Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 5: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaxCuSx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 50 15 1112 753 125 Max 66 51 16 1114 772 127 Sum 2347 1829 553 40055 27427 4517 bravais-lattice index = 14 lattice parameter (alat) = 13.0433 a.u. unit-cell volume = 651.2622 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.043267 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.839875 celldm(5)= -0.839875 celldm(6)= 0.679750 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.679750 0.733444 0.000000 ) a(3) = ( -0.839875 -0.366722 0.400156 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.926792 1.249512 ) b(2) = ( 0.000000 1.363431 1.249512 ) b(3) = ( 0.000000 0.000000 2.499023 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0219213), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0438425), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0657638), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0876850), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.1096063), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.1315275), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.1534488), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.1753701), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.1972913), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.2192126), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.2411338), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.2630551), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.2849764), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.3068976), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.3288189), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.3507401), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.3726614), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.3945826), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.4165039), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.4384252), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.4603464), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.4822677), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.5041889), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.5261102), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.5480314), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.5699527), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.5918740), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.6137952), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.6357165), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.6576377), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.6795590), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.7014802), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.7234015), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.7453227), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.7672440), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.7891653), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.8110865), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.8330078), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.8549290), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.8768503), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.8987715), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.9206928), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.9426141), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.9645353), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.9864566), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 1.0083778), wk = 0.0028490 k( 48) = ( 0.0000000 0.0000000 1.0302991), wk = 0.0028490 k( 49) = ( 0.0000000 0.0000000 1.0522204), wk = 0.0028490 k( 50) = ( 0.0000000 0.0000000 1.0741416), wk = 0.0028490 k( 51) = ( 0.0000000 0.0000000 1.0960629), wk = 0.0028490 k( 52) = ( 0.0000000 0.0000000 1.1179841), wk = 0.0028490 k( 53) = ( 0.0000000 0.0000000 1.1399054), wk = 0.0028490 k( 54) = ( 0.0000000 0.0000000 1.1618266), wk = 0.0028490 k( 55) = ( 0.0000000 0.0000000 1.1837479), wk = 0.0028490 k( 56) = ( 0.0000000 0.0000000 1.2056692), wk = 0.0028490 k( 57) = ( 0.0000000 0.0000000 1.2275904), wk = 0.0028490 k( 58) = ( 0.0000000 0.0000000 1.2495117), wk = 0.0028490 k( 59) = ( 0.0000000 0.0000000 1.2495117), wk = 0.0028490 k( 60) = ( -0.0079439 0.0181933 1.2495117), wk = 0.0028490 k( 61) = ( -0.0158878 0.0363866 1.2495117), wk = 0.0028490 k( 62) = ( -0.0238317 0.0545799 1.2495117), wk = 0.0028490 k( 63) = ( -0.0317756 0.0727731 1.2495117), wk = 0.0028490 k( 64) = ( -0.0397195 0.0909664 1.2495117), wk = 0.0028490 k( 65) = ( -0.0476634 0.1091597 1.2495117), wk = 0.0028490 k( 66) = ( -0.0476634 0.1091597 1.2495117), wk = 0.0028490 k( 67) = ( -0.0537760 0.1231591 1.2342360), wk = 0.0028490 k( 68) = ( -0.0598887 0.1371584 1.2189603), wk = 0.0028490 k( 69) = ( -0.0660013 0.1511577 1.2036847), wk = 0.0028490 k( 70) = ( -0.0721140 0.1651571 1.1884090), wk = 0.0028490 k( 71) = ( -0.0782267 0.1791564 1.1731333), wk = 0.0028490 k( 72) = ( -0.0843393 0.1931558 1.1578576), wk = 0.0028490 k( 73) = ( -0.0904520 0.2071551 1.1425820), wk = 0.0028490 k( 74) = ( -0.0965646 0.2211545 1.1273063), wk = 0.0028490 k( 75) = ( -0.1026773 0.2351538 1.1120306), wk = 0.0028490 k( 76) = ( -0.1087899 0.2491531 1.0967549), wk = 0.0028490 k( 77) = ( -0.1149026 0.2631525 1.0814793), wk = 0.0028490 k( 78) = ( -0.1210153 0.2771518 1.0662036), wk = 0.0028490 k( 79) = ( -0.1271279 0.2911512 1.0509279), wk = 0.0028490 k( 80) = ( -0.1332406 0.3051505 1.0356523), wk = 0.0028490 k( 81) = ( -0.1393532 0.3191499 1.0203766), wk = 0.0028490 k( 82) = ( -0.1454659 0.3331492 1.0051009), wk = 0.0028490 k( 83) = ( -0.1515785 0.3471485 0.9898252), wk = 0.0028490 k( 84) = ( -0.1576912 0.3611479 0.9745496), wk = 0.0028490 k( 85) = ( -0.1638039 0.3751472 0.9592739), wk = 0.0028490 k( 86) = ( -0.1699165 0.3891466 0.9439982), wk = 0.0028490 k( 87) = ( -0.1760292 0.4031459 0.9287225), wk = 0.0028490 k( 88) = ( -0.1821418 0.4171453 0.9134469), wk = 0.0028490 k( 89) = ( -0.1882545 0.4311446 0.8981712), wk = 0.0028490 k( 90) = ( -0.1943671 0.4451439 0.8828955), wk = 0.0028490 k( 91) = ( -0.2004798 0.4591433 0.8676198), wk = 0.0028490 k( 92) = ( -0.2065925 0.4731426 0.8523442), wk = 0.0028490 k( 93) = ( -0.2127051 0.4871420 0.8370685), wk = 0.0028490 k( 94) = ( -0.2188178 0.5011413 0.8217928), wk = 0.0028490 k( 95) = ( -0.2249304 0.5151407 0.8065172), wk = 0.0028490 k( 96) = ( -0.2310431 0.5291400 0.7912415), wk = 0.0028490 k( 97) = ( -0.2371557 0.5431393 0.7759658), wk = 0.0028490 k( 98) = ( -0.2432684 0.5571387 0.7606901), wk = 0.0028490 k( 99) = ( -0.2493811 0.5711380 0.7454145), wk = 0.0028490 k( 100) = ( -0.2554937 0.5851374 0.7301388), wk = 0.0028490 k( 101) = ( -0.2616064 0.5991367 0.7148631), wk = 0.0028490 k( 102) = ( -0.2677190 0.6131361 0.6995874), wk = 0.0028490 k( 103) = ( -0.2738317 0.6271354 0.6843118), wk = 0.0028490 k( 104) = ( -0.2738317 0.6271354 0.6843118), wk = 0.0028490 k( 105) = ( -0.2677465 0.6131991 0.6691049), wk = 0.0028490 k( 106) = ( -0.2616614 0.5992627 0.6538979), wk = 0.0028490 k( 107) = ( -0.2555762 0.5853264 0.6386910), wk = 0.0028490 k( 108) = ( -0.2494911 0.5713900 0.6234841), wk = 0.0028490 k( 109) = ( -0.2434059 0.5574537 0.6082771), wk = 0.0028490 k( 110) = ( -0.2373208 0.5435173 0.5930702), wk = 0.0028490 k( 111) = ( -0.2312356 0.5295810 0.5778633), wk = 0.0028490 k( 112) = ( -0.2251505 0.5156447 0.5626564), wk = 0.0028490 k( 113) = ( -0.2190653 0.5017083 0.5474494), wk = 0.0028490 k( 114) = ( -0.2129802 0.4877720 0.5322425), wk = 0.0028490 k( 115) = ( -0.2068950 0.4738356 0.5170356), wk = 0.0028490 k( 116) = ( -0.2008099 0.4598993 0.5018286), wk = 0.0028490 k( 117) = ( -0.1947248 0.4459629 0.4866217), wk = 0.0028490 k( 118) = ( -0.1886396 0.4320266 0.4714148), wk = 0.0028490 k( 119) = ( -0.1825545 0.4180903 0.4562079), wk = 0.0028490 k( 120) = ( -0.1764693 0.4041539 0.4410009), wk = 0.0028490 k( 121) = ( -0.1703842 0.3902176 0.4257940), wk = 0.0028490 k( 122) = ( -0.1642990 0.3762812 0.4105871), wk = 0.0028490 k( 123) = ( -0.1582139 0.3623449 0.3953801), wk = 0.0028490 k( 124) = ( -0.1521287 0.3484085 0.3801732), wk = 0.0028490 k( 125) = ( -0.1460436 0.3344722 0.3649663), wk = 0.0028490 k( 126) = ( -0.1399584 0.3205359 0.3497594), wk = 0.0028490 k( 127) = ( -0.1338733 0.3065995 0.3345524), wk = 0.0028490 k( 128) = ( -0.1277881 0.2926632 0.3193455), wk = 0.0028490 k( 129) = ( -0.1217030 0.2787268 0.3041386), wk = 0.0028490 k( 130) = ( -0.1156178 0.2647905 0.2889316), wk = 0.0028490 k( 131) = ( -0.1095327 0.2508542 0.2737247), wk = 0.0028490 k( 132) = ( -0.1034475 0.2369178 0.2585178), wk = 0.0028490 k( 133) = ( -0.0973624 0.2229815 0.2433109), wk = 0.0028490 k( 134) = ( -0.0912772 0.2090451 0.2281039), wk = 0.0028490 k( 135) = ( -0.0851921 0.1951088 0.2128970), wk = 0.0028490 k( 136) = ( -0.0791069 0.1811724 0.1976901), wk = 0.0028490 k( 137) = ( -0.0730218 