.0999 7.9643 8.2697 8.9072 8.9415 9.3041 9.4972 9.9600 10.1227 10.6821 10.8172 13.1486 13.1539 13.9385 14.0096 14.6229 14.6634 k =-0.2239 0.3676 0.4305 ( 3063 PWs) bands (ev): -29.7067 -29.7067 -11.0286 -11.0274 -10.6776 -10.6762 -10.6226 -10.6222 0.1274 0.1478 1.4715 1.5239 4.2969 4.4299 5.1653 5.1735 5.5386 5.7514 6.1053 6.1697 6.4045 6.6224 6.7206 7.1047 7.9224 8.2545 8.9472 8.9972 9.2715 9.4945 9.9120 10.0468 10.6258 10.7543 13.1729 13.1835 13.9424 14.0140 14.5792 14.6141 k =-0.2173 0.3568 0.4178 ( 3061 PWs) bands (ev): -29.7067 -29.7067 -11.0284 -11.0270 -10.6772 -10.6757 -10.6224 -10.6220 0.0570 0.0789 1.5477 1.6035 4.2951 4.4400 5.1621 5.1808 5.5187 5.7474 6.1573 6.1964 6.4055 6.6461 6.7270 7.1055 7.8959 8.2510 8.9847 9.0521 9.2331 9.4878 9.8720 9.9764 10.5746 10.6952 13.1999 13.2157 13.9475 14.0198 14.5281 14.5593 k =-0.2108 0.3460 0.4051 ( 3055 PWs) bands (ev): -29.7067 -29.7067 -11.0281 -11.0266 -10.6768 -10.6750 -10.6223 -10.6218 -0.0145 0.0085 1.6288 1.6873 4.2906 4.4456 5.1564 5.1855 5.4984 5.7413 6.2103 6.2246 6.4081 6.6693 6.7318 7.1025 7.8860 8.2594 9.0177 9.1058 9.1905 9.4753 9.8396 9.9132 10.5290 10.6402 13.2299 13.2504 13.9539 14.0272 14.4710 14.4997 k =-0.2042 0.3352 0.3925 ( 3055 PWs) bands (ev): -29.7068 -29.7068 -11.0278 -11.0262 -10.6763 -10.6743 -10.6221 -10.6216 -0.0862 -0.0626 1.7135 1.7744 4.2839 4.4471 5.1485 5.1873 5.4780 5.7333 6.2542 6.2628 6.4126 6.6913 6.7352 7.0964 7.8929 8.2795 9.0408 9.1493 9.1577 9.4549 9.8139 9.8591 10.4897 10.5899 13.2628 13.2877 13.9615 14.0362 14.4073 14.4345 k =-0.1976 0.3244 0.3798 ( 3059 PWs) bands (ev): -29.7068 -29.7068 -11.0275 -11.0258 -10.6758 -10.6736 -10.6219 -10.6213 -0.1576 -0.1338 1.8014 1.8643 4.2752 4.4449 5.1385 5.1857 5.4575 5.7234 6.2844 6.3140 6.4192 6.7114 6.7375 7.0889 7.9162 8.3109 9.0361 9.1279 9.2068 9.4248 9.7938 9.8157 10.4571 10.5450 13.2989 13.3279 13.9704 14.0469 14.3349 14.3623 k =-0.1910 0.3136 0.3672 ( 3061 PWs) bands (ev): -29.7069 -29.7069 -11.0271 -11.0253 -10.6753 -10.6729 -10.6216 -10.6211 -0.2282 -0.2044 1.8917 1.9565 4.2649 4.4395 5.1269 5.1807 5.4371 5.7115 6.3148 6.3628 6.4282 6.7286 6.7390 7.0821 7.9544 8.3533 8.9954 9.1348 9.2521 9.3850 9.7782 9.7832 10.4320 10.5061 13.3383 13.3707 13.9801 14.0594 14.2516 14.2806 k =-0.1844 0.3027 0.3545 ( 3061 PWs) bands (ev): -29.7070 -29.7070 -11.0267 -11.0248 -10.6747 -10.6721 -10.6213 -10.6207 -0.2978 -0.2741 1.9840 2.0505 4.2531 4.4311 5.1140 5.1722 5.4170 5.6978 6.3446 6.4087 6.4403 6.7398 6.7422 7.0781 8.0060 8.4058 8.9412 9.1483 9.2910 9.3384 9.7604 9.7661 10.4148 10.4743 13.3808 13.4162 13.9898 14.0737 14.1560 14.1871 k =-0.1778 0.2919 0.3418 ( 3061 PWs) bands (ev): -29.7070 -29.7070 -11.0263 -11.0243 -10.6740 -10.6713 -10.6210 -10.6204 -0.3660 -0.3426 2.0781 2.1460 4.2400 4.4201 5.0999 5.1605 5.3973 5.6822 6.3731 6.4514 6.4557 6.7404 6.7518 7.0786 8.0689 8.4679 8.8836 9.1589 9.2762 9.3333 9.7449 9.7566 10.4060 10.4504 13.4265 13.4640 13.9901 14.0566 14.0769 14.0930 k =-0.1712 0.2811 0.3292 ( 3051 PWs) bands (ev): -29.7071 -29.7071 -11.0258 -11.0237 -10.6733 -10.6705 -10.6206 -10.6200 -0.4327 -0.4096 2.1734 2.2428 4.2259 4.4067 5.0849 5.1459 5.3781 5.6649 6.3996 6.4751 6.4907 6.7407 6.7574 7.0842 8.1407 8.5387 8.8263 9.1643 9.2180 9.3607 9.7343 9.7489 10.4058 10.4353 13.4751 13.5129 13.9077 13.9593 14.0288 14.1088 k =-0.1647 0.2703 0.3165 ( 3065 PWs) bands (ev): -29.7072 -29.7072 -11.0253 -11.0232 -10.6726 -10.6697 -10.6202 -10.6196 -0.4976 -0.4750 2.2698 2.3405 4.2109 4.3914 5.0694 5.1289 5.3595 5.6462 6.4240 6.4982 6.5267 6.7409 6.7598 7.0950 8.2184 8.6171 8.7724 9.1562 9.1640 9.3820 9.7269 9.7422 10.4140 10.4297 13.5253 13.5582 13.7846 13.8301 14.0372 14.1287 k =-0.1581 0.2595 0.3039 ( 3073 PWs) bands (ev): -29.7073 -29.7073 -11.0248 -11.0227 -10.6719 -10.6689 -10.6198 -10.6192 -0.5606 -0.5386 2.3669 2.4389 4.1951 4.3742 5.0535 5.1101 5.3414 5.6263 6.4469 6.5241 6.5594 6.7413 6.7597 7.1102 8.2967 8.7020 8.7264 9.0935 9.1580 9.3957 9.7212 9.7360 10.4306 10.4341 13.5608 13.5688 13.6967 13.7029 14.0463 14.1502 k =-0.1515 0.2487 0.2912 ( 3073 PWs) bands (ev): -29.7074 -29.7074 -11.0243 -11.0221 -10.6711 -10.6681 -10.6193 -10.6187 -0.6217 -0.6003 2.4645 2.5375 4.1787 4.3555 5.0374 5.0900 5.3240 5.6054 6.4691 6.5517 6.5890 6.7421 6.7583 7.1290 8.3646 8.6984 8.7909 9.0324 9.1469 9.4015 9.7164 9.7299 10.4482 10.4548 13.4513 13.5178 13.6682 13.7184 14.0504 14.1691 k =-0.1449 0.2379 0.2785 ( 3077 PWs) bands (ev): -29.7075 -29.7075 -11.0238 -11.0216 -10.6704 -10.6673 -10.6188 -10.6181 -0.6807 -0.6600 2.5621 2.6363 4.1618 4.3354 5.0215 5.0693 5.3071 5.5840 6.4913 6.5796 6.6159 6.7437 6.7562 7.1506 8.4025 8.7070 8.8728 8.9837 9.1315 9.3999 9.7120 9.7237 10.4716 10.4859 13.3075 13.3802 13.7202 13.7743 14.0444 14.1383 k =-0.1383 0.2271 0.2659 ( 3081 PWs) bands (ev): -29.7076 -29.7076 -11.0233 -11.0210 -10.6696 -10.6666 -10.6182 -10.6176 -0.7375 -0.7175 2.6595 2.7347 4.1445 4.3141 5.0057 5.0485 5.2908 5.5623 6.5138 6.6063 6.6404 6.7471 6.7536 7.1743 8.3993 8.7620 8.8770 9.0169 9.1129 9.3916 9.7080 9.7176 10.5033 10.5230 13.1579 13.2334 13.7830 13.8376 14.0255 14.0861 k =-0.1317 0.2162 0.2532 ( 3081 PWs) bands (ev): -29.7077 -29.7077 -11.0227 -11.0205 -10.6689 -10.6658 -10.6175 -10.6170 -0.7920 -0.7728 2.7565 2.8325 4.1270 4.2918 4.9905 5.0283 5.2751 5.5407 6.5368 6.6298 6.6626 6.7507 6.7541 7.1998 8.3697 8.8240 8.8466 9.0922 9.1103 9.3780 9.7050 9.7125 10.5420 10.5653 13.0075 13.0854 13.8490 13.9037 13.9965 14.0356 k =-0.1251 0.2054 0.2405 ( 3073 PWs) bands (ev): -29.7078 -29.7077 -11.0222 -11.0199 -10.6681 -10.6651 -10.6168 -10.6163 -0.8442 -0.8258 2.8525 2.9293 4.1093 4.2689 4.9760 5.0091 5.2600 5.5195 6.5603 6.6476 6.6830 6.7473 6.7670 7.2268 8.3294 8.7653 8.9405 9.0725 9.2089 9.3611 9.7044 9.7098 10.5865 10.6117 12.8586 12.9384 13.9104 13.9476 13.9856 13.9940 k =-0.1186 0.1946 0.2279 ( 3073 PWs) bands (ev): -29.7079 -29.7078 -11.0216 -11.0194 -10.6674 -10.6644 -10.6161 -10.6156 -0.8940 -0.8764 2.9473 3.0246 4.0917 4.2453 4.9623 4.9913 5.2456 5.4989 6.5842 6.6581 6.7018 6.7434 6.7874 7.2549 8.2860 8.7065 9.0091 9.0783 9.2935 9.3505 9.7103 9.7123 10.6355 10.6613 12.7125 12.7939 13.9129 13.9143 14.0134 14.0514 k =-0.1120 0.1838 0.2152 ( 3077 PWs) bands (ev): -29.7079 -29.7079 -11.0211 -11.0189 -10.6667 -10.6638 -10.6154 -10.6149 -0.9414 -0.9246 3.0405 3.1180 4.0741 4.2215 4.9496 4.9753 5.2318 5.4792 6.6081 6.6619 6.7187 6.7390 6.8149 7.2841 8.2426 8.6489 9.0026 9.1513 9.3013 9.3998 9.7250 9.7307 10.6879 10.7134 12.5706 12.6529 13.8699 13.8712 14.0826 14.1248 k =-0.1054 0.1730 0.2026 ( 3069 PWs) bands (ev): -29.7080 -29.7080 -11.0206 -11.0184 -10.6660 -10.6633 -10.6145 -10.6141 -0.9862 -0.9704 3.1316 3.2091 4.0568 4.1976 4.9383 4.9615 5.2187 5.4605 6.6314 6.6612 6.7269 6.7409 6.8478 7.3141 8.2008 8.5929 8.9791 9.2248 9.2776 9.4515 9.7547 9.7775 10.7429 10.7672 12.4339 12.5163 13.8232 13.8248 14.1588 14.1998 k =-0.0988 0.1622 0.1899 ( 3069 PWs) bands (ev): -29.7081 -29.7081 -11.0200 -11.0180 -10.6654 -10.6627 -10.6137 -10.6134 -1.0286 -1.0136 3.2201 3.2971 4.0399 4.1739 4.9283 4.9501 5.2064 5.4430 6.6481 6.6635 6.7204 6.7549 6.8844 7.3447 8.1618 8.5389 8.9534 9.2500 9.2764 9.4732 9.8084 9.8547 10.7994 10.8219 12.3033 12.3850 13.7742 13.7783 14.2375 14.2752 k =-0.0922 0.1514 0.1772 ( 3069 PWs) bands (ev): -29.7082 -29.7082 -11.0195 -11.0176 -10.6648 -10.6623 -10.6129 -10.6126 -1.0683 -1.0542 3.3057 3.3816 4.0235 4.1505 4.9199 4.9414 5.1951 5.4268 6.6450 6.6829 6.7104 6.7700 6.9238 7.3757 8.1261 8.4872 8.9273 9.2209 9.3021 9.4709 9.8873 9.9532 10.8569 10.8771 12.1799 12.2598 13.7247 13.7305 14.3172 14.3497 k =-0.0856 0.1406 0.1646 ( 3069 PWs) bands (ev): -29.7083 -29.7083 -11.0191 -11.0172 -10.6643 -10.6619 -10.6121 -10.6119 -1.1054 -1.0923 3.3878 3.4619 4.0077 4.1278 4.9132 4.9355 5.1847 5.4119 6.6364 6.6980 6.7054 6.7848 6.9655 7.4067 8.0944 8.4379 8.9015 9.1912 9.3060 9.4539 9.9862 10.0625 10.9149 10.9321 12.0643 12.1412 13.6747 13.6814 14.3971 14.4207 k =-0.0790 0.1297 0.1519 ( 3071 PWs) bands (ev): -29.7084 -29.7084 -11.0186 -11.0168 -10.6637 -10.6615 -10.6113 -10.6111 -1.1398 -1.1277 3.4659 3.5373 3.9926 4.1059 4.9083 4.9326 5.1756 5.3984 6.6259 6.6837 6.7277 6.7991 7.0091 7.4371 8.0672 8.3913 8.8764 9.1613 9.2947 9.4274 10.0977 10.1760 10.9727 10.9864 11.9574 12.0299 13.6241 13.6311 14.4756 14.4828 k =-0.0724 0.1189 0.1393 ( 3069 PWs) bands (ev): -29.7084 -29.7084 -11.0181 -11.0165 -10.6633 -10.6612 -10.6105 -10.6103 -1.1716 -1.1604 3.5396 3.6071 3.9784 4.0852 4.9053 4.9325 5.1679 5.3860 6.6141 6.6676 6.7492 6.8128 7.0542 7.4662 8.0449 8.3476 8.8522 9.1313 9.2736 9.3941 10.2159 10.2900 11.0302 11.0395 11.8597 11.9265 13.5730 13.5796 14.5317 14.5481 k =-0.0659 0.1081 0.1266 ( 3063 PWs) bands (ev): -29.7085 -29.7085 -11.0177 -11.0161 -10.6628 -10.6609 -10.6097 -10.6096 -1.2006 -1.1904 3.6084 3.6707 3.9652 4.0658 4.9041 4.9350 5.1620 5.3749 6.6014 6.6501 6.7697 6.8257 7.1005 7.4933 8.0282 8.3071 8.8290 9.1014 9.2463 9.3558 10.3364 10.4017 11.0870 11.0911 11.7718 11.8314 13.5212 13.5269 14.5705 14.6010 k =-0.0593 0.0973 0.1139 ( 3067 PWs) bands (ev): -29.7086 -29.7086 -11.0173 -11.0159 -10.6624 -10.6607 -10.6090 -10.6089 -1.2269 -1.2177 3.6719 3.7273 3.9532 4.0481 4.9047 4.9398 5.1582 5.3647 6.5881 6.6314 6.7890 6.8379 7.1476 7.5174 8.0175 8.2700 8.8071 9.0714 9.2156 9.3139 10.4559 10.5088 11.1405 11.1430 11.6939 11.7453 13.4691 13.4733 14.6024 14.6342 k =-0.0527 0.0865 0.1013 ( 3069 PWs) bands (ev): -29.7086 -29.7086 -11.0170 -11.0157 -10.6621 -10.6605 -10.6083 -10.6083 -1.2504 -1.2422 3.7298 3.7764 3.9423 4.0324 4.9069 4.9459 5.1572 5.3551 6.5746 6.6122 6.8070 6.8491 7.1950 7.5374 8.0130 8.2366 8.7867 9.0413 9.1836 9.2697 10.5717 10.6093 11.1873 11.1980 11.6263 11.6687 13.4167 13.4192 14.6279 14.6575 k =-0.0461 0.0757 0.0886 ( 3069 PWs) bands (ev): -29.7087 -29.7087 -11.0166 -11.0155 -10.6617 -10.6604 -10.6077 -10.6077 -1.2712 -1.2640 3.7817 3.8175 3.9327 4.0191 4.9107 4.9526 5.1595 5.3460 6.5613 6.5930 6.8235 6.8592 7.2422 7.5527 8.0147 8.2069 8.7682 9.0106 9.1519 9.2251 10.6811 10.7013 11.2308 11.2515 11.5691 11.6025 13.3648 13.3653 14.6466 14.6728 k =-0.0395 0.0649 0.0760 ( 3059 PWs) bands (ev): -29.7087 -29.7087 -11.0163 -11.0153 -10.6614 -10.6603 -10.6071 -10.6071 -1.2891 -1.2829 3.8277 3.8500 3.9244 4.0086 4.9158 4.9586 5.1655 5.3369 6.5484 6.5744 6.8384 6.8681 7.2885 7.5625 8.0219 8.1813 8.7522 8.9786 9.1221 9.1818 10.7811 10.7830 11.2697 11.3024 11.5225 11.5483 13.3127 13.3142 14.6586 14.6807 k =-0.0329 0.0541 0.0633 ( 3059 PWs) bands (ev): -29.7088 -29.7088 -11.0160 -11.0152 -10.6612 -10.6602 -10.6066 -10.6066 -1.3043 -1.2991 3.8676 3.8737 3.9176 4.0015 4.9218 4.9632 5.1755 5.3273 6.5366 6.5570 6.8516 6.8756 7.3333 7.5667 8.0333 8.1597 8.7396 8.9448 9.0957 9.1422 10.8533 10.8688 11.3014 11.3475 11.4879 11.5091 13.2629 13.2660 14.6645 14.6823 k =-0.0263 0.0432 0.0506 ( 3061 PWs) bands (ev): -29.7088 -29.7088 -11.0158 -11.0151 -10.6609 -10.6602 -10.6062 -10.6062 -1.3165 -1.3124 3.8890 3.9011 3.9125 3.9974 4.9285 4.9656 5.1890 5.3169 6.5261 6.5416 6.8629 6.8816 7.3758 7.5654 8.0473 8.1421 8.7317 8.9089 9.0736 9.1081 10.9119 10.9409 11.3221 11.3786 11.4707 11.4888 13.2176 13.2218 14.6660 14.6795 k =-0.0198 0.0324 0.0380 ( 3047 PWs) bands (ev): -29.7088 -29.7088 -11.0155 -11.0150 -10.6607 -10.6601 -10.6058 -10.6058 -1.3260 -1.3229 3.8973 3.9078 3.9299 3.9953 4.9355 4.9657 5.2053 5.3051 6.5176 6.5286 6.8722 6.8860 7.4152 7.5587 8.0619 8.1279 8.7298 8.8716 9.0566 9.0808 10.9591 10.9943 11.3307 11.3841 11.4786 11.4884 13.1792 13.1836 14.6649 14.6746 k =-0.0132 0.0216 0.0253 ( 3051 PWs) bands (ev): -29.7088 -29.7088 -11.0154 -11.0150 -10.6605 -10.6602 -10.6056 -10.6056 -1.3326 -1.3305 3.9010 3.9051 3.9522 3.9932 4.9425 4.9638 5.2233 5.2917 6.5116 6.5185 6.8795 6.8886 7.4508 7.5470 8.0756 8.1165 8.7355 8.8347 9.0453 9.0606 10.9957 11.0275 11.3339 11.3737 11.4982 11.4998 13.1499 13.1536 14.6631 14.6693 k =-0.0066 0.0108 0.0127 ( 3055 PWs) bands (ev): -29.7089 -29.7089 -11.0152 -11.0151 -10.6604 -10.6602 -10.6055 -10.6055 -1.3364 -1.3353 3.9023 3.9036 3.9692 3.9890 4.9492 4.9602 5.2418 5.2766 6.5084 6.5117 6.8848 6.8893 7.4821 7.5303 8.0875 8.1069 8.7493 8.8005 9.0398 9.0473 11.0222 11.0410 11.3390 11.3603 11.5120 11.5129 13.1319 13.1340 14.6620 14.6650 k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -29.7089 -29.7089 -11.0151 -11.0151 -10.6603 -10.6603 -10.6055 -10.6055 -1.3373 -1.3373 3.9028 3.9028 3.9813 3.9813 4.9552 4.9552 5.2598 5.2598 6.5084 6.5084 6.8881 6.8881 7.5086 7.5086 8.0976 8.0976 8.7714 8.7714 9.0404 9.0404 11.0380 11.0380 11.3481 11.3481 11.5176 11.5176 13.1265 13.1265 14.6625 14.6625 k = 0.0000 0.0000 0.0000 ( 3051 PWs) bands (ev): -29.7089 -29.7089 -11.0151 -11.0151 -10.6603 -10.6603 -10.6055 -10.6055 -1.3373 -1.3373 3.9028 3.9028 3.9813 3.9813 4.9552 4.9552 5.2598 5.2598 6.5084 6.5084 6.8881 6.8881 7.5086 7.5086 8.0976 8.0976 8.7714 8.7714 9.0404 9.0404 11.0380 11.0380 11.3481 11.3481 11.5176 11.5176 13.1265 13.1265 14.6625 14.6625 k = 0.0152 0.0092-0.0000 ( 3059 PWs) bands (ev): -29.7089 -29.7089 -11.0152 -11.0152 -10.6603 -10.6603 -10.6055 -10.6055 -1.3362 -1.3362 3.8994 3.8994 3.9809 3.9809 4.9550 4.9550 5.2604 5.2604 6.4991 6.4991 6.8881 6.8881 7.5233 7.5233 8.0990 8.0990 8.7681 8.7681 9.0371 9.0371 11.0417 11.0417 11.3491 11.3491 11.5220 11.5220 13.1270 13.1270 14.6618 14.6618 k = 0.0303 0.0185-0.0000 ( 3059 PWs) bands (ev): -29.7089 -29.7089 -11.0152 -11.0152 -10.6604 -10.6604 -10.6055 -10.6055 -1.3330 -1.3330 3.8891 3.8891 3.9796 3.9796 4.9545 4.9545 5.2623 5.2623 6.4731 6.4731 6.8883 6.8883 7.5656 7.5656 8.1033 8.1033 8.7583 8.7583 9.0272 9.0272 11.0524 11.0524 11.3520 11.3520 11.5352 11.5352 13.1284 13.1284 14.6596 14.6596 k = 0.0455 0.0277-0.0000 ( 3059 PWs) bands (ev): -29.7089 -29.7089 -11.0153 -11.0153 -10.6605 -10.6605 -10.6055 -10.6055 -1.3277 -1.3277 3.8720 3.8720 3.9775 3.9775 4.9538 4.9538 5.2654 5.2654 6.4342 6.4342 6.8886 6.8886 7.6312 7.6312 8.1104 8.1104 8.7423 8.7423 9.0109 9.0109 11.0695 11.0695 11.3575 11.3575 11.5570 11.5570 13.1308 13.1308 14.6560 14.6560 k = 0.0606 0.0369-0.0000 ( 3060 PWs) bands (ev): -29.7089 -29.7089 -11.0154 -11.0154 -10.6606 -10.6606 -10.6055 -10.6055 -1.3204 -1.3204 3.8482 3.8482 3.9746 3.9746 4.9529 4.9529 5.2698 5.2698 6.3872 6.3872 6.8889 6.8889 7.7153 7.7153 8.1202 8.1202 8.7206 8.7206 8.9887 8.9887 11.0921 11.0921 11.3662 11.3662 11.5868 11.5868 13.1342 13.1342 14.6509 14.6509 k = 0.0758 0.0461-0.0000 ( 3060 PWs) bands (ev): -29.7089 -29.7089 -11.0155 -11.0155 -10.6608 -10.6608 -10.6055 -10.6055 -1.3109 -1.3109 3.8179 3.8179 3.9709 3.9709 4.9520 4.9520 5.2754 5.2754 6.3359 6.3359 6.8894 6.8894 7.8133 7.8133 8.1327 8.1327 8.6938 8.6938 8.9611 8.9611 11.1186 11.1186 11.3792 11.3792 11.6241 11.6241 13.1385 13.1385 14.6446 14.6446 k = 0.0909 0.0554-0.0000 ( 3060 PWs) bands (ev): -29.7089 -29.7089 -11.0156 -11.0156 -10.6610 -10.6610 -10.6055 -10.6055 -1.2995 -1.2995 3.7814 3.7814 3.9665 3.9665 4.9512 4.9512 5.2822 5.2822 6.2833 6.2833 6.8900 6.8900 7.9216 7.9216 8.1476 8.1476 8.6630 8.6630 8.9286 8.9286 11.1471 11.1471 11.3982 11.3982 11.6682 11.6682 13.1439 13.1439 14.6369 14.6369 k = 0.1061 0.0646-0.0000 ( 3048 PWs) bands (ev): -29.7088 -29.7088 -11.0157 -11.0157 -10.6612 -10.6612 -10.6055 -10.6055 -1.2861 -1.2861 3.7390 3.7390 3.9614 3.9614 4.9507 4.9507 5.2901 5.2901 6.2312 6.2312 6.8907 6.8907 8.0369 8.0369 8.1649 8.1649 8.6292 8.6292 8.8921 8.8921 11.1756 11.1756 11.4246 11.4246 11.7185 11.7185 13.1502 13.1502 14.6280 14.6280 k = 0.1212 0.0738-0.0000 ( 3040 PWs) bands (ev): -29.7088 -29.7088 -11.0159 -11.0159 -10.6614 -10.6614 -10.6055 -10.6055 -1.2709 -1.2709 3.6910 3.6910 3.9557 3.9557 4.9505 4.9505 5.2992 5.2992 6.1810 6.1810 6.8915 6.8915 8.1558 8.1558 8.1844 8.1844 8.5947 8.5947 8.8520 8.8520 11.2025 11.2025 11.4598 11.4598 11.7741 11.7741 13.1576 13.1576 14.6179 14.6179 k = 0.1364 0.0831 0.0000 ( 3056 PWs) bands (ev): -29.7088 -29.7088 -11.0161 -11.0161 -10.6617 -10.6617 -10.6056 -10.6056 -1.2538 -1.2538 3.6381 3.6381 3.9494 3.9494 4.9508 4.9508 5.3093 5.3093 6.1335 6.1335 6.8924 6.8924 8.2058 8.2058 8.2716 8.2716 8.5649 8.5649 8.8091 8.8091 11.2274 11.2274 11.5040 11.5040 11.8343 11.8343 13.1660 13.1660 14.6066 14.6066 k = 0.1515 0.0923-0.0000 ( 3056 PWs) bands (ev): -29.7088 -29.7088 -11.0163 -11.0163 -10.6620 -10.6620 -10.6056 -10.6056 -1.2350 -1.2350 3.5807 3.5807 3.9426 3.9426 4.9516 4.9516 5.3205 5.3205 6.0890 6.0890 6.8934 6.8934 8.2287 8.2287 8.3629 8.3629 8.5608 8.5608 8.7642 8.7642 11.2507 11.2507 11.5565 11.5565 11.8983 11.8983 13.1754 13.1754 14.5941 14.6032 k = 0.1667 0.1015-0.0000 ( 3056 PWs) bands (ev): -29.7088 -29.7088 -11.0166 -11.0166 -10.6624 -10.6624 -10.6056 -10.6056 -1.2146 -1.2146 3.5194 3.5194 3.9353 3.9353 4.9529 4.9529 5.3326 5.3326 6.0479 6.0479 6.8945 6.8945 8.2530 8.2530 8.3856 8.3856 8.6256 8.6256 8.7179 8.7179 11.2737 11.2737 11.6158 11.6158 11.9653 11.9653 13.1859 13.1859 14.5592 14.5593 k = 0.1818 0.1108-0.0000 ( 3056 PWs) bands (ev): -29.7088 -29.7088 -11.0168 -11.0168 -10.6627 -10.6627 -10.6057 -10.6057 -1.1927 -1.1927 3.4550 3.4550 3.9277 3.9277 4.9546 4.9546 5.3456 5.3456 6.0101 6.0101 6.8957 6.8957 8.2778 8.2778 8.3592 8.3592 8.6712 8.6712 8.7392 8.7392 11.2980 11.2980 11.6805 11.6805 12.0345 12.0345 13.1975 13.1975 14.5000 14.5000 k = 0.1970 0.1200-0.0000 ( 3064 PWs) bands (ev): -29.7088 -29.7088 -11.0171 -11.0171 -10.6631 -10.6631 -10.6057 -10.6057 -1.1694 -1.1694 3.3880 3.3880 3.9199 3.9199 4.9568 4.9568 5.3595 5.3595 5.9756 5.9756 6.8969 6.8969 8.3025 8.3025 8.3182 8.3182 8.6251 8.6251 8.8663 8.8663 11.3249 11.3249 11.7491 11.7491 12.1051 12.1051 13.2102 13.2102 14.4438 14.4438 k = 0.2121 0.1292-0.0000 ( 3068 PWs) bands (ev): -29.7088 -29.7088 -11.0174 -11.0174 -10.6635 -10.6635 -10.6057 -10.6057 -1.1449 -1.1449 3.3190 3.3190 3.9118 3.9118 4.9594 4.9594 5.3740 5.3740 5.9444 5.9444 6.8982 6.8982 8.2726 8.2726 8.3253 8.3253 8.5815 8.5815 8.9963 8.9963 11.3558 11.3558 11.8206 11.8206 12.1762 12.1762 13.2239 13.2239 14.3910 14.3910 k = 0.2273 0.1384-0.0000 ( 3060 PWs) bands (ev): -29.7088 -29.7088 -11.0176 -11.0176 -10.6639 -10.6639 -10.6057 -10.6057 -1.1193 -1.1193 3.2489 3.2489 3.9035 3.9035 4.9622 4.9622 5.3892 5.3892 5.9164 5.9164 6.8995 6.8995 8.2252 8.2252 8.3432 8.3432 8.5437 8.5437 9.1253 9.1253 11.3921 11.3921 11.8939 11.8939 12.2471 12.2471 13.2387 13.2387 14.3422 14.3422 k = 0.2424 0.1477-0.0000 ( 3040 PWs) bands (ev): -29.7088 -29.7088 -11.0178 -11.0178 -10.6642 -10.6642 -10.6057 -10.6057 -1.0928 -1.0928 3.1781 3.1781 3.8953 3.8953 4.9652 4.9652 5.4050 5.4050 5.8913 5.8913 6.9009 6.9009 8.1773 8.1773 8.3497 8.3497 8.5181 8.5181 9.2511 9.2511 11.4348 11.4348 11.9679 11.9679 12.3169 12.3169 13.2546 13.2546 14.2978 14.2978 k = 0.2576 0.1569-0.0000 ( 3040 PWs) bands (ev): -29.7088 -29.7088 -11.0181 -11.0181 -10.6646 -10.6646 -10.6057 -10.6057 -1.0657 -1.0657 3.1073 3.1073 3.8870 3.8870 4.9683 4.9683 5.4211 5.4211 5.8692 5.8692 6.9023 6.9023 8.1297 8.1297 8.3381 8.3381 8.5116 8.5116 9.3721 9.3721 11.4852 11.4852 12.0420 12.0420 12.3847 12.3847 13.2715 13.2715 14.2582 14.2582 k = 0.2727 0.1661-0.0000 ( 3040 PWs) bands (ev): -29.7088 -29.7088 -11.0184 -11.0184 -10.6650 -10.6650 -10.6058 -10.6058 -1.0380 -1.0380 3.0372 3.0372 3.8789 3.8789 4.9713 4.9713 5.4375 5.4375 5.8497 5.8497 6.9038 6.9038 8.0828 8.0828 8.3102 8.3102 8.5226 8.5226 9.4866 9.4866 11.5441 11.5441 12.1153 12.1153 12.4496 12.4496 13.2894 13.2894 14.2238 14.2238 k = 0.2879 0.1754 0.0000 ( 3032 PWs) bands (ev): -29.7087 -29.7087 -11.0186 -11.0186 -10.6653 -10.6653 -10.6058 -10.6058 -1.0101 -1.0101 2.9682 2.9682 3.8709 3.8709 4.9743 4.9743 5.4540 5.4540 5.8327 5.8327 6.9052 6.9052 8.0371 8.0371 8.2737 8.2737 8.5432 8.5432 9.5934 9.5934 11.6125 11.6125 12.1870 12.1870 12.5108 12.5108 13.3082 13.3082 14.1949 14.1949 k = 0.3030 0.1846-0.0000 ( 3048 PWs) bands (ev): -29.7087 -29.7087 -11.0189 -11.0189 -10.6657 -10.6657 -10.6059 -10.6059 -0.9822 -0.9822 2.9009 2.9009 3.8631 3.8631 4.9771 4.9771 5.4705 5.4705 5.8182 5.8182 6.9066 6.9066 7.9930 7.9930 8.2341 8.2341 8.5680 8.5680 9.6914 9.6914 11.6905 11.6905 12.2565 12.2565 12.5675 12.5675 13.3279 13.3279 14.1719 14.1719 k = 0.3182 0.1938-0.0000 ( 3056 PWs) bands (ev): -29.7087 -29.7087 -11.0192 -11.0192 -10.6661 -10.6661 -10.6059 -10.6059 -0.9546 -0.9546 2.8359 2.8359 3.8556 3.8556 4.9796 4.9796 5.4868 5.4868 5.8058 5.8058 6.9080 6.9080 7.9507 7.9507 8.1941 8.1941 8.5943 8.5943 9.7800 9.7800 11.7783 11.7783 12.3232 12.3232 12.6191 12.6191 13.3484 13.3484 14.1549 14.1549 k = 0.3333 0.2030-0.0000 ( 3060 PWs) bands (ev): -29.7087 -29.7087 -11.0195 -11.0195 -10.6665 -10.6665 -10.6059 -10.6059 -0.9274 -0.9274 2.7737 2.7737 3.8485 3.8485 4.9819 4.9819 5.5027 5.5027 5.7955 5.7955 6.9093 6.9093 7.9106 7.9106 8.1549 8.1549 8.6209 8.6209 9.8587 9.8587 11.8750 11.8750 12.3868 12.3868 12.6650 12.6650 13.3695 13.3695 14.1440 14.1440 k = 0.3485 0.2123-0.0000 ( 3060 PWs) bands (ev): -29.7087 -29.7087 -11.0197 -11.0197 -10.6668 -10.6668 -10.6060 -10.6060 -0.9012 -0.9012 2.7148 2.7148 3.8419 3.8419 4.9838 4.9838 5.5182 5.5182 5.7871 5.7871 6.9106 6.9106 7.8729 7.8729 8.1175 8.1175 8.6469 8.6469 9.9276 9.9276 11.9792 11.9792 12.4471 12.4471 12.7050 12.7050 13.3912 13.3912 14.1390 14.1390 k = 0.3636 0.2215-0.0000 ( 3064 PWs) bands (ev): -29.7087 -29.7087 -11.0199 -11.0199 -10.6671 -10.6671 -10.6060 -10.6060 -0.8761 -0.8761 2.6597 2.6597 3.8357 3.8357 4.9854 4.9854 5.5329 5.5329 5.7804 5.7804 6.9118 6.9118 7.8378 7.8378 8.0823 8.0823 8.6717 8.6717 9.9871 9.9871 12.0886 12.0886 12.5048 12.5048 12.7390 12.7390 13.4130 13.4130 14.1396 14.1396 k = 0.3788 0.2307-0.0000 ( 3048 PWs) bands (ev): -29.7087 -29.7087 -11.0201 -11.0201 -10.6673 -10.6673 -10.6059 -10.6059 -0.8525 -0.8525 2.6089 2.6089 3.8300 3.8300 4.9868 4.9868 5.5467 5.5467 5.7751 5.7751 6.9129 6.9129 7.8057 7.8057 8.0498 8.0498 8.6949 8.6949 10.0377 10.0377 12.1992 12.1992 12.5613 12.5613 12.7673 12.7673 13.4348 