0.1672361 0.1824831), wk = 0.0028490 k( 138) = ( -0.0669366 0.1532998 0.1672762), wk = 0.0028490 k( 139) = ( -0.0608515 0.1393634 0.1520693), wk = 0.0028490 k( 140) = ( -0.0547663 0.1254271 0.1368624), wk = 0.0028490 k( 141) = ( -0.0486812 0.1114907 0.1216554), wk = 0.0028490 k( 142) = ( -0.0425960 0.0975544 0.1064485), wk = 0.0028490 k( 143) = ( -0.0365109 0.0836181 0.0912416), wk = 0.0028490 k( 144) = ( -0.0304257 0.0696817 0.0760346), wk = 0.0028490 k( 145) = ( -0.0243406 0.0557454 0.0608277), wk = 0.0028490 k( 146) = ( -0.0182554 0.0418090 0.0456208), wk = 0.0028490 k( 147) = ( -0.0121703 0.0278727 0.0304139), wk = 0.0028490 k( 148) = ( -0.0060852 0.0139363 0.0152069), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 151) = ( 0.0200000 0.0087328 -0.0000000), wk = 0.0028490 k( 152) = ( 0.0400000 0.0174656 -0.0000000), wk = 0.0028490 k( 153) = ( 0.0600000 0.0261983 -0.0000000), wk = 0.0028490 k( 154) = ( 0.0800000 0.0349311 -0.0000000), wk = 0.0028490 k( 155) = ( 0.1000000 0.0436639 -0.0000000), wk = 0.0028490 k( 156) = ( 0.1200000 0.0523967 -0.0000000), wk = 0.0028490 k( 157) = ( 0.1400000 0.0611294 -0.0000000), wk = 0.0028490 k( 158) = ( 0.1600000 0.0698622 -0.0000000), wk = 0.0028490 k( 159) = ( 0.1800000 0.0785950 -0.0000000), wk = 0.0028490 k( 160) = ( 0.2000000 0.0873278 -0.0000000), wk = 0.0028490 k( 161) = ( 0.2200000 0.0960605 -0.0000000), wk = 0.0028490 k( 162) = ( 0.2400000 0.1047933 -0.0000000), wk = 0.0028490 k( 163) = ( 0.2600000 0.1135261 -0.0000000), wk = 0.0028490 k( 164) = ( 0.2800000 0.1222589 -0.0000000), wk = 0.0028490 k( 165) = ( 0.3000000 0.1309917 -0.0000000), wk = 0.0028490 k( 166) = ( 0.3200000 0.1397244 -0.0000000), wk = 0.0028490 k( 167) = ( 0.3400000 0.1484572 -0.0000000), wk = 0.0028490 k( 168) = ( 0.3600000 0.1571900 -0.0000000), wk = 0.0028490 k( 169) = ( 0.3800000 0.1659228 -0.0000000), wk = 0.0028490 k( 170) = ( 0.4000000 0.1746555 -0.0000000), wk = 0.0028490 k( 171) = ( 0.4200000 0.1833883 -0.0000000), wk = 0.0028490 k( 172) = ( 0.4400000 0.1921211 -0.0000000), wk = 0.0028490 k( 173) = ( 0.4600000 0.2008539 -0.0000000), wk = 0.0028490 k( 174) = ( 0.4800000 0.2095867 -0.0000000), wk = 0.0028490 k( 175) = ( 0.5000000 0.2183194 -0.0000000), wk = 0.0028490 k( 176) = ( 0.5000000 0.2183194 -0.0000000), wk = 0.0028490 k( 177) = ( 0.4938873 0.2323188 0.0152757), wk = 0.0028490 k( 178) = ( 0.4877747 0.2463181 0.0305513), wk = 0.0028490 k( 179) = ( 0.4816620 0.2603175 0.0458270), wk = 0.0028490 k( 180) = ( 0.4755494 0.2743168 0.0611027), wk = 0.0028490 k( 181) = ( 0.4694367 0.2883162 0.0763784), wk = 0.0028490 k( 182) = ( 0.4633241 0.3023155 0.0916540), wk = 0.0028490 k( 183) = ( 0.4572114 0.3163148 0.1069297), wk = 0.0028490 k( 184) = ( 0.4510987 0.3303142 0.1222054), wk = 0.0028490 k( 185) = ( 0.4449861 0.3443135 0.1374810), wk = 0.0028490 k( 186) = ( 0.4388734 0.3583129 0.1527567), wk = 0.0028490 k( 187) = ( 0.4327608 0.3723122 0.1680324), wk = 0.0028490 k( 188) = ( 0.4266481 0.3863116 0.1833081), wk = 0.0028490 k( 189) = ( 0.4205355 0.4003109 0.1985837), wk = 0.0028490 k( 190) = ( 0.4144228 0.4143102 0.2138594), wk = 0.0028490 k( 191) = ( 0.4083101 0.4283096 0.2291351), wk = 0.0028490 k( 192) = ( 0.4021975 0.4423089 0.2444108), wk = 0.0028490 k( 193) = ( 0.3960848 0.4563083 0.2596864), wk = 0.0028490 k( 194) = ( 0.3899722 0.4703076 0.2749621), wk = 0.0028490 k( 195) = ( 0.3838595 0.4843070 0.2902378), wk = 0.0028490 k( 196) = ( 0.3777469 0.4983063 0.3055135), wk = 0.0028490 k( 197) = ( 0.3716342 0.5123056 0.3207891), wk = 0.0028490 k( 198) = ( 0.3655215 0.5263050 0.3360648), wk = 0.0028490 k( 199) = ( 0.3594089 0.5403043 0.3513405), wk = 0.0028490 k( 200) = ( 0.3532962 0.5543037 0.3666161), wk = 0.0028490 k( 201) = ( 0.3471836 0.5683030 0.3818918), wk = 0.0028490 k( 202) = ( 0.3410709 0.5823024 0.3971675), wk = 0.0028490 k( 203) = ( 0.3349583 0.5963017 0.4124432), wk = 0.0028490 k( 204) = ( 0.3288456 0.6103010 0.4277188), wk = 0.0028490 k( 205) = ( 0.3227329 0.6243004 0.4429945), wk = 0.0028490 k( 206) = ( 0.3166203 0.6382997 0.4582702), wk = 0.0028490 k( 207) = ( 0.3105076 0.6522991 0.4735459), wk = 0.0028490 k( 208) = ( 0.3043950 0.6662984 0.4888215), wk = 0.0028490 k( 209) = ( 0.2982823 0.6802978 0.5040972), wk = 0.0028490 k( 210) = ( 0.2921697 0.6942971 0.5193729), wk = 0.0028490 k( 211) = ( 0.2860570 0.7082964 0.5346486), wk = 0.0028490 k( 212) = ( 0.2799443 0.7222958 0.5499242), wk = 0.0028490 k( 213) = ( 0.2738317 0.7362951 0.5651999), wk = 0.0028490 k( 214) = ( 0.2738317 0.7362951 0.5651999), wk = 0.0028490 k( 215) = ( 0.2527677 0.7320967 0.5697811), wk = 0.0028490 k( 216) = ( 0.2317037 0.7278982 0.5743624), wk = 0.0028490 k( 217) = ( 0.2106398 0.7236998 0.5789436), wk = 0.0028490 k( 218) = ( 0.1895758 0.7195013 0.5835248), wk = 0.0028490 k( 219) = ( 0.1685118 0.7153029 0.5881060), wk = 0.0028490 k( 220) = ( 0.1474478 0.7111044 0.5926873), wk = 0.0028490 k( 221) = ( 0.1263839 0.7069060 0.5972685), wk = 0.0028490 k( 222) = ( 0.1053199 0.7027075 0.6018497), wk = 0.0028490 k( 223) = ( 0.0842559 0.6985091 0.6064309), wk = 0.0028490 k( 224) = ( 0.0631919 0.6943106 0.6110122), wk = 0.0028490 k( 225) = ( 0.0421279 0.6901122 0.6155934), wk = 0.0028490 k( 226) = ( 0.0210640 0.6859137 0.6201746), wk = 0.0028490 k( 227) = ( 0.0000000 0.6817153 0.6247558), wk = 0.0028490 k( 228) = ( 0.0000000 0.6817153 0.6247558), wk = 0.0028490 k( 229) = ( 0.0060976 0.6677505 0.6399938), wk = 0.0028490 k( 230) = ( 0.0121951 0.6537857 0.6552317), wk = 0.0028490 k( 231) = ( 0.0182927 0.6398210 0.6704697), wk = 0.0028490 k( 232) = ( 0.0243902 0.6258562 0.6857076), wk = 0.0028490 k( 233) = ( 0.0304878 0.6118914 0.7009456), wk = 0.0028490 k( 234) = ( 0.0365854 0.5979266 0.7161835), wk = 0.0028490 k( 235) = ( 0.0426829 0.5839619 0.7314215), wk = 0.0028490 k( 236) = ( 0.0487805 0.5699971 0.7466594), wk = 0.0028490 k( 237) = ( 0.0548780 0.5560323 0.7618974), wk = 0.0028490 k( 238) = ( 0.0609756 0.5420676 0.7771353), wk = 0.0028490 k( 239) = ( 0.0670732 0.5281028 0.7923733), wk = 0.0028490 k( 240) = ( 0.0731707 0.5141380 0.8076112), wk = 0.0028490 k( 241) = ( 0.0792683 0.5001733 0.8228491), wk = 0.0028490 k( 242) = ( 0.0853658 0.4862085 0.8380871), wk = 0.0028490 k( 243) = ( 0.0914634 0.4722437 0.8533250), wk = 0.0028490 k( 244) = ( 0.0975610 0.4582789 0.8685630), wk = 0.0028490 k( 245) = ( 0.1036585 0.4443142 0.8838009), wk = 0.0028490 k( 246) = ( 0.1097561 0.4303494 0.8990389), wk = 0.0028490 k( 247) = ( 0.1158537 0.4163846 0.9142768), wk = 0.0028490 k( 248) = ( 0.1219512 0.4024199 0.9295148), wk = 0.0028490 k( 249) = ( 0.1280488 0.3884551 0.9447527), wk = 0.0028490 k( 250) = ( 0.1341463 0.3744903 0.9599907), wk = 0.0028490 k( 251) = ( 0.1402439 0.3605256 0.9752286), wk = 0.0028490 k( 252) = ( 0.1463415 0.3465608 0.9904666), wk = 0.0028490 k( 253) = ( 0.1524390 0.3325960 1.0057045), wk = 0.0028490 k( 254) = ( 0.1585366 0.3186312 1.0209425), wk = 0.0028490 k( 255) = ( 0.1646342 0.3046665 1.0361804), wk = 0.0028490 k( 256) = ( 0.1707317 0.2907017 1.0514184), wk = 0.0028490 k( 257) = ( 0.1768293 0.2767369 1.0666563), wk = 0.0028490 k( 258) = ( 0.1829268 0.2627722 1.0818943), wk = 0.0028490 k( 259) = ( 0.1890244 0.2488074 1.0971322), wk = 0.0028490 k( 260) = ( 0.1951219 0.2348426 1.1123701), wk = 0.0028490 k( 261) = ( 0.2012195 0.2208779 1.1276081), wk = 0.0028490 k( 262) = ( 0.2073171 0.2069131 1.1428460), wk = 0.0028490 k( 263) = ( 0.2134146 0.1929483 1.1580840), wk = 0.0028490 k( 264) = ( 0.2195122 0.1789836 1.1733220), wk = 0.0028490 k( 265) = ( 0.2256098 0.1650188 1.1885599), wk = 0.0028490 k( 266) = ( 0.2317073 0.1510540 1.2037978), wk = 0.0028490 k( 267) = ( 0.2378049 0.1370892 1.2190358), wk = 0.0028490 k( 268) = ( 0.2439024 0.1231245 1.2342737), wk = 0.0028490 k( 269) = ( 0.2500000 0.1091597 1.2495117), wk = 0.0028490 k( 270) = ( 0.2500000 0.1091597 1.2495117), wk = 0.0028490 k( 271) = ( 0.2678571 0.1169568 1.2410037), wk = 0.0028490 k( 272) = ( 0.2857143 0.1247540 1.2324957), wk = 0.0028490 k( 273) = ( 0.3035714 0.1325511 1.2239877), wk = 0.0028490 k( 274) = ( 0.3214286 0.1403482 1.2154797), wk = 0.0028490 k( 275) = ( 0.3392857 0.1481453 1.2069717), wk = 0.0028490 k( 276) = ( 0.3571429 0.1559425 1.1984637), wk = 0.0028490 k( 277) = ( 0.3750000 0.1637396 1.1899557), wk = 0.0028490 k( 278) = ( 0.3928571 0.1715367 1.1814477), wk = 0.0028490 k( 279) = ( 0.4107143 0.1793338 1.1729397), wk = 0.0028490 k( 280) = ( 0.4285714 0.1871309 1.1644318), wk = 0.0028490 k( 281) = ( 0.4464286 0.1949281 1.1559238), wk = 0.0028490 k( 282) = ( 0.4642857 0.2027252 1.1474158), wk = 0.0028490 k( 283) = ( 0.4821429 0.2105223 1.1389078), wk = 0.0028490 k( 284) = ( 0.5000000 0.2183194 1.1303998), wk = 0.0028490 k( 285) = ( 0.5000000 0.2183194 1.1303998), wk = 0.0028490 k( 286) = ( 0.5000000 0.2183194 1.1086613), wk = 0.0028490 k( 287) = ( 0.5000000 0.2183194 1.0869229), wk = 0.0028490 k( 288) = ( 0.5000000 0.2183194 1.0651844), wk = 0.0028490 k( 289) = ( 0.5000000 0.2183194 1.0434460), wk = 0.0028490 k( 290) = ( 0.5000000 0.2183194 