13.4348 14.1452 14.1452 k = 0.3939 0.2400-0.0000 ( 3056 PWs) bands (ev): -29.7087 -29.7087 -11.0203 -11.0203 -10.6676 -10.6676 -10.6060 -10.6060 -0.8306 -0.8306 2.5628 2.5628 3.8249 3.8249 4.9878 4.9878 5.5594 5.5594 5.7711 5.7711 6.9139 6.9139 7.7768 7.7768 8.0203 8.0203 8.7161 8.7161 10.0801 10.0801 12.3055 12.3055 12.6195 12.6195 12.7903 12.7903 13.4561 13.4561 14.1546 14.1546 k = 0.4091 0.2492-0.0000 ( 3056 PWs) bands (ev): -29.7087 -29.7087 -11.0205 -11.0205 -10.6678 -10.6678 -10.6060 -10.6060 -0.8109 -0.8109 2.5218 2.5218 3.8203 3.8203 4.9886 4.9886 5.5709 5.5709 5.7681 5.7681 6.9148 6.9148 7.7512 7.7512 7.9942 7.9942 8.7351 8.7351 10.1151 10.1151 12.3996 12.3996 12.6843 12.6843 12.8086 12.8086 13.4764 13.4764 14.1666 14.1666 k = 0.4242 0.2584-0.0000 ( 3076 PWs) bands (ev): -29.7087 -29.7087 -11.0207 -11.0207 -10.6681 -10.6681 -10.6061 -10.6061 -0.7936 -0.7936 2.4864 2.4864 3.8165 3.8165 4.9891 4.9891 5.5809 5.5809 5.7660 5.7660 6.9156 6.9156 7.7292 7.7292 7.9716 7.9716 8.7516 8.7516 10.1434 10.1434 12.4740 12.4740 12.7594 12.7594 12.8227 12.8227 13.4951 13.4951 14.1796 14.1796 k = 0.4394 0.2677-0.0000 ( 3076 PWs) bands (ev): -29.7087 -29.7087 -11.0208 -11.0208 -10.6683 -10.6683 -10.6061 -10.6061 -0.7791 -0.7791 2.4569 2.4569 3.8132 3.8132 4.9895 4.9895 5.5894 5.5894 5.7645 5.7645 6.9163 6.9163 7.7109 7.7109 7.9528 7.9528 8.7654 8.7654 10.1656 10.1656 12.5266 12.5266 12.8333 12.8333 12.8423 12.8423 13.5117 13.5117 14.1921 14.1921 k = 0.4545 0.2769-0.0000 ( 3088 PWs) bands (ev): -29.7087 -29.7087 -11.0209 -11.0209 -10.6684 -10.6684 -10.6062 -10.6062 -0.7674 -0.7674 2.4336 2.4336 3.8107 3.8107 4.9897 4.9897 5.5961 5.5961 5.7636 5.7636 6.9168 6.9168 7.6965 7.6965 7.9380 7.9380 8.7763 8.7763 10.1824 10.1824 12.5615 12.5615 12.8408 12.8408 12.9237 12.9237 13.5254 13.5254 14.2025 14.2025 k = 0.4697 0.2861-0.0000 ( 3084 PWs) bands (ev): -29.7087 -29.7087 -11.0210 -11.0210 -10.6685 -10.6685 -10.6061 -10.6061 -0.7590 -0.7590 2.4168 2.4168 3.8089 3.8089 4.9899 4.9899 5.6010 5.6010 5.7630 5.7630 6.9172 6.9172 7.6862 7.6862 7.9273 7.9273 8.7842 8.7842 10.1941 10.1941 12.5834 12.5834 12.8459 12.8459 12.9922 12.9922 13.5358 13.5358 14.2100 14.2100 k = 0.4848 0.2953-0.0000 ( 3084 PWs) bands (ev): -29.7087 -29.7087 -11.0210 -11.0210 -10.6686 -10.6686 -10.6061 -10.6061 -0.7538 -0.7538 2.4066 2.4066 3.8078 3.8078 4.9900 4.9900 5.6040 5.6040 5.7627 5.7627 6.9174 6.9174 7.6799 7.6799 7.9209 7.9209 8.7889 8.7889 10.2009 10.2009 12.5955 12.5955 12.8488 12.8488 13.0380 13.0380 13.5422 13.5422 14.2142 14.2142 k = 0.5000 0.3046-0.0000 ( 3092 PWs) bands (ev): -29.7087 -29.7087 -11.0211 -11.0211 -10.6686 -10.6686 -10.6062 -10.6062 -0.7521 -0.7521 2.4032 2.4032 3.8074 3.8074 4.9900 4.9900 5.6050 5.6050 5.7626 5.7626 6.9175 6.9175 7.6779 7.6779 7.9187 7.9187 8.7905 8.7905 10.2032 10.2032 12.5994 12.5994 12.8498 12.8498 13.0541 13.0541 13.5444 13.5444 14.2155 14.2155 k = 0.5000 0.3046-0.0000 ( 3092 PWs) bands (ev): -29.7087 -29.7087 -11.0211 -11.0211 -10.6686 -10.6686 -10.6062 -10.6062 -0.7521 -0.7521 2.4032 2.4032 3.8074 3.8074 4.9900 4.9900 5.6050 5.6050 5.7626 5.7626 6.9175 6.9175 7.6779 7.6779 7.9187 7.9187 8.7905 8.7905 10.2032 10.2032 12.5994 12.5994 12.8498 12.8498 13.0541 13.0541 13.5444 13.5444 14.2155 14.2155 k = 0.4934 0.3154 0.0126 ( 3088 PWs) bands (ev): -29.7087 -29.7087 -11.0211 -11.0210 -10.6687 -10.6685 -10.6062 -10.6062 -0.7519 -0.7499 2.4036 2.4046 3.7998 3.8115 4.9839 4.9967 5.5890 5.6183 5.7515 5.7764 6.9135 6.9172 7.6589 7.6910 7.8950 7.9319 8.7900 8.8069 10.2008 10.2183 12.5769 12.6129 12.8381 12.8488 13.0478 13.0697 13.5462 13.5494 14.1852 14.2120 k = 0.4869 0.3261 0.0253 ( 3088 PWs) bands (ev): -29.7087 -29.7087 -11.0212 -11.0210 -10.6688 -10.6684 -10.6064 -10.6063 -0.7493 -0.7453 2.4057 2.4076 3.7888 3.8121 4.9785 5.0040 5.5702 5.6293 5.7433 5.7923 6.9058 6.9121 7.6336 7.6977 7.8649 7.9337 8.8062 8.8359 10.2113 10.2462 12.5440 12.6169 12.8133 12.8428 13.0523 13.0884 13.5542 13.5612 14.1321 14.1784 k = 0.4803 0.3369 0.0379 ( 3088 PWs) bands (ev): -29.7087 -29.7087 -11.0213 -11.0210 -10.6689 -10.6684 -10.6066 -10.6066 -0.7443 -0.7384 2.4095 2.4123 3.7744 3.8091 4.9737 5.0120 5.5488 5.6387 5.7380 5.8098 6.8950 6.9014 7.6012 7.6959 7.8344 7.9275 8.8367 8.8732 10.2348 10.2867 12.4993 12.6063 12.7854 12.8387 13.0633 13.1049 13.5671 13.5792 14.0662 14.1276 k = 0.4737 0.3477 0.0505 ( 3076 PWs) bands (ev): -29.7087 -29.7086 -11.0214 -11.0209 -10.6690 -10.6683 -10.6068 -10.6068 -0.7369 -0.7290 2.4147 2.4185 3.7567 3.8025 4.9697 5.0205 5.5253 5.6471 5.7352 5.8282 6.8815 6.8846 7.5615 7.6829 7.8082 7.9195 8.8773 8.9147 10.2716 10.3399 12.4425 12.5727 12.7682 12.8403 13.0760 13.1166 13.5834 13.6017 13.9935 14.0674 k = 0.4672 0.3585 0.0631 ( 3084 PWs) bands (ev): -29.7086 -29.7086 -11.0216 -11.0210 -10.6692 -10.6683 -10.6072 -10.6072 -0.7272 -0.7173 2.4214 2.4260 3.7359 3.7924 4.9663 5.0295 5.5002 5.6548 5.7348 5.8471 6.8613 6.8657 7.5160 7.6573 7.7887 7.9149 8.9232 8.9571 10.3218 10.4053 12.3746 12.5149 12.7665 12.8484 13.0872 13.1226 13.6005 13.6261 13.9183 14.0019 k = 0.4606 0.3693 0.0758 ( 3074 PWs) bands (ev): -29.7086 -29.7086 -11.0217 -11.0211 -10.6693 -10.6683 -10.6077 -10.6077 -0.7150 -0.7031 2.4291 2.4346 3.7122 3.7789 4.9636 5.0391 5.4743 5.6622 5.7362 5.8663 6.8313 6.8480 7.4671 7.6204 7.7760 7.9159 8.9705 8.9980 10.3854 10.4825 12.2970 12.4394 12.7757 12.8628 13.0956 13.1231 13.6149 13.6491 13.8451 13.9338 k = 0.4540 0.3800 0.0884 ( 3080 PWs) bands (ev): -29.7085 -29.7085 -11.0219 -11.0212 -10.6695 -10.6683 -10.6083 -10.6082 -0.7005 -0.6867 2.4376 2.4439 3.6860 3.7621 4.9616 5.0492 5.4481 5.6696 5.7393 5.8854 6.7949 6.8286 7.4175 7.5755 7.7692 7.9221 9.0161 9.0359 10.4616 10.5703 12.2109 12.3519 12.7911 12.8828 13.1006 13.1180 13.6197 13.6656 13.7807 13.8651 k = 0.4475 0.3908 0.1010 ( 3072 PWs) bands (ev): -29.7085 -29.7085 -11.0221 -11.0213 -10.6697 -10.6684 -10.6088 -10.6088 -0.6836 -0.6679 2.4465 2.4535 3.6575 3.7425 4.9604 5.0596 5.4221 5.6772 5.7438 5.9044 6.7528 6.8079 7.3689 7.5261 7.7676 7.9321 9.0580 9.0701 10.5495 10.6674 12.1172 12.2558 12.8097 12.9077 13.1022 13.1077 13.6027 13.6669 13.7358 13.7983 k = 0.4409 0.4016 0.1136 ( 3064 PWs) bands (ev): -29.7084 -29.7084 -11.0223 -11.0214 -10.6699 -10.6684 -10.6095 -10.6094 -0.6644 -0.6467 2.4551 2.4628 3.6274 3.7203 4.9599 5.0703 5.3971 5.6850 5.7496 5.9233 6.7059 6.7859 7.3223 7.4749 7.7702 7.9446 9.0954 9.1002 10.6474 10.7718 12.0168 12.1530 12.8291 12.9368 13.0925 13.1012 13.5599 13.6414 13.7097 13.7346 k = 0.4343 0.4124 0.1263 ( 3056 PWs) bands (ev): -29.7084 -29.7083 -11.0226 -11.0215 -10.6701 -10.6685 -10.6101 -10.6101 -0.6428 -0.6232 2.4628 2.4713 3.5964 3.6963 4.9601 5.0810 5.3735 5.6931 5.7564 5.9421 6.6556 6.7630 7.2779 7.4237 7.7767 7.9589 9.1262 9.1278 10.7532 10.8810 11.9106 12.0454 12.8465 12.9692 13.0733 13.0995 13.5052 13.5855 13.6710 13.6809 k = 0.4277 0.4232 0.1389 ( 3056 PWs) bands (ev): -29.7083 -29.7083 -11.0228 -11.0217 -10.6704 -10.6686 -10.6109 -10.6108 -0.6189 -0.5974 2.4688 2.4780 3.5653 3.6713 4.9610 5.0915 5.3520 5.7016 5.7641 5.9607 6.6032 6.7393 7.2354 7.3739 7.7864 7.9744 9.1484 9.1555 10.8643 10.9913 11.7994 11.9357 12.8580 13.0007 13.0541 13.1004 13.4478 13.5076 13.6068 13.6363 k = 0.4212 0.4340 0.1515 ( 3052 PWs) bands (ev): -29.7082 -29.7082 -11.0231 -11.0219 -10.6707 -10.6688 -10.6117 -10.6115 -0.5926 -0.5694 2.4719 2.4820 3.5353 3.6463 4.9626 5.1014 5.3331 5.7103 5.7727 5.9792 6.5500 6.7149 7.1947 7.3262 7.7991 7.9909 9.1672 9.1787 10.9769 11.0967 11.6845 11.8281 12.8595 13.0042 13.0625 13.1082 13.3890 13.4155 13.5468 13.5819 k = 0.4146 0.4447 0.1641 ( 3058 PWs) bands (ev): -29.7081 -29.7081 -11.0234 -11.0222 -10.6710 -10.6690 -10.6125 -10.6123 -0.5641 -0.5390 2.4711 2.4823 3.5077 3.6225 4.9649 5.1101 5.3176 5.7194 5.7819 5.9975 6.4972 6.6901 7.1553 7.2813 7.8144 8.0082 9.1827 9.1980 11.0853 11.1855 11.5690 11.7327 12.8487 12.9785 13.1004 13.1256 13.3160 13.3270 13.4933 13.5289 k = 0.4080 0.4555 0.1768 ( 3054 PWs) bands (ev): -29.7081 -29.7080 -11.0237 -11.0224 -10.6714 -10.6692 -10.6133 -10.6131 -0.5334 -0.5064 2.4649 2.4775 3.4840 3.6013 4.9678 5.1170 5.3063 5.7286 5.7918 6.0156 6.4457 6.6649 7.1170 7.2393 7.8321 8.0263 9.1955 9.2139 11.1754 11.2329 11.4638 11.6719 12.8269 12.9489 13.1382 13.1512 13.2194 13.2609 13.4468 13.4851 k = 0.4015 0.4663 0.1894 ( 3054 PWs) bands (ev): -29.7080 -29.7080 -11.0240 -11.0227 -10.6717 -10.6695 -10.6141 -10.6139 -0.5003 -0.4716 2.4522 2.4666 3.4655 3.5842 4.9713 5.1214 5.2998 5.7380 5.8022 6.0334 6.3964 6.6397 7.0795 7.2007 7.8520 8.0450 9.2057 9.2267 11.1958 11.2094 11.4162 11.6718 12.7977 12.9219 13.0903 13.1616 13.2103 13.2124 13.4076 13.4538 k = 0.3949 0.4771 0.2020 ( 3050 PWs) bands (ev): -29.7079 -29.7079 -11.0243 -11.0230 -10.6721 -10.6697 -10.6149 -10.6146 -0.4651 -0.4347 2.4317 2.4484 3.4537 3.5726 4.9754 5.1229 5.2986 5.7474 5.8129 6.0503 6.3504 6.6145 7.0426 7.1654 7.8740 8.0645 9.2136 9.2370 11.1105 11.1252 11.4578 11.7182 12.7646 12.9011 12.9876 13.0995 13.2394 13.2589 13.3767 13.4361 k = 0.3883 0.4879 0.2146 ( 3054 PWs) bands (ev): -29.7078 -29.7078 -11.0247 -11.0233 -10.6725 -10.6701 -10.6156 -10.6154 -0.4277 -0.3956 2.4027 2.4221 3.4496 3.5675 4.9799 5.1215 5.3025 5.7567 5.8239 6.0659 6.3087 6.5896 7.0064 7.1334 7.8980 8.0848 9.2194 9.2449 10.9873 11.0114 11.5158 11.7751 12.7291 12.8662 12.9067 13.0274 13.2824 13.3118 13.3567 13.4327 k = 0.3818 0.4987 0.2273 ( 3058 PWs) bands (ev): -29.7077 -29.7077 -11.0250 -11.0237 -10.6729 -10.6705 -10.6164 -10.6161 -0.3882 -0.3544 2.3649 2.3872 3.4536 3.5696 4.9849 5.1178 5.3110 5.7658 5.8349 6.0785 6.2732 6.5652 6.9707 7.1049 7.9238 8.1059 9.2233 9.2509 10.8538 10.8849 11.5585 11.8207 12.6897 12.7647 12.9058 12.9635 13.3294 13.3375 13.3782 13.4450 k = 0.3752 0.5094 0.2399 ( 3062 PWs) bands (ev): -29.7076 -29.7076 -11.0254 -11.0240 -10.6734 -10.6709 -10.6172 -10.6168 -0.3466 -0.3112 2.3186 2.3439 3.4659 3.5793 4.9903 5.1125 5.3231 5.7744 5.8459 6.0857 6.2467 6.5416 6.9356 7.0796 7.9514 8.1278 9.2253 9.2550 10.7162 10.7528 11.5775 11.8444 12.6408 12.6571 12.9170 12.9237 13.3438 13.3804 13.4363 13.4728 k = 0.3686 0.5202 0.2525 ( 3066 PWs) bands (ev): -29.7076 -29.7075 -11.0257 -11.0244 -10.6739 -10.6714 -10.6179 -10.6175 -0.3030 -0.2661 2.2643 2.2924 3.4859 3.5965 4.9960 5.1064 5.3380 5.7822 5.8566 6.0842 6.2327 6.5189 6.9012 7.0575 7.9807 8.1507 9.2254 9.2573 10.5767 10.6187 11.5717 11.8427 12.5494 12.5776 12.8922 12.9491 13.3677 13.4386 13.4983 13.5132 k = 0.3621 0.5310 0.2651 ( 3062 PWs) bands (ev): -29.7075 -29.7074 -11.0261 -11.0248 -10.6743 -10.6718 -10.6185 -10.6181 -0.2575 -0.2190 2.2030 2.2337 3.5132 3.6205 5.0019 5.1001 5.3550 5.7890 5.8669 6.0733 6.2320 6.4976 6.8676 7.0386 8.0117 8.1746 9.2234 9.2579 10.4368 10.4846 11.5434 11.8172 12.4423 12.5013 12.8848 12.9735 13.4148 13.5073 13.5618 13.5621 k = 0.3555 0.5418 0.2778 ( 3062 PWs) bands (ev): -29.7074 -29.7074 -11.0264 -11.0251 -10.6748 -10.6723 -10.6191 -10.6187 -0.2101 -0.1702 2.1357 2.1685 3.5468 3.6507 5.0080 5.0939 5.3737 5.7943 5.8765 6.0565 6.2415 6.4778 6.8348 7.0226 8.0443 8.1995 9.2191 9.2565 10.2976 10.3522 11.4968 11.7721 12.3362 12.4166 12.8868 12.9916 13.4849 13.5860 13.6149 13.6271 k = 0.3489 0.5526 0.2904 ( 3060 PWs) bands (ev): -29.7073 -29.7073 -11.0267 -11.0255 -10.6752 -10.6728 -10.6196 -10.6193 -0.1610 -0.1197 2.0635 2.0981 3.5860 3.6862 5.0143 5.0882 5.3935 5.7976 5.8851 6.0382 6.2570 6.4601 6.8031 7.0095 8.0786 8.2256 9.2121 9.2527 10.1603 10.2230 11.4360 11.7120 12.2312 12.3272 12.8928 13.0025 13.5719 13.6628 13.6776 13.6935 k = 0.3424 0.5634 0.3030 ( 3060 PWs) bands (ev): -29.7072 -29.7072 -11.0270 -11.0259 -10.6757 -10.6734 -10.6201 -10.6198 -0.1102 -0.0677 1.9875 2.0233 3.6298 3.7262 5.0206 5.0833 5.4143 5.7984 5.8926 6.0215 6.2757 6.4446 6.7727 6.9992 8.1145 8.2528 9.2014 9.2457 10.0265 10.0985 11.3648 11.6410 12.1275 12.2354 12.9000 13.0081 13.6658 13.7163 13.7626 13.7627 k = 0.3358 0.5741 0.3157 ( 3060 PWs) bands (ev): -29.7071 -29.7071 -11.0273 -11.0262 -10.6761 -10.6739 -10.6206 -10.6202 -0.0581 -0.0145 1.9087 1.9453 3.6775 3.7696 5.0270 5.0793 5.4358 5.7962 5.8987 6.0079 6.2962 6.4317 6.7437 6.9915 8.1521 8.2812 9.1859 9.2340 9.8980 9.9809 11.2859 11.5622 12.0252 12.1425 12.9076 13.0108 13.7533 13.7632 13.8389 13.8458 k = 0.3292 0.5849 0.3283 ( 3056 PWs) bands (ev): -29.7071 -29.7070 -11.0276 -11.0266 -10.6765 -10.6744 -10.6210 -10.6206 -0.0048 0.0398 1.8280 1.8650 3.7283 3.8157 5.0335 5.0763 5.4579 5.7909 5.9033 5.9983 6.3176 6.4217 6.7164 6.9864 8.1912 8.3108 9.1638 9.2152 9.7781 9.8724 11.2017 11.4779 11.9244 12.0493 12.9154 13.0121 13.8041 13.8234 13.9224 13.9249 k = 0.3227 0.5957 0.3409 ( 3056 PWs) bands (ev): -29.7070 -29.7070 -11.0278 -11.0269 -10.6769 -10.6749 -10.6213 -10.6210 0.0493 0.0947 1.7465 1.7834 3.7816 3.8636 5.0399 5.0747 5.4806 5.7825 5.9062 5.9927 6.3390 6.4149 6.6913 6.9836 8.2319 8.3416 9.1329 9.1851 9.6712 9.7758 11.1137 11.3896 11.8253 11.9564 12.9235 13.0130 13.8384 13.8771 13.9924 14.0128 k = 0.3161 0.6065 0.3535 ( 3058 PWs) bands (ev): -29.7069 -29.7069 -11.0281 -11.0273 -10.6772 -10.6754 -10.6216 -10.6213 0.1039 0.1499 1.6651 1.7015 3.8367 3.9123 5.0465 5.0745 5.5037 5.7715 5.9074 5.9908 6.3599 6.4113 6.6688 6.9831 8.2741 8.3735 9.0910 9.1387 9.5831 9.6941 11.0233 11.2986 11.7279 11.8642 12.9322 13.0142 13.8663 13.9184 14.0562 14.0947 k = 0.3095 0.6173 0.3662 ( 3056 PWs) bands (ev): -29.7069 -29.7068 -11.0282 -11.0276 -10.6775 -10.6759 -10.6219 -10.6216 0.1584 0.2045 1.5850 1.6204 3.8929 3.9609 5.0531 5.0760 5.5272 5.7586 5.9071 5.9920 6.3795 6.4111 6.6495 6.9847 8.3179 8.4064 9.0369 9.0723 9.5176 9.6290 10.9315 11.2059 11.6324 11.7729 12.9416 13.0161 13.8881 13.9492 14.1137 14.1674 k = 0.3029 0.6281 0.3788 ( 3060 PWs) bands (ev): -29.7068 -29.7068 -11.0284 -11.0279 -10.6778 -10.6764 -10.6221 -10.6219 0.2120 0.2578 1.5075 1.5412 3.9496 4.0086 5.0599 5.0792 5.5512 5.7444 5.9055 5.9955 6.3969 6.4142 6.6342 6.9884 8.3631 8.4401 8.9712 8.9880 9.4736 9.5803 10.8390 11.1121 11.5389 11.6829 12.9519 13.0189 13.9044 13.9708 14.1649 14.2311 k = 0.2964 0.6388 0.3914 ( 3058 PWs) bands (ev): -29.7068 -29.7067 -11.0286 -11.0282 -10.6780 -10.6768 -10.6223 -10.6221 0.2635 0.3082 1.4343 1.4654 4.0061 4.0545 5.0669 5.0842 5.5757 5.7294 5.9030 6.0011 6.4110 6.4204 6.6237 6.9940 8.4098 8.4738 8.8923 8.8967 9.4454 9.5459 10.7466 11.0179 11.4476 11.5943 12.9631 13.0228 13.9158 13.9851 14.2116 14.2874 k = 0.2964 0.6388 0.3914 ( 3058 PWs) bands (ev): -29.7068 -29.7067 -11.0286 -11.0282 -10.6780 -10.6768 -10.6223 -10.6221 0.2635 0.3082 1.4343 1.4654 4.0061 4.0545 5.0669 5.0842 5.5757 5.7294 5.9030 6.0011 6.4110 6.4204 6.6237 6.9940 8.4098 8.4738 8.8923 8.8967 9.4454 9.5459 10.7466 11.0179 11.4476 11.5943 12.9631 13.0228 13.9158 13.9851 14.2116 14.2874 k = 0.2799 0.6346 0.3964 ( 3065 PWs) bands (ev): -29.7067 -29.7067 -11.0286 -11.0283 -10.6781 -10.6770 -10.6223 -10.6222 0.2821 0.3260 1.4078 1.4376 4.0286 4.0725 5.0699 5.0869 5.5860 5.7239 5.9017 6.0039 6.4154 6.4236 6.6222 6.9977 8.4293 8.4877 8.8445 8.8601 9.4423 9.5381 10.7130 10.9817 11.4120 11.5593 12.9680 13.0247 13.9073 13.9779 14.2164 14.2956 k = 0.2634 0.6304 0.4013 ( 3060 PWs) bands (ev): -29.7067 -29.7067 -11.0286 -11.0283 -10.6782 -10.6771 -10.6224 -10.6222 0.2987 0.3415 1.3834 1.4119 4.0519 4.0911 5.0734 5.0901 5.5977 5.7196 5.8999 6.0072 6.4194 6.4271 6.6234 7.0040 8.4504 8.5025 8.7806 8.8115 9.4497 9.5372 10.6840 10.9475 11.3765 11.5233 12.9735 13.0271 13.8797 13.9517 14.1965 14.2780 k = 0.2470 0.6262 0.4063 ( 3059 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0284 -10.6782 -10.6772 -10.6224 -10.6223 0.3132 0.3547 1.3611 1.3881 4.0756 4.1102 5.0773 5.0936 5.6109 5.7168 5.8978 6.0107 6.4239 6.4310 6.6267 7.0125 8.4726 8.5161 8.7053 8.7521 9.4657 9.5428 10.6594 10.9153 11.3412 11.4867 12.9800 13.0302 13.8405 13.9137 14.1565 14.2381 k = 0.2305 0.6219 0.4112 ( 3060 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0285 -10.6782 -10.6773 -10.6224 -10.6223 0.3259 0.3658 1.3408 1.3663 4.0994 4.1294 5.0815 5.0974 5.6258 5.7157 5.8955 6.0144 6.4296 6.4353 6.6312 7.0232 8.4954 8.5191 8.6312 8.6838 9.4878 9.5540 10.6385 10.8849 11.3066 11.4497 12.9876 13.0344 13.7955 13.8696 14.1028 14.1827 k = 0.2141 0.6177 0.4162 ( 3064 PWs) bands (ev): -29.7067 -29.7067 -11.0287 -11.0285 -10.6783 -10.6774 -10.6225 -10.6224 0.3368 0.3749 1.3225 1.3464 4.1228 4.1484 5.0857 5.1012 5.6425 5.7164 5.8933 6.0181 6.4376 6.4402 6.6365 7.0361 8.4740 8.5162 8.5982 8.6108 9.5142 9.5696 10.6208 10.8563 11.2729 11.4127 12.9964 13.0396 13.7482 13.8228 14.0411 14.1180 k = 0.1976 0.6135 0.4211 ( 3067 PWs) bands (ev): -29.7067 -29.7067 -11.0288 -11.0286 -10.6783 -10.6775 -10.6225 -10.6224 0.3462 0.3821 1.3061 1.3284 4.1457 4.1669 5.0901 5.1049 5.6608 5.7189 5.8913 6.0216 6.4458 6.4486 6.6420 7.0510 8.3828 8.5049 8.5645 8.6063 9.5432 9.5887 10.6059 10.8291 11.2405 11.3759 13.0067 13.0459 13.7006 13.7754 13.9761 14.0489 k = 0.1811 0.6092 0.4261 ( 3065 PWs) bands (ev): -29.7067 -29.7066 -11.0288 -11.0286 -10.6783 -10.6776 -10.6225 -10.6225 0.3541 0.3877 1.2916 1.3121 4.1675 4.1848 5.0943 5.1083 5.6805 5.7230 5.8897 6.0247 6.4522 6.4634 6.6474 7.0680 8.2783 8.4282 8.5797 8.6241 9.5737 9.6100 10.5933 10.8031 11.2097 11.3396 13.0184 13.0535 13.6536 13.7286 13.9111 13.9787 k = 0.1647 0.6050 0.4310 ( 3062 PWs) bands (ev): -29.7066 -29.7066 -11.0287 -11.0286 -10.6783 -10.6777 -10.6226 -10.6225 0.3607 0.3918 1.2788 1.2974 4.1880 4.2017 5.0983 5.1115 5.7011 5.7285 5.8890 6.0274 6.4596 6.4827 6.6523 7.0870 8.1690 8.3402 8.6033 8.6443 9.6047 9.6328 10.5827 10.7781 11.1808 11.3042 13.0315 13.0623 13.6078 13.6829 13.8485 13.9098 k = 0.1482 0.6008 0.4360 ( 3061 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0287 -10.6783 -10.6777 -10.6226 -10.6225 0.3663 0.3946 1.2676 1.2844 4.2070 4.2175 5.1021 5.1142 5.7217 5.7350 5.8896 6.0294 6.4681 6.5070 6.6569 7.1082 8.0578 8.2494 8.6277 8.6649 9.6353 9.6562 10.5740 10.7540 11.1542 11.2699 13.0462 13.0722 13.5632 13.6386 13.7902 13.8441 k = 0.1317 0.5965 0.4409 ( 3065 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0287 -10.6783 -10.6778 -10.6226 -10.6225 0.3709 0.3964 1.2580 1.2729 4.2243 4.2320 5.1056 5.1165 5.7415 5.7422 5.8920 6.0305 6.4778 6.5359 6.6617 7.1314 7.9463 8.1580 8.6515 8.6851 9.6649 9.6796 10.5671 10.7307 11.1302 11.2370 13.0625 13.0833 13.5200 13.5955 13.7374 13.7831 k = 0.1153 0.5923 0.4459 ( 3068 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0287 -10.6783 -10.6778 -10.6226 -10.6226 0.3747 0.3973 1.2498 1.2629 4.2396 4.2451 5.1087 5.1184 5.7497 5.7591 5.8970 6.0306 6.4888 6.5680 6.6685 7.1567 7.8360 8.0671 8.6743 8.7040 9.6928 9.7023 10.5619 10.7082 11.1091 11.2059 13.0801 13.0954 13.4782 13.5533 13.6911 13.7283 k = 0.0988 0.5881 0.4508 ( 3066 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0287 -10.6782 -10.6779 -10.6226 -10.6226 0.3779 0.3974 1.2430 1.2542 4.2530 4.2566 5.1114 5.1198 5.7572 5.7734 5.9052 6.0294 6.5010 6.5974 6.6833 7.1834 7.7287 7.9778 8.6954 8.7213 9.7184 9.7237 10.5586 10.6865 11.0913 11.1769 13.0992 13.1086 13.4381 13.5116 13.6518 13.6808 k = 0.0823 0.5839 0.4558 ( 3066 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0287 -10.6782 -10.6779 -10.6226 -10.6226 0.3807 0.3970 1.2375 1.2469 4.2642 4.2665 5.1137 5.1208 5.7644 5.7836 5.9165 6.0269 6.5143 6.6147 6.7154 7.2101 7.6270 7.8911 8.7145 8.7364 9.7410 9.7432 10.5572 10.6658 11.0769 11.1503 13.1196 13.1228 13.4001 13.4704 13.6196 13.6412 k = 0.0659 0.5796 0.4608 ( 3070 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6782 -10.6780 -10.6226 -10.6226 0.3831 0.3962 1.2333 1.2407 4.2734 4.2747 5.1158 5.1214 5.7711 5.7900 5.9304 6.0227 6.5285 6.6188 6.7657 7.2319 7.5369 7.8078 8.7312 8.7490 9.7600 9.7603 10.5579 10.6463 11.0664 11.1265 13.1379 13.1411 13.3650 13.4299 13.5941 13.6097 k = 0.0494 0.5754 0.4657 ( 3065 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6782 -10.6780 -10.6226 -10.6226 0.3852 0.3951 1.2303 1.2358 4.2805 4.2812 5.1174 5.1217 5.7772 5.7931 5.9456 6.0169 6.5433 6.6157 6.8279 7.2353 7.4731 7.7289 8.7451 8.7587 9.7744 9.7752 10.5610 10.6282 11.0598 11.1057 13.1539 13.1629 13.3341 13.3911 13.5751 13.5858 k = 0.0329 0.5712 0.4707 ( 3067 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6782 -10.6780 -10.6226 -10.6226 0.3871 0.3937 1.2284 1.2321 4.2855 4.2858 5.1188 5.1217 5.7825 5.7939 5.9608 6.0092 6.5582 6.6084 6.8981 7.1999 7.4567 7.6553 8.7560 8.7651 9.7850 9.7861 10.5664 10.6116 11.0573 11.0883 13.1704 13.1831 13.3095 13.3551 13.5622 13.5689 k = 0.0165 0.5669 0.4756 ( 3069 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6781 -10.6781 -10.6226 -10.6226 0.3889 0.3922 1.2276 1.2295 4.2885 4.2886 5.1200 5.1214 5.7869 5.7928 5.9753 5.9997 6.5727 6.5983 6.9742 7.1325 7.4821 7.5881 8.7635 8.7681 9.7918 9.7925 10.5742 10.5970 11.0589 11.0746 13.1860 13.1969 13.2964 13.3240 13.5552 13.5584 k = 0.0000 0.5627 0.4806 ( 3068 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6781 -10.6781 -10.6226 -10.6226 0.3906 0.3906 1.2280 1.2280 4.2895 4.2895 5.1208 5.1208 5.7904 5.7904 5.9884 5.9884 6.5862 6.5862 7.0538 7.0538 7.5291 7.5291 8.7676 8.7676 9.7944 9.7944 10.5844 10.5844 11.0647 11.0647 13.1972 13.1972 13.3019 13.3019 13.5539 13.5539 k = 0.0000 0.5627 0.4806 ( 3068 PWs) bands (ev): -29.7066 -29.7066 -11.0288 -11.0288 -10.6781 -10.6781 -10.6226 -10.6226 0.3906 0.3906 1.2280 1.2280 4.2895 4.2895 5.1208 5.1208 5.7904 5.7904 5.9884 5.9884 6.5862 6.5862 7.0538 7.0538 7.5291 7.5291 8.7676 8.7676 9.7944 9.7944 10.5844 10.5844 11.0647 11.0647 13.1972 13.1972 13.3019 13.3019 13.5539 13.5539 k = 0.0066 0.5519 0.4932 ( 3070 PWs) bands (ev): -29.7066 -29.7066 -11.0289 -11.0287 -10.6781 -10.6780 -10.6228 -10.6226 0.3915 0.3921 1.2279 1.2306 4.2838 4.2928 5.1164 5.1257 5.7869 5.7927 5.9732 6.0010 6.5710 6.5984 7.0393 7.0682 7.5263 7.5330 8.7451 8.7673 9.8040 9.8126 10.5421 10.6069 11.0393 11.1004 13.1986 13.1994 13.2661 13.3460 13.5157 13.5992 k = 0.0132 0.5411 