1.0217075), wk = 0.0028490 k( 291) = ( 0.5000000 0.2183194 0.9999690), wk = 0.0028490 k( 292) = ( 0.5000000 0.2183194 0.9782306), wk = 0.0028490 k( 293) = ( 0.5000000 0.2183194 0.9564921), wk = 0.0028490 k( 294) = ( 0.5000000 0.2183194 0.9347537), wk = 0.0028490 k( 295) = ( 0.5000000 0.2183194 0.9130152), wk = 0.0028490 k( 296) = ( 0.5000000 0.2183194 0.8912768), wk = 0.0028490 k( 297) = ( 0.5000000 0.2183194 0.8695383), wk = 0.0028490 k( 298) = ( 0.5000000 0.2183194 0.8477998), wk = 0.0028490 k( 299) = ( 0.5000000 0.2183194 0.8260614), wk = 0.0028490 k( 300) = ( 0.5000000 0.2183194 0.8043229), wk = 0.0028490 k( 301) = ( 0.5000000 0.2183194 0.7825845), wk = 0.0028490 k( 302) = ( 0.5000000 0.2183194 0.7608460), wk = 0.0028490 k( 303) = ( 0.5000000 0.2183194 0.7391075), wk = 0.0028490 k( 304) = ( 0.5000000 0.2183194 0.7173691), wk = 0.0028490 k( 305) = ( 0.5000000 0.2183194 0.6956306), wk = 0.0028490 k( 306) = ( 0.5000000 0.2183194 0.6738922), wk = 0.0028490 k( 307) = ( 0.5000000 0.2183194 0.6521537), wk = 0.0028490 k( 308) = ( 0.5000000 0.2183194 0.6304153), wk = 0.0028490 k( 309) = ( 0.5000000 0.2183194 0.6086768), wk = 0.0028490 k( 310) = ( 0.5000000 0.2183194 0.5869383), wk = 0.0028490 k( 311) = ( 0.5000000 0.2183194 0.5651999), wk = 0.0028490 k( 312) = ( 0.5000000 0.2183194 0.5434614), wk = 0.0028490 k( 313) = ( 0.5000000 0.2183194 0.5217230), wk = 0.0028490 k( 314) = ( 0.5000000 0.2183194 0.4999845), wk = 0.0028490 k( 315) = ( 0.5000000 0.2183194 0.4782461), wk = 0.0028490 k( 316) = ( 0.5000000 0.2183194 0.4565076), wk = 0.0028490 k( 317) = ( 0.5000000 0.2183194 0.4347692), wk = 0.0028490 k( 318) = ( 0.5000000 0.2183194 0.4130307), wk = 0.0028490 k( 319) = ( 0.5000000 0.2183194 0.3912922), wk = 0.0028490 k( 320) = ( 0.5000000 0.2183194 0.3695538), wk = 0.0028490 k( 321) = ( 0.5000000 0.2183194 0.3478153), wk = 0.0028490 k( 322) = ( 0.5000000 0.2183194 0.3260769), wk = 0.0028490 k( 323) = ( 0.5000000 0.2183194 0.3043384), wk = 0.0028490 k( 324) = ( 0.5000000 0.2183194 0.2826000), wk = 0.0028490 k( 325) = ( 0.5000000 0.2183194 0.2608615), wk = 0.0028490 k( 326) = ( 0.5000000 0.2183194 0.2391230), wk = 0.0028490 k( 327) = ( 0.5000000 0.2183194 0.2173846), wk = 0.0028490 k( 328) = ( 0.5000000 0.2183194 0.1956461), wk = 0.0028490 k( 329) = ( 0.5000000 0.2183194 0.1739077), wk = 0.0028490 k( 330) = ( 0.5000000 0.2183194 0.1521692), wk = 0.0028490 k( 331) = ( 0.5000000 0.2183194 0.1304308), wk = 0.0028490 k( 332) = ( 0.5000000 0.2183194 0.1086923), wk = 0.0028490 k( 333) = ( 0.5000000 0.2183194 0.0869538), wk = 0.0028490 k( 334) = ( 0.5000000 0.2183194 0.0652154), wk = 0.0028490 k( 335) = ( 0.5000000 0.2183194 0.0434769), wk = 0.0028490 k( 336) = ( 0.5000000 0.2183194 0.0217385), wk = 0.0028490 k( 337) = ( 0.5000000 0.2183194 -0.0000000), wk = 0.0028490 k( 338) = ( 0.0000000 0.0000000 1.2495117), wk = 0.0028490 k( 339) = ( 0.0192308 0.0083969 1.2495117), wk = 0.0028490 k( 340) = ( 0.0384615 0.0167938 1.2495117), wk = 0.0028490 k( 341) = ( 0.0576923 0.0251907 1.2495117), wk = 0.0028490 k( 342) = ( 0.0769231 0.0335876 1.2495117), wk = 0.0028490 k( 343) = ( 0.0961538 0.0419845 1.2495117), wk = 0.0028490 k( 344) = ( 0.1153846 0.0503814 1.2495117), wk = 0.0028490 k( 345) = ( 0.1346154 0.0587783 1.2495117), wk = 0.0028490 k( 346) = ( 0.1538461 0.0671752 1.2495117), wk = 0.0028490 k( 347) = ( 0.1730769 0.0755721 1.2495117), wk = 0.0028490 k( 348) = ( 0.1923077 0.0839690 1.2495117), wk = 0.0028490 k( 349) = ( 0.2115385 0.0923659 1.2495117), wk = 0.0028490 k( 350) = ( 0.2307692 0.1007628 1.2495117), wk = 0.0028490 k( 351) = ( 0.2500000 0.1091597 1.2495117), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0000000 0.0000000 0.0087719), wk = 0.0028490 k( 3) = ( 0.0000000 0.0000000 0.0175439), wk = 0.0028490 k( 4) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028490 k( 5) = ( 0.0000000 0.0000000 0.0350877), wk = 0.0028490 k( 6) = ( 0.0000000 0.0000000 0.0438597), wk = 0.0028490 k( 7) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028490 k( 8) = ( 0.0000000 0.0000000 0.0614035), wk = 0.0028490 k( 9) = ( 0.0000000 0.0000000 0.0701754), wk = 0.0028490 k( 10) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028490 k( 11) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0028490 k( 12) = ( 0.0000000 0.0000000 0.0964912), wk = 0.0028490 k( 13) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028490 k( 14) = ( 0.0000000 0.0000000 0.1140351), wk = 0.0028490 k( 15) = ( 0.0000000 0.0000000 0.1228070), wk = 0.0028490 k( 16) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028490 k( 17) = ( 0.0000000 0.0000000 0.1403509), wk = 0.0028490 k( 18) = ( 0.0000000 0.0000000 0.1491228), wk = 0.0028490 k( 19) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028490 k( 20) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028490 k( 21) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0028490 k( 22) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028490 k( 23) = ( 0.0000000 0.0000000 0.1929825), wk = 0.0028490 k( 24) = ( 0.0000000 0.0000000 0.2017544), wk = 0.0028490 k( 25) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028490 k( 26) = ( 0.0000000 0.0000000 0.2192983), wk = 0.0028490 k( 27) = ( 0.0000000 0.0000000 0.2280702), wk = 0.0028490 k( 28) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028490 k( 29) = ( 0.0000000 0.0000000 0.2456140), wk = 0.0028490 k( 30) = ( 0.0000000 0.0000000 0.2543860), wk = 0.0028490 k( 31) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028490 k( 32) = ( 0.0000000 0.0000000 0.2719298), wk = 0.0028490 k( 33) = ( 0.0000000 0.0000000 0.2807018), wk = 0.0028490 k( 34) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028490 k( 35) = ( 0.0000000 0.0000000 0.2982456), wk = 0.0028490 k( 36) = ( 0.0000000 0.0000000 0.3070175), wk = 0.0028490 k( 37) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028490 k( 38) = ( 0.0000000 0.0000000 0.3245614), wk = 0.0028490 k( 39) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028490 k( 40) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028490 k( 41) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0028490 k( 42) = ( 0.0000000 0.0000000 0.3596491), wk = 0.0028490 k( 43) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028490 k( 44) = ( 0.0000000 0.0000000 0.3771930), wk = 0.0028490 k( 45) = ( 0.0000000 0.0000000 0.3859649), wk = 0.0028490 k( 46) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028490 k( 47) = ( 0.0000000 0.0000000 0.4035088), wk = 0.0028490 k( 48) = ( 0.0000000 0.0000000 0.4122807), wk = 0.0028490 k( 49) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028490 k( 50) = ( 0.0000000 0.0000000 0.4298246), wk = 0.0028490 k( 51) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0028490 k( 52) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028490 k( 53) = ( 0.0000000 0.0000000 0.4561404), wk = 0.0028490 k( 54) = ( 0.0000000 0.0000000 0.4649123), wk = 0.0028490 k( 55) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028490 k( 56) = ( 0.0000000 0.0000000 0.4824561), wk = 0.0028490 k( 57) = ( 0.0000000 0.0000000 0.4912281), wk = 0.0028490 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 60) = ( -0.0079439 0.0079439 0.5000000), wk = 0.0028490 k( 61) = ( -0.0158878 0.0158878 0.5000000), wk = 0.0028490 k( 62) = ( -0.0238317 0.0238317 0.5000000), wk = 0.0028490 k( 63) = ( -0.0317756 0.0317756 0.5000000), wk = 0.0028490 k( 64) = ( -0.0397195 0.0397195 0.5000000), wk = 0.0028490 k( 65) = ( -0.0476634 0.0476634 0.5000000), wk = 0.0028490 k( 66) = ( -0.0476634 0.0476634 0.5000000), wk = 0.0028490 k( 67) = ( -0.0537760 0.0537760 0.4938873), wk = 0.0028490 k( 68) = ( -0.0598887 0.0598887 0.4877747), wk = 0.0028490 k( 69) = ( -0.0660013 0.0660013 0.4816620), wk = 0.0028490 k( 70) = ( -0.0721140 0.0721140 0.4755494), wk = 0.0028490 k( 71) = ( -0.0782267 0.0782267 0.4694367), wk = 0.0028490 k( 72) = ( -0.0843393 0.0843393 0.4633241), wk = 0.0028490 k( 73) = ( -0.0904520 0.0904520 0.4572114), wk = 0.0028490 k( 74) = ( -0.0965646 0.0965646 0.4510987), wk = 0.0028490 k( 75) = ( -0.1026773 0.1026773 0.4449861), wk = 0.0028490 k( 76) = ( -0.1087899 0.1087899 0.4388734), wk = 0.0028490 k( 77) = ( -0.1149026 0.1149026 0.4327608), wk = 0.0028490 k( 78) = ( -0.1210153 0.1210153 0.4266481), wk = 0.0028490 k( 79) = ( -0.1271279 0.1271279 0.4205355), wk = 0.0028490 k( 80) = ( -0.1332406 0.1332406 0.4144228), wk = 0.0028490 k( 81) = ( -0.1393532 0.1393532 0.4083101), wk = 0.0028490 k( 82) = ( -0.1454659 0.1454659 0.4021975), wk = 0.0028490 k( 83) = ( -0.1515785 0.1515785 0.3960848), wk = 0.0028490 k( 84) = ( -0.1576912 0.1576912 0.3899722), wk = 0.0028490 k( 85) = ( -0.1638039 0.1638039 0.3838595), wk = 0.0028490 k( 86) = ( -0.1699165 0.1699165 0.3777469), wk = 0.0028490 k( 87) = ( -0.1760292 0.1760292 0.3716342), wk = 0.0028490 k( 88) = ( -0.1821418 0.1821418 0.3655215), wk = 0.0028490 k( 89) = ( -0.1882545 0.1882545 0.3594089), wk = 0.0028490 k( 90) = ( -0.1943671 0.1943671 0.3532962), wk = 0.0028490 k( 91) = ( -0.2004798 