0.5059 ( 3070 PWs) bands (ev): -29.7066 -29.7066 -11.0290 -11.0286 -10.6781 -10.6780 -10.6230 -10.6227 0.3949 0.3959 1.2303 1.2357 4.2757 4.2936 5.1123 5.1311 5.7821 5.7939 5.9554 6.0111 6.5528 6.6075 7.0250 7.0822 7.5246 7.5379 8.7030 8.7451 9.8387 9.8555 10.4890 10.6028 11.0300 11.1395 13.1899 13.2077 13.2539 13.3908 13.4898 13.6495 k = 0.0197 0.5303 0.5185 ( 3068 PWs) bands (ev): -29.7066 -29.7066 -11.0292 -11.0286 -10.6781 -10.6778 -10.6234 -10.6229 0.4006 0.4022 1.2352 1.2433 4.2651 4.2918 5.1086 5.1368 5.7761 5.7939 5.9346 6.0191 6.5320 6.6139 7.0110 7.0957 7.5240 7.5436 8.6467 8.7057 9.8879 9.9172 10.4351 10.5729 11.0372 11.1775 13.1659 13.2209 13.2710 13.4212 13.4930 13.7033 k = 0.0263 0.5195 0.5311 ( 3062 PWs) bands (ev): -29.7065 -29.7065 -11.0293 -11.0285 -10.6780 -10.6777 -10.6239 -10.6232 0.4087 0.4108 1.2425 1.2533 4.2521 4.2873 5.1049 5.1430 5.7686 5.7929 5.9106 6.0249 6.5091 6.6180 6.9976 7.1086 7.5244 7.5498 8.5819 8.6548 9.9329 9.9913 10.3943 10.5249 11.0559 11.2118 13.1407 13.2347 13.3039 13.4319 13.5346 13.7597 k = 0.0329 0.5087 0.5438 ( 3060 PWs) bands (ev): -29.7065 -29.7065 -11.0295 -11.0285 -10.6780 -10.6775 -10.6244 -10.6236 0.4192 0.4218 1.2523 1.2658 4.2364 4.2799 5.1011 5.1493 5.7598 5.7908 5.8832 6.0291 6.4847 6.6205 6.9848 7.1208 7.5258 7.5563 8.5131 8.5973 9.9497 10.0683 10.3842 10.4710 11.0812 11.2418 13.1197 13.2439 13.3476 13.4509 13.5908 13.8180 k = 0.0395 0.4979 0.5564 ( 3060 PWs) bands (ev): -29.7065 -29.7065 -11.0297 -11.0285 -10.6779 -10.6773 -10.6251 -10.6242 0.4321 0.4352 1.2646 1.2807 4.2181 4.2694 5.0967 5.1557 5.7498 5.7878 5.8521 6.0320 6.4598 6.6218 6.9726 7.1324 7.5281 7.5626 8.4434 8.5371 9.9245 10.1310 10.3977 10.4436 11.1119 11.2689 13.1040 13.2469 13.4012 13.4880 13.6518 13.8775 k = 0.0461 0.4871 0.5691 ( 3060 PWs) bands (ev): -29.7064 -29.7064 -11.0299 -11.0285 -10.6777 -10.6771 -10.6259 -10.6248 0.4473 0.4510 1.2792 1.2980 4.1969 4.2555 5.0913 5.1620 5.7388 5.7836 5.8175 6.0340 6.4352 6.6228 6.9610 7.1432 7.5311 7.5682 8.3752 8.4766 9.8660 10.1488 10.3962 10.4938 11.1504 11.2962 13.0941 13.2465 13.4640 13.5405 13.7155 13.9376 k = 0.0526 0.4763 0.5817 ( 3058 PWs) bands (ev): -29.7064 -29.7064 -11.0301 -11.0286 -10.6776 -10.6768 -10.6268 -10.6256 0.4650 0.4691 1.2963 1.3177 4.1726 4.2380 5.0842 5.1679 5.7273 5.7718 5.7859 6.0357 6.4116 6.6238 6.9498 7.1535 7.5348 7.5727 8.3099 8.4177 9.7894 10.1099 10.4228 10.5630 11.2018 11.3295 13.0898 13.2462 13.5352 13.6037 13.7814 13.9978 k = 0.0592 0.4655 0.5944 ( 3054 PWs) bands (ev): -29.7063 -29.7063 -11.0303 -11.0287 -10.6774 -10.6766 -10.6278 -10.6264 0.4850 0.4896 1.3156 1.3396 4.1452 4.2166 5.0747 5.1732 5.7145 5.7341 5.7774 6.0378 6.3898 6.6255 6.9390 7.1632 7.5389 7.5755 8.2489 8.3613 9.7038 10.0412 10.4550 10.6244 11.2717 11.3760 13.0909 13.2483 13.6133 13.6735 13.8494 14.0576 k = 0.0658 0.4547 0.6070 ( 3046 PWs) bands (ev): -29.7062 -29.7062 -11.0306 -11.0287 -10.6772 -10.6763 -10.6287 -10.6273 0.5073 0.5125 1.3372 1.3638 4.1144 4.1910 5.0619 5.1775 5.6823 5.7104 5.7720 6.0406 6.3699 6.6281 6.9283 7.1723 7.5434 7.5758 8.1929 8.3083 9.6143 9.9614 10.4720 10.6655 11.3632 11.4429 13.0971 13.2536 13.6968 13.7464 13.9194 14.1162 k = 0.0724 0.4439 0.6197 ( 3044 PWs) bands (ev): -29.7062 -29.7062 -11.0308 -11.0289 -10.6770 -10.6760 -10.6298 -10.6283 0.5320 0.5378 1.3611 1.3902 4.0800 4.1609 5.0451 5.1805 5.6340 5.7024 5.7669 6.0445 6.3524 6.6320 6.9178 7.1809 7.5480 7.5729 8.1426 8.2591 9.5236 9.8776 10.4684 10.6807 11.4752 11.5333 13.1079 13.2628 13.7838 13.8194 13.9909 14.1721 k = 0.0789 0.4331 0.6323 ( 3046 PWs) bands (ev): -29.7061 -29.7061 -11.0311 -11.0290 -10.6768 -10.6757 -10.6310 -10.6294 0.5591 0.5653 1.3871 1.4187 4.0418 4.1261 5.0235 5.1815 5.5837 5.6986 5.7619 6.0500 6.3370 6.6373 6.9074 7.1889 7.5526 7.5661 8.0986 8.2140 9.4333 9.7925 10.4456 10.6711 11.6039 11.6450 13.1232 13.2759 13.8722 13.8903 14.0614 14.2225 k = 0.0855 0.4223 0.6450 ( 3046 PWs) bands (ev): -29.7060 -29.7060 -11.0314 -11.0292 -10.6766 -10.6754 -10.6322 -10.6305 0.5885 0.5953 1.4151 1.4493 3.9997 4.0864 4.9969 5.1791 5.5341 5.6987 5.7572 6.0571 6.3239 6.6441 6.8972 7.1963 7.5542 7.5575 8.0614 8.1734 9.3446 9.7076 10.4069 10.6408 11.7445 11.7730 13.1429 13.2928 13.9543 13.9629 14.1239 14.2618 k = 0.0921 0.4115 0.6576 ( 3050 PWs) bands (ev): -29.7060 -29.7060 -11.0317 -11.0294 -10.6763 -10.6750 -10.6335 -10.6317 0.6202 0.6275 1.4452 1.4818 3.9535 4.0417 4.9655 5.1716 5.4883 5.7026 5.7534 6.0659 6.3127 6.6522 6.8871 7.2031 7.5379 7.5612 8.0309 8.1376 9.2584 9.6238 10.3558 10.5947 11.8927 11.9113 13.1669 13.3137 14.0172 14.0456 14.1641 14.2819 k = 0.0987 0.4007 0.6703 ( 3048 PWs) bands (ev): -29.7059 -29.7059 -11.0320 -11.0296 -10.6761 -10.6747 -10.6347 -10.6330 0.6542 0.6621 1.4772 1.5161 3.9033 3.9919 4.9295 5.1563 5.4496 5.7092 5.7514 6.0766 6.3034 6.6618 6.8773 7.2093 7.5162 7.5645 8.0068 8.1068 9.1753 9.5418 10.2950 10.5366 12.0446 12.0549 13.1961 13.3388 14.0725 14.1147 14.1766 14.2801 k = 0.1053 0.3899 0.6829 ( 3050 PWs) bands (ev): -29.7058 -29.7058 -11.0323 -11.0298 -10.6758 -10.6744 -10.6360 -10.6342 0.6905 0.6989 1.5110 1.5522 3.8488 3.9370 4.8896 5.1307 5.4213 5.7157 5.7538 6.0891 6.2958 6.6725 6.8678 7.2147 7.4896 7.5668 7.9885 8.0814 9.0959 9.4619 10.2266 10.4692 12.1956 12.1991 13.2315 13.3688 14.1155 14.1205 14.2135 14.2719 k = 0.1118 0.3791 0.6956 ( 3048 PWs) bands (ev): -29.7057 -29.7057 -11.0326 -11.0301 -10.6756 -10.6741 -10.6372 -10.6355 0.7291 0.7380 1.5464 1.5900 3.7903 3.8773 4.8467 5.0942 5.4045 5.7186 5.7637 6.1033 6.2898 6.6844 6.8588 7.2193 7.4589 7.5676 7.9750 8.0617 9.0206 9.3845 10.1523 10.3948 12.3352 12.3447 13.2757 13.4049 14.0854 14.1343 14.2467 14.3044 k = 0.1184 0.3683 0.7082 ( 3052 PWs) bands (ev): -29.7056 -29.7056 -11.0329 -11.0304 -10.6754 -10.6738 -10.6385 -10.6368 0.7700 0.7794 1.5835 1.6292 3.7278 3.8130 4.8015 5.0486 5.3978 5.7178 5.7807 6.1191 6.2854 6.6971 6.8505 7.2230 7.4251 7.5667 7.9653 8.0480 8.9498 9.3099 10.0734 10.3147 12.4607 12.4826 13.3323 13.4496 14.0477 14.1219 14.2796 14.3632 k = 0.1250 0.3575 0.7208 ( 3058 PWs) bands (ev): -29.7056 -29.7056 -11.0332 -11.0307 -10.6752 -10.6735 -10.6398 -10.6381 0.8131 0.8230 1.6219 1.6697 3.6614 3.7443 4.7546 4.9967 5.3986 5.7152 5.8021 6.1360 6.2827 6.7105 6.8434 7.2255 7.3893 7.5636 7.9589 8.0400 8.8837 9.2382 9.9908 10.2303 12.5669 12.6045 13.4061 13.5066 14.0152 14.1008 14.3215 14.4210 k = 0.1316 0.3467 0.7335 ( 3054 PWs) bands (ev): -29.7055 -29.7055 -11.0335 -11.0309 -10.6749 -10.6732 -10.6410 -10.6394 0.8584 0.8688 1.6616 1.7115 3.5915 3.6717 4.7066 4.9409 5.4046 5.7120 5.8263 6.1538 6.2820 6.7239 6.8378 7.2262 7.3529 7.5582 7.9558 8.0371 8.8226 9.1697 9.9054 10.1425 12.6480 12.7034 13.5010 13.5803 13.9923 14.0841 14.3655 14.4747 k = 0.1382 0.3359 0.7461 ( 3054 PWs) bands (ev): -29.7054 -29.7054 -11.0338 -11.0313 -10.6747 -10.6729 -10.6422 -10.6407 0.9059 0.9168 1.7024 1.7541 3.5183 3.5955 4.6582 4.8830 5.4143 5.7086 5.8522 6.1713 6.2839 6.7368 6.8344 7.2235 7.3182 7.5503 7.9562 8.0384 8.7666 9.1044 9.8179 10.0520 12.7021 12.7740 13.6176 13.6736 13.9818 14.0764 14.4092 14.5243 k = 0.1447 0.3251 0.7588 ( 3054 PWs) bands (ev): -29.7053 -29.7053 -11.0341 -11.0316 -10.6745 -10.6727 -10.6433 -10.6419 0.9555 0.9670 1.7440 1.7976 3.4422 3.5163 4.6096 4.8241 5.4265 5.7053 5.8790 6.1875 6.2893 6.7483 6.8342 7.2138 7.2896 7.5399 7.9603 8.0432 8.7157 9.0424 9.7289 9.9596 12.7315 12.8156 13.7525 13.7838 13.9870 14.0792 14.4521 14.5703 k = 0.1513 0.3143 0.7714 ( 3054 PWs) bands (ev): -29.7052 -29.7052 -11.0343 -11.0319 -10.6743 -10.6725 -10.6444 -10.6431 1.0073 1.0192 1.7863 1.8416 3.3635 3.4345 4.5613 4.7650 5.4404 5.7021 5.9060 6.2006 6.2995 6.7574 6.8381 7.1928 7.2723 7.5272 7.9683 8.0506 8.6700 8.9839 9.6389 9.8657 12.7413 12.8316 13.8961 13.8999 14.0183 14.0929 14.4942 14.6133 k = 0.1579 0.3035 0.7841 ( 3048 PWs) bands (ev): -29.7051 -29.7051 -11.0346 -11.0322 -10.6741 -10.6723 -10.6454 -10.6442 1.0611 1.0736 1.8289 1.8857 3.2827 3.3506 4.5136 4.7062 5.4556 5.6991 5.9328 6.2097 6.3151 6.7637 6.8464 7.1624 7.2647 7.5125 7.9801 8.0603 8.6294 8.9289 9.5484 9.7710 12.7366 12.8279 13.9713 14.0505 14.1069 14.1204 14.5364 14.6542 k = 0.1645 0.2927 0.7967 ( 3052 PWs) bands (ev): -29.7051 -29.7051 -11.0348 -11.0326 -10.6740 -10.6721 -10.6464 -10.6453 1.1170 1.1299 1.8716 1.9299 3.2002 3.2652 4.4668 4.6480 5.4716 5.6963 5.9589 6.2150 6.3355 6.7680 6.8583 7.1288 7.2617 7.4959 7.9958 8.0720 8.5937 8.8774 9.4579 9.6759 12.7218 12.8104 14.0166 14.1375 14.2192 14.2388 14.5808 14.6943 k = 0.1711 0.2819 0.8094 ( 3054 PWs) bands (ev): -29.7050 -29.7050 -11.0351 -11.0329 -10.6739 -10.6720 -10.6473 -10.6464 1.1748 1.1881 1.9141 1.9736 3.1164 3.1785 4.4213 4.5907 5.4883 5.6936 5.9838 6.2173 6.3592 6.7713 6.8724 7.0955 7.2604 7.4779 8.0152 8.0854 8.5628 8.8295 9.3678 9.5807 12.7006 12.7840 14.0599 14.1787 14.3611 14.3759 14.6332 14.7365 k = 0.1776 0.2711 0.8220 ( 3052 PWs) bands (ev): -29.7049 -29.7049 -11.0353 -11.0332 -10.6738 -10.6719 -10.6481 -10.6473 1.2344 1.2482 1.9560 2.0164 3.0317 3.0912 4.3773 4.5349 5.5052 5.6912 6.0072 6.2175 6.3848 6.7743 6.8872 7.0649 7.2600 7.4586 8.0382 8.1007 8.5364 8.7851 9.2786 9.4860 12.6756 12.7523 14.1068 14.2234 14.4737 14.5074 14.7047 14.7867 k = 0.1842 0.2603 0.8347 ( 3052 PWs) bands (ev): -29.7049 -29.7049 -11.0355 -11.0336 -10.6737 -10.6719 -10.6489 -10.6481 1.2959 1.3100 1.9968 2.0580 2.9465 3.0037 4.3354 4.4807 5.5222 5.6888 6.0289 6.2161 6.4110 6.7770 6.9013 7.0390 7.2598 7.4384 8.0649 8.1178 8.5143 8.7442 9.1905 9.3920 12.6488 12.7180 14.1579 14.2726 14.5479 14.6124 14.8017 14.8543 k = 0.1908 0.2495 0.8473 ( 3048 PWs) bands (ev): -29.7048 -29.7048 -11.0356 -11.0339 -10.6736 -10.6719 -10.6495 -10.6489 1.3590 1.3733 2.0361 2.0978 2.8614 2.9164 4.2958 4.4286 5.5391 5.6865 6.0488 6.2136 6.4372 6.7786 6.9134 7.0203 7.2597 7.4174 8.0952 8.1369 8.4962 8.7069 9.1041 9.2992 12.6218 12.6832 14.2126 14.3257 14.5943 14.6811 14.9093 14.9397 k = 0.1974 0.2387 0.8600 ( 3048 PWs) bands (ev): -29.7047 -29.7047 -11.0358 -11.0342 -10.6735 -10.6719 -10.6501 -10.6496 1.4235 1.4381 2.0734 2.1353 2.7768 2.8299 4.2592 4.3790 5.5557 5.6842 6.0668 6.2100 6.4627 6.7774 6.9233 7.0108 7.2596 7.3958 8.1291 8.1583 8.4818 8.6730 9.0198 9.2079 12.5957 12.6492 14.2702 14.3818 14.6260 14.7234 15.0066 15.0231 k = 0.2039 0.2279 0.8726 ( 3046 PWs) bands (ev): -29.7047 -29.7047 -11.0359 -11.0345 -10.6734 -10.6720 -10.6506 -10.6502 1.4893 1.5039 2.1079 2.1697 2.6933 2.7448 4.2259 4.3324 5.5716 5.6819 6.0828 6.2055 6.4873 6.7716 6.9325 7.0102 7.2595 7.3739 8.1667 8.1823 8.4707 8.6425 8.9380 9.1184 12.5713 12.6172 14.3300 14.4403 14.6499 14.7515 15.0777 15.0807 k = 0.2105 0.2171 0.8852 ( 3044 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0347 -10.6733 -10.6720 -10.6510 -10.6507 1.5559 1.5703 2.1390 2.2001 2.6119 2.6618 4.1966 4.2893 5.5868 5.6793 6.0971 6.2001 6.5109 6.7603 6.9440 7.0154 7.2594 7.3518 8.2078 8.2092 8.4626 8.6155 8.8592 9.0312 12.5495 12.5880 14.3911 14.5001 14.6689 14.7718 15.1006 15.1143 k = 0.2171 0.2063 0.8979 ( 3048 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0350 -10.6733 -10.6722 -10.6514 -10.6511 1.6228 1.6366 2.1657 2.2254 2.5340 2.5823 4.1719 4.2501 5.6010 5.6765 6.1098 6.1940 6.5335 6.7444 6.9592 7.0230 7.2593 7.3300 8.2392 8.2526 8.4572 8.5917 8.7839 8.9466 12.5307 12.5620 14.4526 14.5600 14.6847 14.7871 15.0909 15.1175 k = 0.2237 0.1955 0.9105 ( 3050 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0352 -10.6732 -10.6723 -10.6517 -10.6515 1.6888 1.7017 2.1868 2.2433 2.4623 2.5080 4.1522 4.2156 5.6141 5.6733 6.1211 6.1874 6.5554 6.7255 6.9772 7.0307 7.2591 7.3090 8.2727 8.3004 8.4540 8.5713 8.7130 8.8651 12.5152 12.5398 14.5132 14.6174 14.6997 14.7989 15.0638 15.0979 k = 0.2303 0.1847 0.9232 ( 3054 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0355 -10.6731 -10.6724 -10.6519 -10.6518 1.7523 1.7635 2.2005 2.2493 2.4030 2.4424 4.1382 4.1862 5.6259 5.6696 6.1313 6.1803 6.5769 6.7050 6.9961 7.0370 7.2590 7.2897 8.3100 8.3505 8.4528 8.5535 8.6481 8.7873 12.5035 12.5217 14.5711 14.6642 14.7210 14.8080 15.0284 15.0648 k = 0.2368 0.1739 0.9358 ( 3062 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0357 -10.6730 -10.6726 -10.6521 -10.6520 1.8094 1.8179 2.2049 2.2368 2.3660 2.3910 4.1302 4.1625 5.6364 5.6651 6.1406 6.1729 6.5982 6.6837 7.0138 7.0410 7.2588 7.2737 8.3509 8.4001 8.4533 8.5346 8.5955 8.7143 12.4958 12.5078 14.6230 14.6869 14.7596 14.8149 14.9917 15.0249 k = 0.2434 0.1631 0.9485 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0358 -10.6729 -10.6727 -10.6522 -10.6521 1.8529 1.8574 2.2008 2.2123 2.3520 2.3597 4.1285 4.1447 5.6455 5.6597 6.1492 6.1653 6.6194 6.6623 7.0281 7.0414 7.2588 7.2627 8.3946 8.4372 8.4589 8.5016 8.5755 8.6486 12.4923 12.4982 14.6635 14.6926 14.8012 14.8200 14.9633 14.9851 k = 0.2500 0.1523 0.9611 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6522 -10.6522 1.8712 1.8712 2.1984 2.1984 2.3495 2.3495 4.1334 4.1334 5.6532 5.6532 6.1574 6.1574 6.6408 6.6408 7.0374 7.0374 7.2588 7.2588 8.4339 8.4339 8.4717 8.4717 8.5971 8.5971 12.4931 12.4931 14.6864 14.6864 14.8215 14.8215 14.9589 14.9589 k = 0.2500 0.1523 0.9611 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6522 -10.6522 1.8712 1.8712 2.1984 2.1984 2.3495 2.3495 4.1334 4.1334 5.6532 5.6532 6.1574 6.1574 6.6408 6.6408 7.0374 7.0374 7.2588 7.2588 8.4339 8.4339 8.4717 8.4717 8.5971 8.5971 12.4931 12.4931 14.6864 14.6864 14.8215 14.8215 14.9589 14.9589 k = 0.2632 0.1603 0.9517 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0359 -10.6729 -10.6727 -10.6522 -10.6522 1.8655 1.8678 2.1986 2.2029 2.3505 2.3519 4.1309 4.1397 5.6481 5.6564 6.1528 6.1600 6.6304 6.6514 7.0339 7.0415 7.2580 7.2605 8.3940 8.4359 8.4774 8.4909 8.5887 8.6206 12.4949 12.4981 14.6753 14.6853 14.8194 14.8267 14.9565 14.9691 k = 0.2763 0.1683 0.9424 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0358 -10.6729 -10.6727 -10.6522 -10.6521 1.8516 1.8561 2.2028 2.2116 2.3542 2.3568 4.1321 4.1503 5.6405 5.6586 6.1474 6.1592 6.6219 6.6605 7.0301 7.0466 7.2554 7.2665 8.3416 8.4095 8.4902 8.5224 8.6024 8.6481 12.5034 12.5098 14.6587 14.6724 14.8155 14.8319 14.9638 14.9856 k = 0.2895 0.1763 0.9330 ( 3050 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0357 -10.6729 -10.6726 -10.6521 -10.6521 1.8315 1.8382 2.2099 2.2232 2.3598 2.3635 4.1370 4.1652 5.6304 5.6597 6.1416 6.1548 6.6156 6.6675 7.0255 7.0519 7.2515 7.2769 8.2882 8.3691 8.5060 8.5561 8.6283 8.6785 12.5180 12.5277 14.6394 14.6539 14.8094 14.8315 14.9805 15.0060 k = 0.3026 0.1843 0.9236 ( 3048 PWs) bands (ev): -29.7045 -29.7045 -11.0360 -11.0356 -10.6730 -10.6725 -10.6521 -10.6520 1.8071 1.8159 2.2186 2.2364 2.3667 2.3712 4.1458 4.1844 5.6181 5.6599 6.1354 6.1471 6.6114 6.6721 7.0199 7.0565 7.2471 7.2918 8.2354 8.3246 8.5221 8.5912 8.6597 8.7113 12.5384 12.5515 14.6189 14.6331 14.8020 14.8264 15.0023 15.0278 k = 0.3158 0.1924 0.9142 ( 3049 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0355 -10.6730 -10.6724 -10.6520 -10.6519 1.7798 1.7907 2.2281 2.2502 2.3742 2.3793 4.1584 4.2078 5.6039 5.6592 6.1290 6.1364 6.6090 6.6741 7.0128 7.0592 7.2436 7.3111 8.1841 8.2796 8.5383 8.6273 8.6941 8.7462 12.5639 12.5804 14.5978 14.6113 14.7942 14.8192 15.0253 15.0491 k = 0.3289 0.2004 0.9048 ( 3047 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0354 -10.6731 -10.6723 -10.6519 -10.6518 1.7505 1.7636 2.2376 2.2640 2.3819 2.3874 4.1745 4.2351 5.5881 5.6576 6.1227 6.1230 6.6078 6.6732 7.0041 7.0583 7.2429 7.3346 8.1349 8.2359 8.5544 8.6644 8.7301 8.7829 12.5939 12.6138 14.5765 14.5890 14.7867 14.8114 15.0468 15.0688 k = 0.3421 0.2084 0.8954 ( 3047 PWs) bands (ev): -29.7046 -29.7046 -11.0361 -11.0353 -10.6732 -10.6723 -10.6518 -10.6516 1.7201 1.7354 2.2471 2.2773 2.3895 2.3954 4.1941 4.2661 5.5710 5.6553 6.1076 6.1166 6.6073 6.6696 6.9934 7.0525 7.2465 7.3617 8.0884 8.1949 8.5704 8.7021 8.7671 8.8212 12.6277 12.6509 14.5552 14.5666 14.7797 14.8042 15.0654 15.0859 k = 0.3553 0.2164 0.8860 ( 3044 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0352 -10.6732 -10.6722 -10.6516 -10.6515 1.6888 1.7063 2.2562 2.2903 2.3968 2.4030 4.2168 4.3004 5.5529 5.6524 6.0908 6.1108 6.6067 6.6633 6.9809 7.0412 7.2554 7.3918 8.0449 8.1576 8.5864 8.7401 8.8048 8.8610 12.6642 12.6909 14.5339 14.5442 14.7736 14.7979 15.0803 15.0998 k = 0.3684 0.2244 0.8767 ( 3038 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0351 -10.6732 -10.6721 -10.6515 -10.6513 1.6569 1.6767 2.2651 2.3027 2.4036 2.4102 4.2421 4.3376 5.5340 5.6489 6.0731 6.1054 6.6056 6.6543 6.9664 7.0247 7.2696 7.4239 8.0046 8.1248 8.6026 8.7785 8.8428 8.9021 12.7026 12.7327 14.5127 14.5220 14.7682 14.7927 15.0914 15.1105 k = 0.3816 0.2324 0.8673 ( 3032 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0349 -10.6733 -10.6720 -10.6513 -10.6511 1.6245 1.6466 2.2737 2.3147 2.4100 2.4171 4.2697 4.3771 5.5148 5.6450 6.0550 6.1006 6.6033 6.6431 6.9502 7.0042 7.2884 7.4569 7.9679 8.0973 8.6190 8.8168 8.8810 8.9443 12.7416 12.7753 14.4916 14.4999 14.7637 14.7885 15.0989 15.1179 k = 0.3947 0.2404 0.8579 ( 3037 PWs) bands (ev): -29.7046 -29.7046 -11.0360 -11.0348 -10.6733 -10.6720 -10.6511 -10.6509 1.5917 1.6161 2.2821 2.3264 2.4160 2.4237 4.2990 4.4185 5.4955 5.6408 6.0370 6.0964 6.5995 6.6297 6.9324 6.9813 7.3106 7.4896 7.9349 8.0760 8.6359 8.8550 8.9192 8.9875 12.7801 12.8174 14.4707 14.4782 14.7599 14.7851 15.1034 15.1224 k = 0.4079 0.2485 0.8485 ( 3037 PWs) bands (ev): -29.7047 -29.7047 -11.0359 -11.0347 -10.6734 -10.6719 -10.6509 -10.6507 1.5583 1.5851 2.2904 2.3377 2.4218 2.4301 4.3296 4.4612 5.4766 5.6365 6.0196 6.0928 6.5937 6.6144 6.9135 6.9572 7.3352 7.5206 7.9058 8.0615 8.6534 8.8929 8.9574 9.0317 12.8167 12.8576 14.4501 14.4570 14.7566 14.7821 15.1059 15.1242 k = 0.4211 0.2565 0.8391 ( 3033 PWs) bands (ev): -29.7047 -29.7047 -11.0359 -11.0346 -10.6734 -10.6719 -10.6506 -10.6504 1.5245 1.5535 2.2988 2.3489 2.4276 2.4366 4.3610 4.5045 5.4582 5.6322 6.0029 6.0898 6.5855 6.5977 6.8937 6.9332 7.3610 7.5487 7.8808 8.0544 8.6720 8.9303 8.9953 9.0767 12.8500 12.8945 14.4301 14.4365 14.7537 14.7791 15.1046 15.1164 k = 0.4342 0.2645 0.8297 ( 3033 PWs) bands (ev): -29.7047 -29.7047 -11.0358 -11.0344 -10.6735 -10.6718 -10.6504 -10.6502 1.4900 1.5213 2.3074 2.3601 2.4335 2.4433 4.3925 4.5480 5.4409 5.6282 5.9875 6.0875 6.5748 6.5799 6.8734 6.9105 7.3871 7.5726 7.8603 8.0550 8.6920 8.9671 9.0330 9.1226 12.8786 12.9266 14.4108 14.4172 14.7512 14.7754 15.0614 15.0666 k = 0.4474 0.2725 0.8204 ( 3035 PWs) bands (ev): -29.7047 -29.7047 -11.0358 -11.0343 -10.6735 -10.6718 -10.6502 -10.6499 1.4547 1.4881 2.3164 2.3713 2.4397 2.4502 4.4237 4.5910 5.4248 5.6245 5.9735 6.0856 6.5613 6.5614 6.8529 6.8900 7.4121 7.5916 7.8447 8.0631 8.7138 9.0032 9.0704 9.1692 12.9011 12.9526 14.3927 14.3993 14.7489 14.7706 14.9980 15.0029 k = 0.4605 0.2805 0.8110 ( 3035 PWs) bands (ev): -29.7048 -29.7048 -11.0357 -11.0341 -10.6736 -10.6717 -10.6499 -10.6496 1.4186 1.4540 2.3259 2.3828 2.4465 2.4575 4.4542 4.6328 5.4105 5.6214 5.9611 6.0842 6.5427 6.5450 6.8327 6.8723 7.4350 7.6054 7.8346 8.0775 8.7381 9.0383 9.1074 9.2165 12.9166 12.9711 14.3760 14.3830 14.7466 14.7630 14.9336 14.9367 k = 0.4737 0.2885 0.8016 ( 3041 PWs) bands (ev): -29.7048 -29.7048 -11.0356 -11.0340 -10.6736 -10.6717 -10.6496 -10.6493 1.3815 1.4188 2.3360 2.3946 2.4539 2.4654 4.4834 4.6728 5.3983 5.6190 5.9505 6.0830 6.5244 6.5263 6.8131 6.8579 7.4546 7.6146 7.8303 8.0968 8.7652 9.0724 9.1441 9.2645 12.9242 12.9815 14.3605 14.3686 14.7426 14.7488 14.8713 14.8740 k = 0.4868 0.2966 0.7922 ( 3039 PWs) bands (ev): -29.7048 -29.7048 -11.0356 -11.0338 -10.6737 -10.6716 -10.6493 -10.6490 1.3433 1.3823 2.3469 2.4071 2.4621 2.4740 4.5111 4.7105 5.3884 5.6174 5.9418 6.0818 6.5054 6.5072 6.7943 6.8469 7.4700 7.6199 7.8323 8.1190 8.7956 9.1052 9.1805 9.3133 12.9238 12.9835 14.3460 14.3558 14.7176 14.7292 14.8155 14.8306 k = 0.5000 0.3046 0.7828 ( 3044 PWs) bands (ev): -29.7049 -29.7049 -11.0355 -11.0337 -10.6737 -10.6716 -10.6490 -10.6487 1.3039 1.3445 2.3587 2.4202 2.4712 2.4833 4.5368 4.7452 5.3812 5.6166 5.9352 6.0805 6.4828 6.4915 6.7766 6.8394 7.4810 7.6222 7.8404 8.1421 8.8296 9.1366 9.2168 9.3627 12.9156 12.9773 14.3320 14.3443 14.6635 14.6884 14.7877 14.8101 k = 0.5000 0.3046 0.7828 ( 3044 PWs) bands (ev): -29.7049 -29.7049 -11.0355 -11.0337 -10.6737 -10.6716 -10.6490 -10.6487 1.3039 1.3445 2.3587 2.4202 2.4712 2.4833 4.5368 4.7452 5.3812 5.6166 5.9352 6.0805 6.4828 6.4915 6.7766 6.8394 7.4810 7.6222 7.8404 8.1421 8.8296 9.1366 9.2168 9.3627 12.9156 12.9773 14.3320 14.3443 14.6635 14.6884 14.7877 14.8101 k = 0.5000 0.3046 0.7650 ( 3050 PWs) bands (ev): -29.7049 -29.7049 -11.0353 -11.0334 -10.6738 -10.6714 -10.6484 -10.6480 1.2274 1.2705 2.3821 2.4457 2.4900 2.5025 4.5844 4.8078 5.3705 5.6140 5.9247 6.0767 6.4374 6.4632 6.7455 6.8316 7.4964 7.6230 7.8659 8.1896 8.8994 9.1966 9.2879 9.4580 12.8922 12.9572 14.2982 14.3192 14.5311 14.5659 14.7781 14.7953 k = 0.5000 0.3046 0.7472 ( 3054 PWs) bands (ev): -29.7050 -29.7050 -11.0351 -11.0330 -10.6739 -10.6713 -10.6476 -10.6473 1.1502 1.1954 2.4060 2.4714 2.5097 2.5224 4.6328 4.8692 5.3604 5.6077 5.9143 6.0712 6.3906 6.4349 6.7171 6.8294 7.5088 7.6216 7.9014 8.2448 8.9720 9.2604 9.3636 9.5552 12.8674 12.9351 14.2403 14.2753 14.4001 14.4482 14.7675 14.7784 k = 0.5000 0.3046 0.7294 ( 3050 PWs) bands (ev): -29.7051 -29.7051 -11.0349 -11.0326 -10.6739 -10.6712 -10.6468 -10.6465 1.0726 1.1196 2.4305 2.4974 2.5301 2.5430 4.6813 4.9285 5.3509 5.5975 5.9034 6.0640 6.3446 6.4075 6.6914 6.8317 7.5178 7.6185 7.9477 8.3078 9.0470 9.3277 9.4434 9.6539 12.8413 12.9109 14.1389 14.1712 14.3212 14.3656 14.7468 14.7537 k = 0.5000 0.3046 0.7117 ( 3050 PWs) bands (ev): -29.7052 -29.7052 -11.0346 -11.0323 -10.6740 -10.6711 -10.6460 -10.6456 0.9950 1.0432 2.4556 2.5238 2.5512 2.5641 4.7295 4.9845 5.3419 5.5839 5.8916 6.0558 6.3011 6.3819 6.6684 6.8373 7.5236 7.6143 8.0049 8.3785 9.1241 9.3983 9.5269 9.7538 12.8140 