0.2004798 0.3471836), wk = 0.0028490 k( 92) = ( -0.2065925 0.2065925 0.3410709), wk = 0.0028490 k( 93) = ( -0.2127051 0.2127051 0.3349583), wk = 0.0028490 k( 94) = ( -0.2188178 0.2188178 0.3288456), wk = 0.0028490 k( 95) = ( -0.2249304 0.2249304 0.3227329), wk = 0.0028490 k( 96) = ( -0.2310431 0.2310431 0.3166203), wk = 0.0028490 k( 97) = ( -0.2371557 0.2371557 0.3105076), wk = 0.0028490 k( 98) = ( -0.2432684 0.2432684 0.3043950), wk = 0.0028490 k( 99) = ( -0.2493811 0.2493811 0.2982823), wk = 0.0028490 k( 100) = ( -0.2554937 0.2554937 0.2921697), wk = 0.0028490 k( 101) = ( -0.2616064 0.2616064 0.2860570), wk = 0.0028490 k( 102) = ( -0.2677190 0.2677190 0.2799443), wk = 0.0028490 k( 103) = ( -0.2738317 0.2738317 0.2738317), wk = 0.0028490 k( 104) = ( -0.2738317 0.2738317 0.2738317), wk = 0.0028490 k( 105) = ( -0.2677465 0.2677465 0.2677465), wk = 0.0028490 k( 106) = ( -0.2616614 0.2616614 0.2616614), wk = 0.0028490 k( 107) = ( -0.2555762 0.2555762 0.2555762), wk = 0.0028490 k( 108) = ( -0.2494911 0.2494911 0.2494911), wk = 0.0028490 k( 109) = ( -0.2434059 0.2434059 0.2434059), wk = 0.0028490 k( 110) = ( -0.2373208 0.2373208 0.2373208), wk = 0.0028490 k( 111) = ( -0.2312356 0.2312357 0.2312356), wk = 0.0028490 k( 112) = ( -0.2251505 0.2251505 0.2251505), wk = 0.0028490 k( 113) = ( -0.2190653 0.2190654 0.2190653), wk = 0.0028490 k( 114) = ( -0.2129802 0.2129802 0.2129802), wk = 0.0028490 k( 115) = ( -0.2068950 0.2068951 0.2068950), wk = 0.0028490 k( 116) = ( -0.2008099 0.2008099 0.2008099), wk = 0.0028490 k( 117) = ( -0.1947248 0.1947247 0.1947248), wk = 0.0028490 k( 118) = ( -0.1886396 0.1886396 0.1886396), wk = 0.0028490 k( 119) = ( -0.1825545 0.1825545 0.1825545), wk = 0.0028490 k( 120) = ( -0.1764693 0.1764693 0.1764693), wk = 0.0028490 k( 121) = ( -0.1703842 0.1703842 0.1703842), wk = 0.0028490 k( 122) = ( -0.1642990 0.1642990 0.1642990), wk = 0.0028490 k( 123) = ( -0.1582139 0.1582139 0.1582139), wk = 0.0028490 k( 124) = ( -0.1521287 0.1521287 0.1521287), wk = 0.0028490 k( 125) = ( -0.1460436 0.1460436 0.1460436), wk = 0.0028490 k( 126) = ( -0.1399584 0.1399584 0.1399584), wk = 0.0028490 k( 127) = ( -0.1338733 0.1338733 0.1338733), wk = 0.0028490 k( 128) = ( -0.1277881 0.1277881 0.1277881), wk = 0.0028490 k( 129) = ( -0.1217030 0.1217030 0.1217030), wk = 0.0028490 k( 130) = ( -0.1156178 0.1156178 0.1156178), wk = 0.0028490 k( 131) = ( -0.1095327 0.1095327 0.1095327), wk = 0.0028490 k( 132) = ( -0.1034475 0.1034475 0.1034475), wk = 0.0028490 k( 133) = ( -0.0973624 0.0973624 0.0973624), wk = 0.0028490 k( 134) = ( -0.0912772 0.0912772 0.0912772), wk = 0.0028490 k( 135) = ( -0.0851921 0.0851921 0.0851921), wk = 0.0028490 k( 136) = ( -0.0791069 0.0791069 0.0791069), wk = 0.0028490 k( 137) = ( -0.0730218 0.0730218 0.0730218), wk = 0.0028490 k( 138) = ( -0.0669366 0.0669366 0.0669366), wk = 0.0028490 k( 139) = ( -0.0608515 0.0608515 0.0608515), wk = 0.0028490 k( 140) = ( -0.0547663 0.0547663 0.0547663), wk = 0.0028490 k( 141) = ( -0.0486812 0.0486812 0.0486812), wk = 0.0028490 k( 142) = ( -0.0425960 0.0425960 0.0425960), wk = 0.0028490 k( 143) = ( -0.0365109 0.0365109 0.0365109), wk = 0.0028490 k( 144) = ( -0.0304257 0.0304257 0.0304257), wk = 0.0028490 k( 145) = ( -0.0243406 0.0243406 0.0243406), wk = 0.0028490 k( 146) = ( -0.0182554 0.0182555 0.0182554), wk = 0.0028490 k( 147) = ( -0.0121703 0.0121703 0.0121703), wk = 0.0028490 k( 148) = ( -0.0060852 0.0060852 0.0060852), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 151) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0028490 k( 152) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0028490 k( 153) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0028490 k( 154) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0028490 k( 155) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0028490 k( 156) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0028490 k( 157) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0028490 k( 158) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0028490 k( 159) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0028490 k( 160) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0028490 k( 161) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0028490 k( 162) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0028490 k( 163) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0028490 k( 164) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0028490 k( 165) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0028490 k( 166) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0028490 k( 167) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0028490 k( 168) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0028490 k( 169) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0028490 k( 170) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0028490 k( 171) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0028490 k( 172) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0028490 k( 173) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0028490 k( 174) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0028490 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 177) = ( 0.4938873 0.5061127 -0.4938873), wk = 0.0028490 k( 178) = ( 0.4877747 0.5122253 -0.4877747), wk = 0.0028490 k( 179) = ( 0.4816620 0.5183380 -0.4816620), wk = 0.0028490 k( 180) = ( 0.4755494 0.5244506 -0.4755494), wk = 0.0028490 k( 181) = ( 0.4694367 0.5305633 -0.4694367), wk = 0.0028490 k( 182) = ( 0.4633241 0.5366759 -0.4633241), wk = 0.0028490 k( 183) = ( 0.4572114 0.5427886 -0.4572114), wk = 0.0028490 k( 184) = ( 0.4510987 0.5489013 -0.4510987), wk = 0.0028490 k( 185) = ( 0.4449861 0.5550139 -0.4449861), wk = 0.0028490 k( 186) = ( 0.4388734 0.5611266 -0.4388734), wk = 0.0028490 k( 187) = ( 0.4327608 0.5672392 -0.4327608), wk = 0.0028490 k( 188) = ( 0.4266481 0.5733519 -0.4266481), wk = 0.0028490 k( 189) = ( 0.4205355 0.5794645 -0.4205355), wk = 0.0028490 k( 190) = ( 0.4144228 0.5855772 -0.4144228), wk = 0.0028490 k( 191) = ( 0.4083101 0.5916899 -0.4083101), wk = 0.0028490 k( 192) = ( 0.4021975 0.5978025 -0.4021975), wk = 0.0028490 k( 193) = ( 0.3960848 0.6039152 -0.3960848), wk = 0.0028490 k( 194) = ( 0.3899722 0.6100278 -0.3899722), wk = 0.0028490 k( 195) = ( 0.3838595 0.6161405 -0.3838595), wk = 0.0028490 k( 196) = ( 0.3777469 0.6222531 -0.3777469), wk = 0.0028490 k( 197) = ( 0.3716342 0.6283658 -0.3716342), wk = 0.0028490 k( 198) = ( 0.3655215 0.6344785 -0.3655215), wk = 0.0028490 k( 199) = ( 0.3594089 0.6405911 -0.3594089), wk = 0.0028490 k( 200) = ( 0.3532962 0.6467038 -0.3532962), wk = 0.0028490 k( 201) = ( 0.3471836 0.6528164 -0.3471836), wk = 0.0028490 k( 202) = ( 0.3410709 0.6589291 -0.3410709), wk = 0.0028490 k( 203) = ( 0.3349583 0.6650417 -0.3349583), wk = 0.0028490 k( 204) = ( 0.3288456 0.6711544 -0.3288456), wk = 0.0028490 k( 205) = ( 0.3227329 0.6772671 -0.3227329), wk = 0.0028490 k( 206) = ( 0.3166203 0.6833797 -0.3166203), wk = 0.0028490 k( 207) = ( 0.3105076 0.6894924 -0.3105076), wk = 0.0028490 k( 208) = ( 0.3043950 0.6956050 -0.3043950), wk = 0.0028490 k( 209) = ( 0.2982823 0.7017177 -0.2982823), wk = 0.0028490 k( 210) = ( 0.2921697 0.7078303 -0.2921697), wk = 0.0028490 k( 211) = ( 0.2860570 0.7139430 -0.2860570), wk = 0.0028490 k( 212) = ( 0.2799443 0.7200557 -0.2799443), wk = 0.0028490 k( 213) = ( 0.2738317 0.7261683 -0.2738317), wk = 0.0028490 k( 214) = ( 0.2738317 0.7261683 -0.2738317), wk = 0.0028490 k( 215) = ( 0.2527677 0.7087708 -0.2527677), wk = 0.0028490 k( 216) = ( 0.2317037 0.6913732 -0.2317037), wk = 0.0028490 k( 217) = ( 0.2106398 0.6739756 -0.2106398), wk = 0.0028490 k( 218) = ( 0.1895758 0.6565781 -0.1895758), wk = 0.0028490 k( 219) = ( 0.1685118 0.6391805 -0.1685118), wk = 0.0028490 k( 220) = ( 0.1474478 0.6217829 -0.1474478), wk = 0.0028490 k( 221) = ( 0.1263839 0.6043854 -0.1263839), wk = 0.0028490 k( 222) = ( 0.1053199 0.5869878 -0.1053199), wk = 0.0028490 k( 223) = ( 0.0842559 0.5695902 -0.0842559), wk = 0.0028490 k( 224) = ( 0.0631919 0.5521927 -0.0631919), wk = 0.0028490 k( 225) = ( 0.0421279 0.5347951 -0.0421280), wk = 0.0028490 k( 226) = ( 0.0210640 0.5173976 -0.0210640), wk = 0.0028490 k( 227) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 228) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028490 k( 229) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0028490 k( 230) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0028490 k( 231) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0028490 k( 232) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0028490 k( 233) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0028490 k( 234) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0028490 k( 235) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0028490 k( 236) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0028490 k( 237) = ( 0.0548780 0.4451219 0.0548781), wk = 0.0028490 k( 238) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0028490 k( 239) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0028490 k( 240) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0028490 k( 241) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0028490 k( 242) = ( 0.0853658 0.4146342 0.0853658), wk = 0.0028490 k( 243) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0028490 k( 244) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0028490 k( 245) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0028490 k( 246) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0028490 k( 247) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0028490 k( 248) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0028490 k( 249) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0028490 k( 250) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0028490 k( 251) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0028490 k( 252) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0028490 k( 253) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0028490 k( 254) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0028490 k( 255) = ( 0.1646342 0.3353659 0.1646342), wk = 0.0028490 k( 256) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0028490 k( 257) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0028490 k( 258) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0028490 k( 259) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0028490 k( 260) = ( 0.1951219 0.3048781 0.1951219), wk = 0.0028490 k( 261) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0028490 k( 262) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0028490 k( 263) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0028490 k( 264) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0028490 k( 265) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0028490 k( 266) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0028490 k( 267) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0028490 k( 268) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0028490 k( 269) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 k( 271) = ( 0.2678571 0.2678571 0.2287383), wk = 0.0028490 k( 272) = ( 0.2857143 0.2857143 0.2074767), wk = 0.0028490 k( 273) = ( 0.3035714 0.3035714 0.1862150), wk = 0.0028490 k( 274) = ( 0.3214286 0.3214286 0.1649533), wk = 0.0028490 k( 275) = ( 0.3392857 0.3392857 0.1436916), wk = 0.0028490 k( 276) = ( 0.3571429 0.3571429 0.1224300), wk = 0.0028490 k( 277) = ( 0.3750000 0.3750000 0.1011683), wk = 0.0028490 k( 278) = ( 0.3928571 0.3928571 0.0799066), wk = 0.0028490 k( 279) = ( 0.4107143 0.4107143 0.0586450), wk = 0.0028490 k( 280) = ( 0.4285714 0.4285714 0.0373833), wk = 0.0028490 k( 281) = ( 0.4464286 0.4464286 0.0161216), wk = 0.0028490 k( 282) = ( 0.4642857 0.4642857 -0.0051400), wk = 0.0028490 k( 283) = ( 0.4821429 0.4821429 -0.0264017), wk = 0.0028490 k( 284) = ( 0.5000000 0.5000000 -0.0476634), wk = 0.0028490 k( 285) = ( 0.5000000 0.5000000 -0.0476634), wk = 0.0028490 k( 286) = ( 0.5000000 0.5000000 -0.0563622), wk = 0.0028490 k( 287) = ( 0.5000000 0.5000000 -0.0650609), wk = 0.0028490 k( 288) = ( 0.5000000 0.5000000 -0.0737597), wk = 0.0028490 k( 289) = ( 0.5000000 0.5000000 -0.0824585), wk = 0.0028490 k( 290) = ( 0.5000000 0.5000000 -0.0911573), wk = 0.0028490 k( 291) = ( 0.5000000 0.5000000 -0.0998561), wk = 0.0028490 k( 292) = ( 0.5000000 0.5000000 -0.1085548), wk = 0.0028490 k( 293) = ( 0.5000000 0.5000000 -0.1172536), wk = 0.0028490 k( 294) = ( 0.5000000 0.5000000 -0.1259524), wk = 0.0028490 k( 295) = ( 0.5000000 0.5000000 -0.1346512), wk = 0.0028490 k( 296) = ( 0.5000000 0.5000000 -0.1433500), wk = 0.0028490 k( 297) = ( 0.5000000 0.5000000 -0.1520488), wk = 0.0028490 k( 298) = ( 0.5000000 0.5000000 -0.1607475), wk = 0.0028490 k( 299) = ( 0.5000000 0.5000000 -0.1694463), wk = 0.0028490 k( 300) = ( 0.5000000 0.5000000 -0.1781451), wk = 0.0028490 k( 301) = ( 0.5000000 0.5000000 -0.1868439), wk = 0.0028490 k( 302) = ( 0.5000000 0.5000000 -0.1955427), wk = 0.0028490 k( 303) = ( 0.5000000 0.5000000 -0.2042414), wk = 0.0028490 k( 304) = ( 0.5000000 0.5000000 -0.2129402), wk = 0.0028490 k( 305) = ( 0.5000000 0.5000000 -0.2216390), wk = 0.0028490 k( 306) = ( 0.5000000 0.5000000 -0.2303378), wk = 0.0028490 k( 307) = ( 0.5000000 0.5000000 -0.2390366), wk = 0.0028490 k( 308) = ( 0.5000000 0.5000000 -0.2477353), wk = 0.0028490 k( 309) = ( 0.5000000 0.5000000 -0.2564341), wk = 0.0028490 k( 310) = ( 0.5000000 0.5000000 -0.2651329), wk = 0.0028490 k( 311) = ( 0.5000000 0.5000000 -0.2738317), wk = 0.0028490 k( 312) = ( 0.5000000 0.5000000 -0.2825305), wk = 0.0028490 k( 313) = ( 0.5000000 0.5000000 -0.2912293), wk = 0.0028490 k( 314) = ( 0.5000000 0.5000000 -0.2999280), wk = 0.0028490 k( 315) = ( 0.5000000 0.5000000 -0.3086268), wk = 0.0028490 k( 316) = ( 0.5000000 0.5000000 -0.3173256), wk = 0.0028490 k( 317) = ( 0.5000000 0.5000000 -0.3260244), wk = 0.0028490 k( 318) = ( 0.5000000 0.5000000 -0.3347232), wk = 0.0028490 k( 319) = ( 0.5000000 0.5000000 -0.3434219), wk = 0.0028490 k( 320) = ( 0.5000000 0.5000000 -0.3521207), wk = 0.0028490 k( 321) = ( 0.5000000 0.5000000 -0.3608195), wk = 0.0028490 k( 322) = ( 0.5000000 0.5000000 -0.3695183), wk = 0.0028490 k( 323) = ( 0.5000000 0.5000000 -0.3782171), wk = 0.0028490 k( 324) = ( 0.5000000 0.5000000 -0.3869158), wk = 0.0028490 k( 325) = ( 0.5000000 0.5000000 -0.3956146), wk = 0.0028490 k( 326) = ( 0.5000000 0.5000000 -0.4043134), wk = 0.0028490 k( 327) = ( 0.5000000 0.5000000 -0.4130122), wk = 0.0028490 k( 328) = ( 0.5000000 0.5000000 -0.4217110), wk = 0.0028490 k( 329) = ( 0.5000000 0.5000000 -0.4304098), wk = 0.0028490 k( 330) = ( 0.5000000 0.5000000 -0.4391085), wk = 0.0028490 k( 331) = ( 0.5000000 0.5000000 -0.4478073), wk = 0.0028490 k( 332) = ( 0.5000000 0.5000000 -0.4565061), wk = 0.0028490 k( 333) = ( 0.5000000 0.5000000 -0.4652049), wk = 0.0028490 k( 334) = ( 0.5000000 0.5000000 -0.4739037), wk = 0.0028490 k( 335) = ( 0.5000000 0.5000000 -0.4826024), wk = 0.0028490 k( 336) = ( 0.5000000 0.5000000 -0.4913012), wk = 0.0028490 k( 337) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028490 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 339) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0028490 k( 340) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0028490 k( 341) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0028490 k( 342) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0028490 k( 343) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0028490 k( 344) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0028490 k( 345) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0028490 k( 346) = ( 0.1538461 0.1538462 0.3461538), wk = 0.0028490 k( 347) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0028490 k( 348) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0028490 k( 349) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0028490 k( 350) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0028490 k( 351) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028490 Dense grid: 40055 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 27427 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 200, 52) NL pseudopotentials 0.26 Mb ( 100, 171) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1113) G-vector shells 0.00 Mb ( 519) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 200, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 171, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaxCuSx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.5 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.0 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.0 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.3 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.1 secs Computing kpt #: 20 total cpu time spent up to now is 16.8 secs Computing kpt #: 21 total cpu time spent up to now is 17.4 secs Computing kpt #: 22 total cpu time spent up to now is 18.1 secs Computing kpt #: 23 total cpu time spent up to now is 18.7 secs Computing kpt #: 24 total cpu time spent up to now is 19.4 secs Computing kpt #: 25 total cpu time spent up to now is 20.1 secs Computing kpt #: 26 total cpu time spent up to now is 20.8 secs Computing kpt #: 27 total cpu time spent up to now is 21.5 secs Computing kpt #: 28 total cpu time spent up to now is 22.1 secs Computing kpt #: 29 total cpu time spent up to now is 22.8 secs Computing kpt #: 30 total cpu time spent up to now is 23.4 secs Computing kpt #: 31 total cpu time spent up to now is 24.0 secs Computing kpt #: 32 total cpu time spent up to now is 24.7 secs Computing kpt #: 33 total cpu time spent up to now is 25.4 secs Computing kpt #: 34 total cpu time spent up to now is 26.1 secs Computing kpt #: 35 total cpu time spent up to now is 26.7 secs Computing kpt #: 36 total cpu time spent up to now is 27.4 secs Computing kpt #: 37 total cpu time spent up to now is 28.0 secs Computing kpt #: 38 total cpu time spent up to now is 28.6 secs Computing kpt #: 39 total cpu time spent