12.8848 14.0009 14.0215 14.2825 14.3142 14.7171 14.7222 k = 0.5000 0.3046 0.6939 ( 3044 PWs) bands (ev): -29.7053 -29.7052 -11.0343 -11.0319 -10.6740 -10.6709 -10.6451 -10.6447 0.9175 0.9668 2.4812 2.5498 2.5733 2.5856 4.7767 5.0360 5.3335 5.5672 5.8781 6.0471 6.2614 6.3585 6.6482 6.8457 7.5266 7.6092 8.0728 8.4566 9.2030 9.4719 9.6135 9.8547 12.7856 12.8570 13.8463 13.8600 14.2520 14.2755 14.6811 14.6859 k = 0.5000 0.3046 0.6761 ( 3040 PWs) bands (ev): -29.7053 -29.7053 -11.0340 -11.0314 -10.6740 -10.6708 -10.6441 -10.6437 0.8406 0.8906 2.5074 2.5745 2.5977 2.6074 4.8227 5.0822 5.3258 5.5481 5.8625 6.0393 6.2265 6.3374 6.6308 6.8562 7.5274 7.6037 8.1510 8.5422 9.2837 9.5484 9.7028 9.9564 12.7561 12.8275 13.6847 13.6946 14.2231 14.2412 14.6412 14.6462 k = 0.5000 0.3046 0.6583 ( 3040 PWs) bands (ev): -29.7054 -29.7054 -11.0336 -11.0310 -10.6740 -10.6707 -10.6431 -10.6427 0.7643 0.8149 2.5338 2.5964 2.6252 2.6295 4.8669 5.1221 5.3186 5.5274 5.8446 6.0336 6.1967 6.3183 6.6162 6.8684 7.5264 7.5978 8.2390 8.6351 9.3658 9.6276 9.7945 10.0585 12.7256 12.7965 13.5197 13.5275 14.1945 14.2084 14.5990 14.6041 k = 0.5000 0.3046 0.6405 ( 3048 PWs) bands (ev): -29.7055 -29.7055 -11.0333 -11.0306 -10.6740 -10.6706 -10.6421 -10.6416 0.6889 0.7397 2.5601 2.6158 2.6521 2.6556 4.9091 5.1551 5.3119 5.5059 5.8246 6.0313 6.1720 6.3008 6.6046 6.8820 7.5241 7.5918 8.3363 8.7352 9.4495 9.7092 9.8880 10.1610 12.6942 12.7640 13.3533 13.3599 14.1660 14.1763 14.5554 14.5603 k = 0.5000 0.3046 0.6227 ( 3042 PWs) bands (ev): -29.7056 -29.7056 -11.0329 -11.0302 -10.6740 -10.6705 -10.6410 -10.6405 0.6146 0.6655 2.5859 2.6331 2.6753 2.6882 4.9485 5.1811 5.3055 5.4848 5.8030 6.0337 6.1520 6.2844 6.5961 6.8968 7.5208 7.5858 8.4423 8.8423 9.5344 9.7929 9.9831 10.2635 12.6618 12.7303 13.1866 13.1925 14.1376 14.1444 14.5113 14.5151 k = 0.5000 0.3046 0.6049 ( 3042 PWs) bands (ev): -29.7058 -29.7057 -11.0325 -11.0298 -10.6740 -10.6704 -10.6398 -10.6394 0.5415 0.5923 2.6103 2.6485 2.6997 2.7225 4.9846 5.2003 5.2993 5.4654 5.7805 6.0413 6.1359 6.2687 6.5906 6.9126 7.5169 7.5799 8.5565 8.9564 9.6206 9.8787 10.0794 10.3658 12.6281 12.6951 13.0205 13.0264 14.1092 14.1128 14.4669 14.4687 k = 0.5000 0.3046 0.5871 ( 3046 PWs) bands (ev): -29.7059 -29.7059 -11.0321 -11.0293 -10.6739 -10.6703 -10.6387 -10.6382 0.4698 0.5202 2.6326 2.6621 2.7259 2.7583 5.0163 5.2138 5.2927 5.4492 5.7579 6.0542 6.1229 6.2535 6.5883 6.9294 7.5125 7.5741 8.6783 9.0770 9.7079 9.9662 10.1766 10.4676 12.5921 12.6579 12.8566 12.8633 14.0811 14.0814 14.4211 14.4226 k = 0.5000 0.3046 0.5693 ( 3054 PWs) bands (ev): -29.7060 -29.7060 -11.0317 -11.0289 -10.6739 -10.6702 -10.6375 -10.6370 0.3995 0.4495 2.6520 2.6738 2.7543 2.7954 5.0425 5.2229 5.2854 5.4380 5.7362 6.0721 6.1122 6.2386 6.5890 6.9469 7.5079 7.5685 8.8071 9.2041 9.7960 10.0551 10.2742 10.5686 12.5491 12.6127 12.7016 12.7083 14.0504 14.0532 14.3722 14.3786 k = 0.5000 0.3046 0.5515 ( 3050 PWs) bands (ev): -29.7061 -29.7061 -11.0313 -11.0285 -10.6738 -10.6701 -10.6362 -10.6358 0.3308 0.3802 2.6682 2.6834 2.7850 2.8338 5.0620 5.2289 5.2773 5.4331 5.7161 6.0941 6.1033 6.2242 6.5928 6.9653 7.5033 7.5632 8.9424 9.3372 9.8847 10.1450 10.3719 10.6683 12.4736 12.5084 12.5875 12.6076 14.0197 14.0257 14.3219 14.3349 k = 0.5000 0.3046 0.5337 ( 3050 PWs) bands (ev): -29.7062 -29.7062 -11.0309 -11.0280 -10.6737 -10.6700 -10.6349 -10.6345 0.2638 0.3125 2.6810 2.6908 2.8179 2.8732 5.0740 5.2332 5.2682 5.4354 5.6987 6.0956 6.1183 6.2114 6.5994 6.9843 7.4987 7.5582 9.0836 9.4761 9.9736 10.2356 10.4692 10.7662 12.3404 12.3558 12.5269 12.5648 13.9895 13.9987 14.2700 14.2915 k = 0.5000 0.3046 0.5159 ( 3046 PWs) bands (ev): -29.7063 -29.7063 -11.0304 -11.0276 -10.6736 -10.6699 -10.6336 -10.6332 0.1985 0.2465 2.6905 2.6959 2.8527 2.9137 5.0788 5.2367 5.2585 5.4441 5.6854 6.0887 6.1400 6.2040 6.6090 7.0041 7.4943 7.5536 9.2300 9.6204 10.0624 10.3262 10.5655 10.8618 12.1892 12.2006 12.4875 12.5286 13.9599 13.9722 14.2163 14.2484 k = 0.5000 0.3046 0.4982 ( 3050 PWs) bands (ev): -29.7065 -29.7064 -11.0299 -11.0272 -10.6735 -10.6698 -10.6323 -10.6319 0.1351 0.1821 2.6968 2.6987 2.8892 2.9552 5.0773 5.2399 5.2488 5.4567 5.6782 6.0824 6.1484 6.2123 6.6214 7.0245 7.4903 7.5494 9.3809 9.7696 10.1504 10.4158 10.6604 10.9542 12.0372 12.0487 12.4532 12.4949 13.9309 13.9461 14.1610 14.2056 k = 0.5000 0.3046 0.4804 ( 3058 PWs) bands (ev): -29.7066 -29.7066 -11.0295 -11.0268 -10.6734 -10.6697 -10.6310 -10.6306 0.0736 0.1196 2.6991 2.7001 2.9270 2.9974 5.0715 5.2367 5.2458 5.4692 5.6798 6.0764 6.1411 6.2378 6.6367 7.0456 7.4868 7.5458 9.5357 9.9232 10.2368 10.5029 10.7527 11.0426 11.8886 11.9025 12.4213 12.4638 13.9026 13.9203 14.1042 14.1631 k = 0.5000 0.3046 0.4626 ( 3066 PWs) bands (ev): -29.7067 -29.7067 -11.0291 -11.0264 -10.6733 -10.6697 -10.6297 -10.6293 0.0140 0.0589 2.6971 2.7006 2.9659 3.0404 5.0628 5.2267 5.2508 5.4779 5.6927 6.0706 6.1278 6.2705 6.6549 7.0673 7.4840 7.5427 9.6934 10.0804 10.3204 10.5851 10.8413 11.1258 11.7461 11.7650 12.3914 12.4358 13.8749 13.8942 14.0469 14.1208 k = 0.5000 0.3046 0.4448 ( 3066 PWs) bands (ev): -29.7068 -29.7068 -11.0286 -11.0260 -10.6732 -10.6696 -10.6283 -10.6279 -0.0435 0.0002 2.6927 2.6983 3.0057 3.0839 5.0527 5.2165 5.2576 5.4807 5.7178 6.0649 6.1127 6.3059 6.6761 7.0895 7.4820 7.5403 9.8529 10.2402 10.3994 10.6580 10.9240 11.2024 11.6138 11.6410 12.3635 12.4120 13.8479 13.8670 13.9907 14.0789 k = 0.5000 0.3046 0.4270 ( 3054 PWs) bands (ev): -29.7070 -29.7069 -11.0281 -11.0255 -10.6730 -10.6694 -10.6269 -10.6266 -0.0990 -0.0566 2.6862 2.6935 3.0462 3.1279 5.0422 5.2063 5.2660 5.4785 5.7535 6.0592 6.0968 6.3425 6.7005 7.1122 7.4810 7.5386 10.0128 10.3996 10.4723 10.7141 10.9961 11.2708 11.4989 11.5391 12.3382 12.3936 13.8214 13.8363 13.9390 14.0375 k = 0.5000 0.3046 0.4092 ( 3054 PWs) bands (ev): -29.7071 -29.7071 -11.0276 -11.0251 -10.6728 -10.6693 -10.6255 -10.6252 -0.1524 -0.1113 2.6777 2.6862 3.0872 3.1722 5.0318 5.1964 5.2762 5.4730 5.7971 6.0537 6.0805 6.3793 6.7284 7.1353 7.4812 7.5377 10.1705 10.5166 10.5731 10.7424 11.0488 11.3277 11.4166 11.4736 12.3163 12.3817 13.7951 13.7990 13.8959 13.9971 k = 0.5000 0.3046 0.3914 ( 3052 PWs) bands (ev): -29.7072 -29.7072 -11.0272 -11.0247 -10.6726 -10.6692 -10.6242 -10.6239 -0.2036 -0.1639 2.6672 2.6768 3.1287 3.2166 5.0219 5.1866 5.2881 5.4659 5.8462 6.0485 6.0640 6.4161 6.7598 7.1587 7.4829 7.5376 10.3201 10.5540 10.7236 10.7355 11.0729 11.3663 11.3889 11.4623 12.2988 12.3776 13.7547 13.7687 13.8635 13.9582 k = 0.5000 0.3046 0.3736 ( 3048 PWs) bands (ev): -29.7073 -29.7073 -11.0267 -11.0244 -10.6724 -10.6691 -10.6228 -10.6225 -0.2527 -0.2145 2.6550 2.6655 3.1704 3.2611 5.0128 5.1770 5.3016 5.4584 5.8983 6.0448 6.0474 6.4523 6.7951 7.1823 7.4862 7.5384 10.4420 10.5514 10.7102 10.8556 11.0931 11.3908 11.4176 11.5019 12.2869 12.3818 13.7069 13.7418 13.8393 13.9215 k = 0.5000 0.3046 0.3558 ( 3044 PWs) bands (ev): -29.7074 -29.7074 -11.0263 -11.0240 -10.6722 -10.6690 -10.6215 -10.6212 -0.2996 -0.2628 2.6414 2.6525 3.2122 3.3053 5.0046 5.1676 5.3168 5.4512 5.9487 6.0307 6.0459 6.4877 6.8343 7.2058 7.4916 7.5402 10.4722 10.5057 10.7382 10.9328 11.1676 11.4150 11.4812 11.5698 12.2818 12.3943 13.6598 13.7139 13.8201 13.8879 k = 0.5000 0.3046 0.3380 ( 3052 PWs) bands (ev): -29.7075 -29.7075 -11.0259 -11.0237 -10.6720 -10.6689 -10.6202 -10.6200 -0.3443 -0.3091 2.6266 2.6380 3.2539 3.3491 4.9972 5.1582 5.3333 5.4447 5.9836 6.0139 6.0651 6.5220 6.8775 7.2290 7.4993 7.5431 10.4020 10.4254 10.8344 10.9629 11.2894 11.4409 11.5679 11.6573 12.2847 12.4140 13.6162 13.6845 13.8043 13.8581 k = 0.5000 0.3046 0.3202 ( 3048 PWs) bands (ev): -29.7076 -29.7076 -11.0254 -11.0233 -10.6717 -10.6688 -10.6189 -10.6187 -0.3867 -0.3531 2.6108 2.6225 3.2954 3.3924 4.9907 5.1489 5.3511 5.4395 5.9924 5.9970 6.1122 6.5553 6.9247 7.2518 7.5098 7.5470 10.2973 10.3247 10.9310 10.9736 11.4152 11.4747 11.6773 11.7609 12.2968 12.4392 13.5772 13.6534 13.7908 13.8325 k = 0.5000 0.3046 0.3025 ( 3044 PWs) bands (ev): -29.7077 -29.7077 -11.0250 -11.0230 -10.6715 -10.6687 -10.6177 -10.6175 -0.4268 -0.3949 2.5943 2.6060 3.3366 3.4348 4.9849 5.1395 5.3700 5.4356 5.9800 5.9890 6.1725 6.5875 6.9757 7.2738 7.5233 7.5521 10.1817 10.2139 10.9701 10.9969 11.5276 11.5280 11.8088 11.8777 12.3191 12.4680 13.5435 13.6208 13.7790 13.8109 k = 0.5000 0.3046 0.2847 ( 3040 PWs) bands (ev): -29.7078 -29.7078 -11.0246 -11.0227 -10.6713 -10.6686 -10.6165 -10.6163 -0.4647 -0.4344 2.5773 2.5890 3.3772 3.4761 4.9799 5.1302 5.3897 5.4333 5.9628 5.9816 6.2374 6.6185 7.0301 7.2950 7.5401 7.5585 10.0623 10.0987 10.9522 11.0223 11.6050 11.6286 11.9528 12.0058 12.3544 12.4987 13.5149 13.5870 13.7684 13.7929 k = 0.5000 0.3046 0.2669 ( 3042 PWs) bands (ev): -29.7079 -29.7079 -11.0242 -11.0225 -10.6711 -10.6685 -10.6153 -10.6152 -0.5003 -0.4717 2.5601 2.5716 3.4170 3.5162 4.9756 5.1209 5.4101 5.4327 5.9454 5.9725 6.3040 6.6485 7.0877 7.3154 7.5605 7.5661 9.9424 9.9824 10.9207 11.0126 11.7007 11.7220 12.0935 12.1436 12.4091 12.5301 13.4907 13.5524 13.7586 13.7777 k = 0.5000 0.3046 0.2491 ( 3040 PWs) bands (ev): -29.7080 -29.7080 -11.0238 -11.0222 -10.6708 -10.6685 -10.6142 -10.6141 -0.5335 -0.5067 2.5430 2.5541 3.4561 3.5547 4.9719 5.1116 5.4309 5.4338 5.9278 5.9621 6.3710 6.6775 7.1479 7.3351 7.5751 7.5843 9.8235 9.8669 10.8771 10.9786 11.8044 11.8114 12.2112 12.2882 12.4959 12.5626 13.4701 13.5175 13.7492 13.7646 k = 0.5000 0.3046 0.2313 ( 3052 PWs) bands (ev): -29.7081 -29.7081 -11.0235 -11.0220 -10.6707 -10.6684 -10.6132 -10.6131 -0.5645 -0.5395 2.5261 2.5368 3.4940 3.5915 4.9688 5.1022 5.4368 5.4520 5.9100 5.9508 6.4375 6.7056 7.2103 7.3544 7.5853 7.6114 9.7068 9.7535 10.8237 10.9289 11.8981 11.9090 12.2951 12.4322 12.6006 12.6207 13.4524 13.4828 13.7396 13.7527 k = 0.5000 0.3046 0.2135 ( 3048 PWs) bands (ev): -29.7082 -29.7082 -11.0232 -11.0218 -10.6704 -10.6684 -10.6122 -10.6121 -0.5931 -0.5699 2.5097 2.5199 3.5307 3.6261 4.9663 5.0928 5.4415 5.4732 5.8919 5.9388 6.5026 6.7326 7.2744 7.3738 7.5969 7.6415 9.5932 9.6429 10.7628 10.8689 11.9820 12.0109 12.3559 12.5478 12.6689 12.7690 13.4377 13.4496 13.7293 13.7412 k = 0.5000 0.3046 0.1957 ( 3048 PWs) bands (ev): -29.7083 -29.7083 -11.0229 -11.0216 -10.6702 -10.6683 -10.6112 -10.6111 -0.6193 -0.5980 2.4940 2.5035 3.5660 3.6585 4.9644 5.0833 5.4482 5.4944 5.8736 5.9261 6.5653 6.7585 7.3395 7.3939 7.6096 7.6742 9.4833 9.5359 10.6968 10.8024 12.0625 12.1083 12.4065 12.6033 12.7951 12.9229 13.4200 13.4276 13.7179 13.7293 k = 0.5000 0.3046 0.1779 ( 3056 PWs) bands (ev): -29.7084 -29.7083 -11.0226 -11.0214 -10.6700 -10.6683 -10.6104 -10.6103 -0.6432 -0.6238 2.4790 2.4879 3.5997 3.6884 4.9631 5.0739 5.4565 5.5154 5.8552 5.9127 6.6247 6.7833 7.4050 7.4152 7.6234 7.7088 9.3778 9.4330 10.6280 10.7319 12.1386 12.2000 12.4539 12.6351 12.9359 13.0660 13.3994 13.4295 13.7049 13.7160 k = 0.5000 0.3046 0.1601 ( 3060 PWs) bands (ev): -29.7084 -29.7084 -11.0224 -11.0213 -10.6698 -10.6683 -10.6096 -10.6095 -0.6648 -0.6472 2.4651 2.4733 3.6316 3.7154 4.9624 5.0646 5.4666 5.5360 5.8366 5.8988 6.6800 6.8067 7.4382 7.4701 7.6380 7.7447 9.2773 9.3348 10.5584 10.6595 12.2095 12.2855 12.5011 12.6613 13.0572 13.1723 13.4024 13.4640 13.6904 13.7008 k = 0.5000 0.3046 0.1423 ( 3068 PWs) bands (ev): -29.7085 -29.7085 -11.0222 -11.0212 -10.6697 -10.6683 -10.6089 -10.6089 -0.6840 -0.6683 2.4523 2.4597 3.6615 3.7394 4.9625 5.0553 5.4783 5.5559 5.8181 5.8843 6.7302 6.8285 7.4631 7.5341 7.6532 7.7811 9.1827 9.2419 10.4901 10.5871 12.2744 12.3637 12.5494 12.6860 13.1270 13.2172 13.4556 13.5506 13.6759 13.6834 k = 0.5000 0.3046 0.1245 ( 3068 PWs) bands (ev): -29.7085 -29.7085 -11.0219 -11.0211 -10.6695 -10.6683 -10.6083 -10.6082 -0.7008 -0.6870 2.4408 2.4474 3.6892 3.7603 4.9632 5.0461 5.4915 5.5750 5.8000 5.8694 6.7748 6.8486 7.4900 7.5956 7.6688 7.8169 9.0949 9.1549 10.4251 10.5164 12.3332 12.4338 12.5990 12.7104 13.1407 13.2184 13.5606 13.6339 13.6641 13.6966 k = 0.5000 0.3046 0.1067 ( 3076 PWs) bands (ev): -29.7086 -29.7086 -11.0218 -11.0210 -10.6693 -10.6683 -10.6077 -10.6077 -0.7153 -0.7034 2.4307 2.4364 3.7146 3.7778 4.9647 5.0371 5.5060 5.5927 5.7826 5.8541 6.8131 6.8667 7.5188 7.6510 7.6871 7.8510 9.0149 9.0745 10.3652 10.4490 12.3860 12.4944 12.6490 12.7354 13.1272 13.2012 13.6250 13.6395 13.6904 13.8135 k = 0.5000 0.3046 0.0890 ( 3076 PWs) bands (ev): -29.7086 -29.7086 -11.0216 -11.0210 -10.6692 -10.6683 -10.6072 -10.6072 -0.7273 -0.7175 2.4221 2.4268 3.7375 3.7918 4.9670 5.0283 5.5216 5.6082 5.7669 5.8384 6.8451 6.8825 7.5488 7.6827 7.7237 7.8817 8.9443 9.0015 10.3122 10.3866 12.4336 12.5440 12.6977 12.7612 13.1052 13.1765 13.6055 13.6186 13.8165 13.9323 k = 0.5000 0.3046 0.0712 ( 3086 PWs) bands (ev): -29.7087 -29.7087 -11.0214 -11.0210 -10.6690 -10.6683 -10.6069 -10.6069 -0.7371 -0.7291 2.4150 2.4188 3.7576 3.8021 4.9701 5.0198 5.5381 5.6202 5.7542 5.8226 6.8708 6.8957 7.5790 7.6943 7.7731 7.9072 8.8846 8.9369 10.2679 10.3308 12.4765 12.5811 12.7433 12.7874 13.0826 13.1487 13.5858 13.5968 13.9347 14.0360 k = 0.5000 0.3046 0.0534 ( 3082 PWs) bands (ev): -29.7087 -29.7087 -11.0213 -11.0209 -10.6689 -10.6684 -10.6065 -10.6065 -0.7444 -0.7384 2.4095 2.4124 3.7748 3.8089 4.9740 5.0116 5.5552 5.6266 5.7465 5.8067 6.8904 6.9062 7.6084 7.6991 7.8200 7.9253 8.8378 8.8820 10.2338 10.2831 12.5150 12.6047 12.7835 12.8126 13.0636 13.1202 13.5683 13.5768 14.0383 14.1190 k = 0.5000 0.3046 0.0356 ( 3092 PWs) bands (ev): -29.7087 -29.7087 -11.0212 -11.0210 -10.6688 -10.6685 -10.6064 -10.6063 -0.7493 -0.7454 2.4057 2.4076 3.7889 3.8120 4.9786 5.0039 5.5725 5.6257 5.7458 5.7911 6.9045 6.9135 7.6356 7.6980 7.8611 7.9341 8.8058 8.8381 10.2112 10.2452 12.5489 12.6149 12.8162 12.8339 13.0510 13.0933 13.5546 13.5605 14.1229 14.1786 k = 0.5000 0.3046 0.0178 ( 3084 PWs) bands (ev): -29.7087 -29.7087 -11.0211 -11.0210 -10.6687 -10.6685 -10.6062 -10.6062 -0.7519 -0.7499 2.4036 2.4046 3.7999 3.8115 4.9840 4.9967 5.5894 5.6178 5.7518 5.7762 6.9133 6.9174 7.6591 7.6910 7.8946 7.9321 8.7899 8.8071 10.2008 10.2182 12.5775 12.6125 12.8390 12.8476 13.0474 13.0703 13.5463 13.5493 14.1840 14.2126 k = 0.5000 0.3046-0.0000 ( 3092 PWs) bands (ev): -29.7087 -29.7087 -11.0211 -11.0211 -10.6686 -10.6686 -10.6062 -10.6062 -0.7521 -0.7521 2.4032 2.4032 3.8074 3.8074 4.9900 4.9900 5.6050 5.6050 5.7626 5.7626 6.9175 6.9175 7.6779 7.6779 7.9187 7.9187 8.7905 8.7905 10.2032 10.2032 12.5994 12.5994 12.8498 12.8498 13.0541 13.0541 13.5444 13.5444 14.2155 14.2155 k = 0.0000 0.0000 0.9611 ( 3040 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6727 -10.6727 -10.6521 -10.6521 1.8476 1.8476 2.1754 2.1754 2.3760 2.3760 4.2937 4.2937 5.5137 5.5137 6.0423 6.0423 6.6466 6.6466 7.0912 7.0912 7.4255 7.4255 7.9013 7.9013 8.5966 8.5966 8.8433 8.8433 13.0540 13.0540 14.3736 14.3736 14.6873 14.6873 15.2755 15.2755 k = 0.0147 0.0090 0.9611 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8478 1.8478 2.1755 2.1755 2.3758 2.3758 4.2922 4.2922 5.5152 5.5152 6.0431 6.0431 6.6466 6.6466 7.0915 7.0915 7.4220 7.4220 7.9058 7.9058 8.5961 8.5961 8.8420 8.8420 13.0470 13.0470 14.3786 14.3786 14.6897 14.6897 15.2719 15.2719 k = 0.0294 0.0179 0.9611 ( 3048 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8484 1.8484 2.1760 2.1760 2.3752 2.3752 4.2876 4.2876 5.5195 5.5195 6.0455 6.0455 6.6465 6.6465 7.0923 7.0923 7.4120 7.4120 7.9191 7.9191 8.5947 8.5947 8.8382 8.8382 13.0268 13.0268 14.3926 14.3926 14.6968 14.6968 15.2615 15.2615 k = 0.0441 0.0269 0.9611 ( 3048 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8493 1.8493 2.1769 2.1769 2.3742 2.3742 4.2803 4.2803 5.5263 5.5263 6.0494 6.0494 6.6463 6.6463 7.0935 7.0935 7.3967 7.3967 7.9398 7.9398 8.5924 8.5924 8.8318 8.8318 12.9951 12.9951 14.4134 14.4134 14.7089 14.7089 15.2446 15.2446 k = 0.0588 0.0358 0.9611 ( 3052 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8506 1.8506 2.1780 2.1780 2.3729 2.3729 4.2705 4.2705 5.5354 5.5354 6.0548 6.0548 6.6461 6.6461 7.0949 7.0949 7.3777 7.3777 7.9665 7.9665 8.5892 8.5892 8.8230 8.8230 12.9545 12.9545 14.4379 14.4379 14.7260 14.7260 15.2221 15.2221 k = 0.0735 0.0448 0.9611 ( 3042 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8522 1.8522 2.1795 2.1795 2.3712 2.3712 4.2587 4.2587 5.5462 5.5462 6.0616 6.0616 6.6459 6.6459 7.0962 7.0962 7.3569 7.3569 7.9978 7.9978 8.5853 8.5853 8.8117 8.8117 12.9077 12.9077 14.4634 14.4634 14.7478 14.7478 15.1948 15.1948 k = 0.0882 0.0537 0.9611 ( 3050 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8541 1.8541 2.1811 2.1811 2.3693 2.3693 4.2454 4.2454 5.5583 5.5583 6.0696 6.0696 6.6455 6.6455 7.0969 7.0969 7.3357 7.3357 8.0325 8.0325 8.5806 8.5806 8.7980 8.7980 12.8572 12.8572 14.4880 14.4880 14.7732 14.7732 15.1637 15.1637 k = 0.1029 0.0627 0.9611 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8561 1.8561 2.1830 2.1830 2.3671 2.3671 4.2312 4.2312 5.5711 5.5711 6.0787 6.0787 6.6451 6.6451 7.0965 7.0965 7.3157 7.3157 8.0696 8.0696 8.5753 8.5753 8.7820 8.7820 12.8053 12.8053 14.5107 14.5107 14.8006 14.8006 15.1298 15.1298 k = 0.1176 0.0717 0.9611 ( 3038 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6728 -10.6728 -10.6521 -10.6521 1.8582 1.8582 2.1850 2.1850 2.3648 2.3648 4.2164 4.2164 5.5842 5.5842 6.0887 6.0887 6.6447 6.6447 7.0945 7.0945 7.2979 7.2979 8.1083 8.1083 8.5694 8.5694 8.7638 8.7638 12.7539 12.7539 14.5317 14.5317 14.8282 14.8282 15.0939 15.0939 k = 0.1324 0.0806 0.9611 ( 3038 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6727 -10.6727 -10.6521 -10.6521 1.8604 1.8604 2.1871 2.1871 2.3623 2.3623 4.2017 4.2017 5.5969 5.5969 6.0992 6.0992 6.6442 6.6442 7.0904 7.0904 7.2833 7.2833 8.1481 8.1481 8.5631 8.5631 8.7436 8.7436 12.7045 12.7045 14.5515 14.5515 14.8544 14.8544 15.0571 15.0571 k = 0.1471 0.0896 0.9611 ( 3036 PWs) bands (ev): -29.7045 -29.7045 -11.0358 -11.0358 -10.6727 -10.6727 -10.6521 -10.6521 1.8626 1.8626 2.1893 2.1893 2.3599 2.3599 4.1875 4.1875 5.6090 5.6090 6.1100 6.1100 6.6437 6.6437 7.0841 7.0841 7.2724 7.2724 8.1884 8.1884 8.5564 8.5564 8.7217 8.7217 12.6585 12.6585 14.5707 14.5707 14.8779 14.8779 15.0201 15.0201 k = 0.1618 0.0985 0.9611 ( 3038 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6727 -10.6727 -10.6521 -10.6521 1.8646 1.8646 2.1914 2.1914 2.3575 2.3575 4.1744 4.1744 5.6201 5.6201 6.1205 6.1205 6.6431 6.6431 7.0760 7.0760 7.2652 7.2652 8.2289 8.2289 8.5492 8.5492 8.6985 8.6985 12.6168 12.6168 14.5898 14.5898 14.8974 14.8974 14.9842 14.9842 k = 0.1765 0.1075 0.9611 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8665 1.8665 2.1933 2.1933 2.3553 2.3553 4.1625 4.1625 5.6299 5.6299 6.1305 6.1305 6.6425 6.6425 7.0668 7.0668 7.2610 7.2610 8.2690 8.2690 8.5413 8.5413 8.6745 8.6745 12.5803 12.5803 14.6092 14.6092 14.9100 14.9100 14.9528 14.9528 k = 0.1912 0.1165 0.9611 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8681 1.8681 2.1950 2.1950 2.3533 2.3533 4.1524 4.1524 5.6381 5.6381 6.1395 6.1395 6.6420 6.6420 7.0576 7.0576 7.2590 7.2590 8.3085 8.3085 8.5321 8.5321 8.6509 8.6509 12.5495 12.5495 14.6288 14.6288 14.9009 14.9009 14.9416 14.9416 k = 0.2059 0.1254 0.9611 ( 3044 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6521 -10.6521 1.8695 1.8695 2.1965 2.1965 2.3517 2.3517 4.1442 4.1442 5.6446 5.6446 6.1470 6.1470 6.6415 6.6415 7.0494 7.0494 7.2584 7.2584 8.3468 8.3468 8.5206 8.5206 8.6292 8.6292 12.5251 12.5251 14.6483 14.6483 14.8741 14.8741 14.9474 14.9474 k = 0.2206 0.1344 0.9611 ( 3052 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6522 -10.6522 1.8704 1.8704 2.1976 2.1976 2.3505 2.3505 4.1382 4.1382 5.6494 5.6494 6.1526 6.1526 6.6411 6.6411 7.0429 7.0429 7.2584 7.2584 8.3830 8.3830 8.5052 8.5052 8.6118 8.6118 12.5074 12.5074 14.6665 14.6665 14.8482 14.8482 14.9537 14.9537 k = 0.2353 0.1433 0.9611 ( 3060 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6522 -10.6522 1.8710 1.8710 2.1982 2.1982 2.3497 2.3497 4.1346 4.1346 5.6522 5.6522 6.1562 6.1562 6.6409 6.6409 7.0388 7.0388 7.2587 7.2587 8.4155 8.4155 8.4858 8.4858 8.6008 8.6008 12.4967 12.4967 14.6807 14.6807 14.8290 14.8290 14.9576 14.9576 k = 0.2500 0.1523 0.9611 ( 3056 PWs) bands (ev): -29.7045 -29.7045 -11.0359 -11.0359 -10.6728 -10.6728 -10.6522 -10.6522 1.8712 1.8712 2.1984 2.1984 2.3495 2.3495 4.1334 4.1334 5.6532 5.6532 6.1574 6.1574 6.6408 6.6408 7.0374 7.0374 7.2588 7.2588 8.4339 8.4339 8.4717 8.4717 8.5971 8.5971 12.4931 12.4931 14.6864 14.6864 14.8215 14.8215 14.9589 14.9589 Writing output data file CaSi3Pt.save init_run : 3.92s CPU 13.64s WALL ( 1 calls) electrons : 886.13s CPU 895.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.27s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 886.08s CPU 894.99s WALL ( 1 calls) v_of_rho : 0.07s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.05s WALL ( 1 calls) v_xc : 0.06s CPU 0.60s WALL ( 1 calls) newd : 0.60s CPU 0.77s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 350 calls) cegterg : 854.44s CPU 860.71s WALL ( 1484 calls) Called by sum_band: Called by *egterg: h_psi : 408.66s CPU 423.34s WALL ( 28530 calls) s_psi : 53.72s CPU 55.09s WALL ( 28530 calls) g_psi : 0.60s CPU 0.75s WALL ( 26696 calls) cdiaghg : 292.32s CPU 286.59s WALL ( 27046 calls) cegterg:over : 58.41s CPU 51.43s WALL ( 26696 calls) cegterg:upda : 6.89s CPU 13.01s WALL ( 26696 calls) cegterg:last : 6.69s CPU 8.14s WALL ( 3610 calls) Called by h_psi: h_psi:vloc : 307.85s CPU 321.13s WALL ( 28530 calls) h_psi:vnl : 100.55s CPU 101.22s WALL ( 28530 calls) add_vuspsi : 33.21s CPU 42.99s WALL ( 28530 calls) General routines calbec : 67.26s CPU 58.04s WALL ( 28530 calls) fft : 0.39s CPU 1.11s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 283.68s CPU 291.01s WALL ( 1737772 calls) interpolate : 0.03s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 0.85s WALL ( 700 calls) Parallel routines fft_scatter : 194.80s CPU 195.22s WALL ( 1737795 calls) PWSCF : 15m30.46s CPU 16m47.05s WALL This run was terminated on: 9:47:35 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=