up to now is 29.2 secs Computing kpt #: 40 total cpu time spent up to now is 29.9 secs Computing kpt #: 41 total cpu time spent up to now is 30.5 secs Computing kpt #: 42 total cpu time spent up to now is 31.1 secs Computing kpt #: 43 total cpu time spent up to now is 31.7 secs Computing kpt #: 44 total cpu time spent up to now is 32.3 secs Computing kpt #: 45 total cpu time spent up to now is 32.9 secs Computing kpt #: 46 total cpu time spent up to now is 33.5 secs Computing kpt #: 47 total cpu time spent up to now is 34.1 secs Computing kpt #: 48 total cpu time spent up to now is 34.7 secs Computing kpt #: 49 total cpu time spent up to now is 35.3 secs Computing kpt #: 50 total cpu time spent up to now is 35.8 secs Computing kpt #: 51 total cpu time spent up to now is 36.4 secs Computing kpt #: 52 total cpu time spent up to now is 37.0 secs Computing kpt #: 53 total cpu time spent up to now is 37.7 secs Computing kpt #: 54 total cpu time spent up to now is 38.3 secs Computing kpt #: 55 total cpu time spent up to now is 38.9 secs Computing kpt #: 56 total cpu time spent up to now is 39.5 secs Computing kpt #: 57 total cpu time spent up to now is 40.1 secs Computing kpt #: 58 total cpu time spent up to now is 40.7 secs Computing kpt #: 59 total cpu time spent up to now is 41.3 secs Computing kpt #: 60 total cpu time spent up to now is 41.9 secs Computing kpt #: 61 total cpu time spent up to now is 42.5 secs Computing kpt #: 62 total cpu time spent up to now is 43.1 secs Computing kpt #: 63 total cpu time spent up to now is 43.7 secs Computing kpt #: 64 total cpu time spent up to now is 44.3 secs Computing kpt #: 65 total cpu time spent up to now is 44.9 secs Computing kpt #: 66 total cpu time spent up to now is 45.5 secs Computing kpt #: 67 total cpu time spent up to now is 46.2 secs Computing kpt #: 68 total cpu time spent up to now is 46.8 secs Computing kpt #: 69 total cpu time spent up to now is 47.4 secs Computing kpt #: 70 total cpu time spent up to now is 48.1 secs Computing kpt #: 71 total cpu time spent up to now is 48.7 secs Computing kpt #: 72 total cpu time spent up to now is 49.3 secs Computing kpt #: 73 total cpu time spent up to now is 50.0 secs Computing kpt #: 74 total cpu time spent up to now is 50.6 secs Computing kpt #: 75 total cpu time spent up to now is 51.2 secs Computing kpt #: 76 total cpu time spent up to now is 51.8 secs Computing kpt #: 77 total cpu time spent up to now is 52.5 secs Computing kpt #: 78 total cpu time spent up to now is 53.1 secs Computing kpt #: 79 total cpu time spent up to now is 53.8 secs Computing kpt #: 80 total cpu time spent up to now is 54.5 secs Computing kpt #: 81 total cpu time spent up to now is 55.2 secs Computing kpt #: 82 total cpu time spent up to now is 55.9 secs Computing kpt #: 83 total cpu time spent up to now is 56.6 secs Computing kpt #: 84 total cpu time spent up to now is 57.3 secs Computing kpt #: 85 total cpu time spent up to now is 57.9 secs Computing kpt #: 86 total cpu time spent up to now is 58.6 secs Computing kpt #: 87 total cpu time spent up to now is 59.3 secs Computing kpt #: 88 total cpu time spent up to now is 59.9 secs Computing kpt #: 89 total cpu time spent up to now is 60.6 secs Computing kpt #: 90 total cpu time spent up to now is 61.2 secs Computing kpt #: 91 total cpu time spent up to now is 61.9 secs Computing kpt #: 92 total cpu time spent up to now is 62.5 secs Computing kpt #: 93 total cpu time spent up to now is 63.2 secs Computing kpt #: 94 total cpu time spent up to now is 63.8 secs Computing kpt #: 95 total cpu time spent up to now is 64.4 secs Computing kpt #: 96 total cpu time spent up to now is 65.1 secs Computing kpt #: 97 total cpu time spent up to now is 65.8 secs Computing kpt #: 98 total cpu time spent up to now is 66.4 secs Computing kpt #: 99 total cpu time spent up to now is 67.1 secs Computing kpt #: 100 total cpu time spent up to now is 67.8 secs Computing kpt #: 101 total cpu time spent up to now is 68.5 secs Computing kpt #: 102 total cpu time spent up to now is 69.1 secs Computing kpt #: 103 total cpu time spent up to now is 69.8 secs Computing kpt #: 104 total cpu time spent up to now is 70.5 secs Computing kpt #: 105 total cpu time spent up to now is 71.2 secs Computing kpt #: 106 total cpu time spent up to now is 71.8 secs Computing kpt #: 107 total cpu time spent up to now is 72.5 secs Computing kpt #: 108 total cpu time spent up to now is 73.2 secs Computing kpt #: 109 total cpu time spent up to now is 73.9 secs Computing kpt #: 110 total cpu time spent up to now is 74.5 secs Computing kpt #: 111 total cpu time spent up to now is 75.2 secs Computing kpt #: 112 total cpu time spent up to now is 75.9 secs Computing kpt #: 113 total cpu time spent up to now is 76.6 secs Computing kpt #: 114 total cpu time spent up to now is 77.3 secs Computing kpt #: 115 total cpu time spent up to now is 78.0 secs Computing kpt #: 116 total cpu time spent up to now is 78.7 secs Computing kpt #: 117 total cpu time spent up to now is 79.4 secs Computing kpt #: 118 total cpu time spent up to now is 80.1 secs Computing kpt #: 119 total cpu time spent up to now is 80.8 secs Computing kpt #: 120 total cpu time spent up to now is 81.5 secs Computing kpt #: 121 total cpu time spent up to now is 82.2 secs Computing kpt #: 122 total cpu time spent up to now is 82.8 secs Computing kpt #: 123 total cpu time spent up to now is 83.5 secs Computing kpt #: 124 total cpu time spent up to now is 84.2 secs Computing kpt #: 125 total cpu time spent up to now is 84.9 secs Computing kpt #: 126 total cpu time spent up to now is 85.6 secs Computing kpt #: 127 total cpu time spent up to now is 86.3 secs Computing kpt #: 128 total cpu time spent up to now is 86.9 secs Computing kpt #: 129 total cpu time spent up to now is 87.6 secs Computing kpt #: 130 total cpu time spent up to now is 88.2 secs Computing kpt #: 131 total cpu time spent up to now is 88.8 secs Computing kpt #: 132 total cpu time spent up to now is 89.5 secs Computing kpt #: 133 total cpu time spent up to now is 90.1 secs Computing kpt #: 134 total cpu time spent up to now is 90.7 secs Computing kpt #: 135 total cpu time spent up to now is 91.3 secs Computing kpt #: 136 total cpu time spent up to now is 92.0 secs Computing kpt #: 137 total cpu time spent up to now is 92.6 secs Computing kpt #: 138 total cpu time spent up to now is 93.2 secs Computing kpt #: 139 total cpu time spent up to now is 93.9 secs Computing kpt #: 140 total cpu time spent up to now is 94.5 secs Computing kpt #: 141 total cpu time spent up to now is 95.2 secs Computing kpt #: 142 total cpu time spent up to now is 95.8 secs Computing kpt #: 143 total cpu time spent up to now is 96.5 secs Computing kpt #: 144 total cpu time spent up to now is 97.1 secs Computing kpt #: 145 total cpu time spent up to now is 97.8 secs Computing kpt #: 146 total cpu time spent up to now is 98.4 secs Computing kpt #: 147 total cpu time spent up to now is 99.0 secs Computing kpt #: 148 total cpu time spent up to now is 99.7 secs Computing kpt #: 149 total cpu time spent up to now is 100.4 secs Computing kpt #: 150 total cpu time spent up to now is 101.1 secs Computing kpt #: 151 total cpu time spent up to now is 101.8 secs Computing kpt #: 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cpu time spent up to now is 112.3 secs Computing kpt #: 168 total cpu time spent up to now is 112.9 secs Computing kpt #: 169 total cpu time spent up to now is 113.6 secs Computing kpt #: 170 total cpu time spent up to now is 114.3 secs Computing kpt #: 171 total cpu time spent up to now is 115.1 secs Computing kpt #: 172 total cpu time spent up to now is 115.8 secs Computing kpt #: 173 total cpu time spent up to now is 116.7 secs Computing kpt #: 174 total cpu time spent up to now is 117.3 secs Computing kpt #: 175 total cpu time spent up to now is 118.0 secs Computing kpt #: 176 total cpu time spent up to now is 118.8 secs Computing kpt #: 177 total cpu time spent up to now is 119.6 secs Computing kpt #: 178 total cpu time spent up to now is 120.3 secs Computing kpt #: 179 total cpu time spent up to now is 121.0 secs Computing kpt #: 180 total cpu time spent up to now is 121.7 secs Computing kpt #: 181 total cpu time spent up to now is 122.3 secs Computing kpt #: 182 total cpu time spent up to now is 123.0 secs Computing kpt #: 183 total cpu time spent up to now is 123.6 secs Computing kpt #: 184 total cpu time spent up to now is 124.3 secs Computing kpt #: 185 total cpu time spent up to now is 124.9 secs Computing kpt #: 186 total cpu time spent up to now is 125.6 secs Computing kpt #: 187 total cpu time spent up to now is 126.2 secs Computing kpt #: 188 total cpu time spent up to now is 126.9 secs Computing kpt #: 189 total cpu time spent up to now is 127.5 secs Computing kpt #: 190 total cpu time spent up to now is 128.1 secs Computing kpt #: 191 total cpu time spent up to now is 128.7 secs Computing kpt #: 192 total cpu time spent up to now is 129.3 secs Computing kpt #: 193 total cpu time spent up to now is 129.9 secs Computing kpt #: 194 total cpu time spent up to now is 130.6 secs Computing kpt #: 195 total cpu time spent up to now is 131.2 secs Computing kpt #: 196 total cpu time spent up to now is 131.8 secs Computing kpt #: 197 total cpu time spent up to now is 132.4 secs Computing kpt #: 198 total cpu time spent up to now is 133.1 secs Computing kpt #: 199 total cpu time spent up to now is 133.7 secs Computing kpt #: 200 total cpu time spent up to now is 134.3 secs Computing kpt #: 201 total cpu time spent up to now is 135.0 secs Computing kpt #: 202 total cpu time spent up to now is 135.6 secs Computing kpt #: 203 total cpu time spent up to now is 136.3 secs Computing kpt #: 204 total cpu time spent up to now is 137.0 secs Computing kpt #: 205 total cpu time spent up to now is 137.6 secs Computing kpt #: 206 total cpu time spent up to now is 138.3 secs Computing kpt #: 207 total cpu time spent up to now is 138.9 secs Computing kpt #: 208 total cpu time spent up to now is 139.5 secs Computing kpt #: 209 total cpu time spent up to now is 140.2 secs Computing kpt #: 210 total cpu time spent up to now is 140.8 secs Computing kpt #: 211 total cpu time spent up to now is 141.5 secs Computing kpt #: 212 total cpu time spent up to now is 142.1 secs Computing kpt #: 213 total cpu time spent up to now is 142.8 secs Computing kpt #: 214 total cpu time spent up to now is 143.5 secs Computing kpt #: 215 total cpu time spent up to now is 144.1 secs Computing kpt #: 216 total cpu time spent up to now is 144.8 secs Computing kpt #: 217 total cpu time spent up to now is 145.5 secs Computing kpt #: 218 total cpu time spent up to now is 146.2 secs Computing kpt #: 219 total cpu time spent up to now is 146.9 secs Computing kpt #: 220 total cpu time spent up to now is 147.6 secs Computing kpt #: 221 total cpu time spent up to now is 148.2 secs Computing kpt #: 222 total cpu time spent up to now is 148.9 secs Computing kpt #: 223 total cpu time spent up to now is 149.6 secs Computing kpt #: 224 total cpu time spent up to now is 150.3 secs Computing kpt #: 225 total cpu time spent up to now is 150.9 secs Computing kpt #: 226 total cpu time spent up to now is 151.6 secs Computing kpt #: 227 total cpu time spent up to now is 152.3 secs Computing kpt #: 228 total cpu time spent up to now is 152.9 secs Computing kpt #: 229 total cpu time spent up to now is 153.6 secs Computing kpt #: 230 total cpu time spent up to now is 154.2 secs Computing kpt #: 231 total cpu time spent up to now is 154.9 secs Computing kpt #: 232 total cpu time spent up to now is 155.6 secs Computing kpt #: 233 total cpu time spent up to now is 156.3 secs Computing kpt #: 234 total cpu time spent up to now is 156.9 secs Computing kpt #: 235 total cpu time spent up to now is 157.6 secs Computing kpt #: 236 total cpu time spent up to now is 158.3 secs Computing kpt #: 237 total cpu time spent up to now is 158.9 secs Computing kpt #: 238 total cpu time spent up to now is 159.5 secs Computing kpt #: 239 total cpu time spent up to now is 160.2 secs Computing kpt #: 240 total cpu time spent up to now is 160.8 secs Computing kpt #: 241 total cpu time spent up to now is 161.5 secs Computing kpt #: 242 total cpu time spent up to now is 162.1 secs Computing kpt #: 243 total cpu time spent up to now is 162.8 secs Computing kpt #: 244 total cpu time spent up to now is 163.5 secs Computing kpt #: 245 total cpu time spent up to now is 164.1 secs Computing kpt #: 246 total cpu time spent up to now is 164.8 secs Computing kpt #: 247 total cpu time spent up to now is 165.4 secs Computing kpt #: 248 total cpu time spent up to now is 166.0 secs Computing kpt #: 249 total cpu time spent up to now is 166.7 secs Computing kpt #: 250 total cpu time spent up to now is 167.3 secs Computing kpt #: 251 total cpu time spent up to now is 167.9 secs Computing kpt #: 252 total cpu time spent up to now is 168.6 secs Computing kpt #: 253 total cpu time spent up to now is 169.2 secs Computing kpt #: 254 total cpu time spent up to now is 169.8 secs Computing kpt #: 255 total cpu time spent up to now is 170.5 secs Computing kpt #: 256 total cpu time spent up to now is 171.1 secs Computing kpt #: 257 total cpu time spent up to now is 171.7 secs Computing kpt #: 258 total cpu time spent up to now is 172.3 secs Computing kpt #: 259 total cpu time spent up to now is 172.9 secs Computing kpt #: 260 total cpu time spent up to now is 173.5 secs Computing kpt #: 261 total cpu time spent up to now is 174.1 secs Computing kpt #: 262 total cpu time spent up to now is 174.7 secs Computing kpt #: 263 total cpu time spent up to now is 175.3 secs Computing kpt #: 264 total cpu time spent up to now is 175.9 secs Computing kpt #: 265 total cpu time spent up to now is 177.2 secs Computing kpt #: 266 total cpu time spent up to now is 177.7 secs Computing kpt #: 267 total cpu time spent up to now is 178.3 secs Computing kpt #: 268 total cpu time spent up to now is 178.9 secs Computing kpt #: 269 total cpu time spent up to now is 179.5 secs Computing kpt #: 270 total cpu time spent up to now is 180.0 secs Computing kpt #: 271 total cpu time spent up to now is 180.6 secs Computing kpt #: 272 total cpu time spent up to now is 181.3 secs Computing kpt #: 273 total cpu time spent up to now is 181.8 secs Computing kpt #: 274 total cpu time spent up to now is 182.4 secs Computing kpt #: 275 total cpu time spent up to now is 183.0 secs Computing kpt #: 276 total cpu time spent up to now is 183.6 secs Computing kpt #: 277 total cpu time spent up to now is 184.2 secs Computing kpt #: 278 total cpu time spent up to now is 184.8 secs Computing kpt #: 279 total cpu time spent up to now is 185.4 secs Computing kpt #: 280 total cpu time spent up to now is 186.0 secs Computing kpt #: 281 total cpu time spent up to now is 186.7 secs Computing kpt #: 282 total cpu time spent up to now is 187.3 secs Computing kpt #: 283 total cpu time spent up to now is 188.0 secs Computing kpt #: 284 total cpu time spent up to now is 188.6 secs Computing kpt #: 285 total cpu time spent up to now is 189.2 secs Computing kpt #: 286 total cpu time spent up to now is 189.8 secs Computing kpt #: 287 total cpu time spent up to now is 190.5 secs Computing kpt #: 288 total cpu time spent up to now is 191.1 secs Computing kpt #: 289 total cpu time spent up to now is 191.8 secs Computing kpt #: 290 total cpu time spent up to now is 192.6 secs Computing kpt #: 291 total cpu time spent up to now is 193.4 secs Computing kpt #: 292 total cpu time spent up to now is 194.1 secs Computing kpt #: 293 total cpu time spent up to now is 194.9 secs Computing kpt #: 294 total cpu time spent up to now is 195.7 secs Computing kpt #: 295 total cpu time spent up to now is 196.4 secs Computing kpt #: 296 total cpu time spent up to now is 197.1 secs Computing kpt #: 297 total cpu time spent up to now is 197.8 secs Computing kpt #: 298 total cpu time spent up to now is 198.5 secs Computing kpt #: 299 total cpu time spent up to now is 199.2 secs Computing kpt #: 300 total cpu time spent up to now is 199.8 secs Computing kpt #: 301 total cpu time spent up to now is 200.5 secs Computing kpt #: 302 total cpu time spent up to now is 201.2 secs Computing kpt #: 303 total cpu time spent up to now is 201.8 secs Computing kpt #: 304 total cpu time spent up to now is 202.5 secs Computing kpt #: 305 total cpu time spent up to now is 203.1 secs Computing kpt #: 306 total cpu time spent up to now is 203.8 secs Computing kpt #: 307 total cpu time spent up to now is 204.4 secs Computing kpt #: 308 total cpu time spent up to now is 205.1 secs Computing kpt #: 309 total cpu time spent up to now is 205.7 secs Computing kpt #: 310 total cpu time spent up to now is 206.3 secs Computing kpt #: 311 total cpu time spent up to now is 206.9 secs Computing kpt #: 312 total cpu time spent up to now is 207.6 secs Computing kpt #: 313 total cpu time spent up to now is 208.2 secs Computing kpt #: 314 total cpu time spent up to now is 208.9 secs Computing kpt #: 315 total cpu time spent up to now is 209.5 secs Computing kpt #: 316 total cpu time spent up to now is 210.1 secs Computing kpt #: 317 total cpu time spent up to now is 210.8 secs Computing kpt #: 318 total cpu time spent up to now is 211.4 secs Computing kpt #: 319 total cpu time spent up to now is 212.0 secs Computing kpt #: 320 total cpu time spent up to now is 212.7 secs Computing kpt #: 321 total cpu time spent up to now is 213.3 secs Computing kpt #: 322 total cpu time spent up to now is 213.9 secs Computing kpt #: 323 total cpu time spent up to now is 214.5 secs Computing kpt #: 324 total cpu time spent up to now is 215.2 secs Computing kpt #: 325 total cpu time spent up to now is 215.8 secs Computing kpt #: 326 total cpu time spent up to now is 216.4 secs Computing kpt #: 327 total cpu time spent up to now is 217.1 secs Computing kpt #: 328 total cpu time spent up to now is 217.7 secs Computing kpt #: 329 total cpu time spent up to now is 218.4 secs Computing kpt #: 330 total cpu time spent up to now is 219.0 secs Computing kpt #: 331 total cpu time spent up to now is 219.7 secs Computing kpt #: 332 total cpu time spent up to now is 220.3 secs Computing kpt #: 333 total cpu time spent up to now is 221.0 secs Computing kpt #: 334 total cpu time spent up to now is 221.6 secs Computing kpt #: 335 total cpu time spent up to now is 222.3 secs Computing kpt #: 336 total cpu time spent up to now is 223.1 secs Computing kpt #: 337 total cpu time spent up to now is 223.8 secs Computing kpt #: 338 total cpu time spent up to now is 224.4 secs Computing kpt #: 339 total cpu time spent up to now is 225.0 secs Computing kpt #: 340 total cpu time spent up to now is 225.7 secs Computing kpt #: 341 total cpu time spent up to now is 226.3 secs Computing kpt #: 342 total cpu time spent up to now is 226.9 secs Computing kpt #: 343 total cpu time spent up to now is 227.5 secs Computing kpt #: 344 total cpu time spent up to now is 228.1 secs Computing kpt #: 345 total cpu time spent up to now is 228.7 secs Computing kpt #: 346 total cpu time spent up to now is 229.3 secs Computing kpt #: 347 total cpu time spent up to now is 229.9 secs Computing kpt #: 348 total cpu time spent up to now is 230.4 secs Computing kpt #: 349 total cpu time spent up to now is 231.0 secs Computing kpt #: 350 total cpu time spent up to now is 231.6 secs Computing kpt #: 351 total cpu time spent up to now is 232.1 secs ethr = 2.27E-08, avg # of iterations = 16.9 total cpu time spent up to now is 232.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3385 PWs) bands (ev): -17.8896 -17.8896 -4.5744 -4.5744 -3.7313 -3.7313 -3.2531 -3.2531 -2.1917 -2.1917 -1.6456 -1.6456 4.0140 4.0140 5.9969 5.9969 5.9995 5.9995 6.0307 6.0307 6.3315 6.3315 6.3663 6.3663 7.0518 7.0518 7.8122 7.8122 7.9944 7.9944 8.4209 8.4209 8.4962 8.4962 8.6097 8.6097 8.8443 8.8443 9.9108 9.9108 9.9720 9.9720 9.9731 9.9731 10.5172 10.5172 11.3377 11.3377 13.4441 13.4441 13.4451 13.4451 k = 0.0000 0.0000 0.0219 ( 3373 PWs) bands (ev): -17.8894 -17.8894 -4.5745 -4.5745 -3.7317 -3.7317 -3.2522 -3.2522 -2.1918 -2.1918 -1.6464 -1.6464 4.0156 4.0156 5.9954 5.9954 5.9990 5.9990 6.0310 6.0310 6.3304 6.3304 6.3653 6.3653 7.0524 7.0524 7.8122 7.8122 7.9946 7.9946 8.4203 8.4203 8.4950 8.4950 8.6085 8.6085 8.8451 8.8451 9.9108 9.9108 9.9658 9.9658 9.9679 9.9679 10.5263 10.5263 11.3449 11.3449 13.4456 13.4456 13.4480 13.4480 k = 0.0000 0.0000 0.0438 ( 3375 PWs) bands (ev): -17.8891 -17.8891 -4.5749 -4.5749 -3.7328 -3.7328 -3.2498 -3.2498 -2.1919 -2.1919 -1.6489 -1.6489 4.0202 4.0202 5.9894 5.9894 5.9990 5.9990 6.0317 6.0317 6.3264 6.3264 6.3631 6.3631 7.0538 7.0538 7.8122 7.8122 7.9950 7.9950 8.4182 8.4182 8.4913 8.4913 8.6049 8.6049 8.8471 8.8471 9.9108 9.9108 9.9476 9.9476 9.9535 9.9535 10.5526 10.5526 11.3659 11.3659 13.4476 13.4476 13.4591 13.4591 k = 0.0000 0.0000 0.0658 ( 3379 PWs) bands (ev): -17.8885 -17.8885 -4.5756 -4.5756 -3.7345 -3.7345 -3.2458 -3.2458 -2.1923 -2.1923 -1.6529 -1.6529 4.0280 4.0280 5.9786 5.9786 5.9994 5.9994 6.0329 6.0329 6.3174 6.3174 6.3617 6.3617 7.0564 7.0564 7.8122 7.8122 7.9957 7.9957 8.4149 8.4149 8.4854 8.4854 8.5990 8.5990 8.8502 8.8502 9.9105 9.9105 9.9203 9.9203 9.9308 9.9308 10.5932 10.5932 11.3996 11.3996 13.4509 13.4509 13.4774 13.4774 k = 0.0000 0.0000 0.0877 ( 3381 PWs) bands (ev): -17.8877 -17.8877 -4.5765 -4.5765 -3.7367 -3.7367 -3.2403 -3.2403 -2.1927 -2.1927 -1.6585 -1.6585 4.0387 4.0387 5.9637 5.9637 6.0002 6.0002 6.0346 6.0346 6.3023 6.3023 6.3624 6.3624 7.0599 7.0599 7.8122 7.8122 7.9966 7.9966 8.4101 8.4101 8.4773 8.4773 8.5910 8.5910 8.8542 8.8542 9.8866 9.8866 9.9002 9.9002 9.9112 9.9112 10.6451 10.6451 11.4444 11.4444 13.4556 13.4556 13.5029 13.5029 k = 0.0000 0.0000 0.1096 ( 3379 PWs) bands (ev): -17.8867 -17.8867 -4.5778 -4.5778 -3.7393 -3.7393 -3.2336 -3.2336 -2.1932 -2.1932 -1.6657 -1.6657 4.0522 4.0522 5.9448 5.9448 6.0013 6.0013 6.0367 6.0367 6.2812 6.2812 6.3653 6.3653 7.0644 7.0644 7.8122 7.8122 7.9976 7.9976 8.4042 8.4042 8.4671 8.4671 8.5812 8.5812 8.8591 8.8591 9.8492 9.8492 9.8658 9.8658 9.9102 9.9102 10.7059 10.7059 11.4983 11.4983 13.4617 13.4617 13.5352 13.5352 k = 0.0000 0.0000 0.1315 ( 3375 PWs) bands (ev): -17.8854 -17.8854 -4.5794 -4.5794 -3.7419 -3.7419 -3.2258 -3.2258 -2.1938 -2.1938 -1.6743 -1.6743 4.0685 4.0685 5.9222 5.9222 6.0026 6.0026 6.0394 6.0394 6.2548 6.2548 6.3697 6.3697 7.0698 7.0698 7.8122 7.8122 7.9989 7.9989 8.3971 8.3971 8.4550 8.4550 8.5697 8.5697 8.8646 8.8646 9.8095 9.8095 9.8275 9.8275 9.9091 9.9091 10.7738 10.7738 11.5594 11.5594 13.4691 13.4691 13.5741 13.5741 k = 0.0000 0.0000 0.1534 ( 3389 PWs) bands (ev): -17.8840 -17.8840 -4.5814 -4.5814 -3.7446 -3.7446 -3.2171 -3.2171 -2.1944 -2.1944 -1.6844 -1.6844 4.0872 4.0872 5.8961 5.8961 6.0042 6.0042 6.0424 6.0424 6.2236 6.2236 6.3752 6.3752 7.0760 7.0760 7.8121 7.8121 8.0001 8.0001 8.3885 8.3885 8.4410 8.4410 8.5567 8.5567 8.8703 8.8703 9.7684 9.7684 9.7873 9.7873 9.9073 9.9073 10.8476 10.8476 11.6258 11.6258 13.4781 13.4781 13.6192 13.6192 k = 0.0000 0.0000 0.1754 ( 3389 PWs) bands (ev): -17.8823 -17.8823 -4.5837 -4.5837 -3.7469 -3.7469 -3.2077 -3.2077 -2.1951 -2.1951 -1.6959 -1.6959 4.1083 4.1083 5.8671 5.8671 6.0060 6.0060 6.0460 6.0460 6.1881 6.1881 6.3816 6.3816 7.0830 7.0830 7.8120 7.8120 8.0015 8.0015 8.3788 8.3788 8.4255 8.4255 8.5426 8.5426 8.8762 8.8762 9.7264 9.7264 9.7467 9.7467 9.9048 9.9048 10.9264 10.9264 11.6957 11.6957 13.4887 13.4887 13.6700 13.6700 k = 0.0000 0.0000 0.1973 ( 3395 PWs) bands (ev): -17.8804 -17.8804 -4.5865 -4.5865 -3.7488 -3.7488 -3.1978 -3.1978 -2.1959 -2.1959 -1.7087 -1.7087 4.1314 4.1314 5.8355 5.8355 6.0080 6.0080 6.0497 6.0497 6.1486 6.1486 6.3887 6.3887 7.0908 7.0908 7.8118 7.8118 8.0029 8.0029 8.3679 8.3679 8.4086 8.4086 8.5276 8.5276 8.8822 8.8822 9.6839 9.6839 9.7067 9.7067 9.9013 9.9013 11.0098 11.0098 11.7674 11.7674 13.5011 13.5011 13.6979 13.6979 k = 0.0000 0.0000 0.2192 ( 3399 PWs) bands (ev): -17.8783 -17.8783 -4.5897 -4.5897 -3.7500 -3.7500 -3.1875 -3.1875 -2.1967 -2.1967 -1.7226 -1.7226 4.1562 4.1562 5.8018 5.8018 6.0102 6.0102 6.0535 6.0535 6.1061 6.1061 6.3963 6.3963 7.0993 7.0993 7.8114 7.8114 8.0041 8.0041 8.3559 8.3559 8.3904 8.3904 8.5118 8.5118 8.8879 8.8879 9.6414 9.6414 9.6678 9.6678 9.8966 9.8966 11.0974 11.0974 11.8393 11.8393 13.5156 13.5156 13.6997 13.6997 k = 0.0000 0.0000 0.2411 ( 3407 PWs) bands (ev): -17.8760 -17.8760 -4.5933 -4.5933 -3.7504 -3.7504 -3.1770 -3.1770 -2.1976 -2.1976 -1.7377 -1.7377 4.1823 4.1823 5.7665 5.7665 6.0125 6.0125 6.0504 6.0504 6.0676 6.0676 6.4043 6.4043 7.1084 7.1084 7.8108 7.8108 8.0052 8.0052 8.3426 8.3426 8.3712 8.3712 8.4954 8.4954 8.8935 8.8935 9.5997 9.5997 9.6302 9.6302 9.8907 9.8907 11.1889 11.1889 11.9099 11.9099 13.5325 13.5325 13.7053 13.7053 k = 0.0000 0.0000 0.2631 ( 3403 PWs) bands (ev): -17.8736 -17.8736 -4.5974 -4.5974 -3.7499 -3.7499 -3.1664 -3.1664 -2.1985 -2.1985 -1.7538 -1.7538 4.2093 4.2093 5.7302 5.7302 6.0043 6.0043 6.0184 6.0184 6.0662 6.0662 6.4124 6.4124 7.1183 7.1183 7.8099 7.8099 8.0059 8.0059 8.3280 8.3280 8.3515 8.3515 8.4787 8.4787 8.8987 8.8987 9.5592 9.5592 9.5940 9.5940 9.8835 9.8835 11.2839 11.2839 11.9777 11.9777 13.5521 13.5521 13.7146 13.7146 k = 0.0000 0.0000 0.2850 ( 3415 PWs) bands (ev): -17.8709 -17.8709 -4.6020 -4.6020 -3.7483 -3.7483 -3.1559 -3.1559 -2.1995 -2.1995 -1.7708 -1.7708 4.2367 4.2367 5.6934 5.6934 5.9546 5.9546 6.0195 6.0195 6.0709 6.0709 6.4206 6.4206 7.1285 7.1285 7.8087 7.8087 8.0063 8.0063 8.3118 8.3118 8.3315 8.3315 8.4618 8.4618 8.9036 8.9036 9.5202 9.5202 9.5592 9.5592 9.8748 9.8748 11.3825 11.3825 12.0413 12.0413 13.5749 13.5749 13.7273 13.7273 k = 0.0000 0.0000 0.3069 ( 3427 PWs) bands (ev): -17.8681 -17.8681 -4.6069 -4.6069 -3.7457 -3.7457 -3.1455 -3.1455 -2.2007 -2.2007 -1.7886 -1.7886 4.2640 4.2640 5.6570 5.6570 5.9004 5.9004 6.0226 6.0226 6.0763 6.0763 6.4287 6.4287 7.1392 7.1392 7.8069 7.8069 8.0061 8.0061 8.2934 8.2934 8.3122 8.3122 8.4447 8.4447 8.9081 8.9081 9.4831 9.4831 9.5259 9.5259 9.8647 9.8647 11.4844 11.4844 12.0994 12.0994 13.6013 13.6013 13.7428 13.7428 k = 0.0000 0.0000 0.3288 ( 3427 PWs) bands (ev): -17.8651 -17.8651 -4.6123 -4.6123 -3.7418 -3.7418 -3.1352 -3.1352 -2.2021 -2.2021 -1.8070 -1.8070 4.2906 4.2906 5.6217 5.6217 5.8439 5.8439 6.0262 6.0262 6.0821 6.0821 6.4367 6.4367 7.1504 7.1504 7.8047 7.8047 8.0053 8.0053 8.2729 8.2729 8.2940 8.2940 8.4277 8.4277 8.9123 8.9123 9.4479 9.4479 9.4943 9.4943 9.8532 9.8532 11.5896 11.5896 12.1507 12.1507 13.6317 13.6317 13.7600 13.7600 k = 0.0000 0.0000 0.3507 ( 3431 PWs) bands (ev): -17.8620 -17.8620 -4.6180 -4.6180 -3.7368 -3.7368 -3.1251 -3.1251 -2.2038 -2.2038 -1.8259 -1.8259 4.3156 4.3156 5.5882 5.5882 5.7857 5.7857 6.0301 6.0301 6.0880 6.0880 6.4443 6.4443 7.1621 7.1621 7.8019 7.8019 8.0035 8.0035 8.2505 8.2505 8.2767 8.2767 8.4108 8.4108 8.9160 8.9160 9.4145 9.4145 9.4645 9.4645 9.8402 9.8402 11.6978 11.6978 12.1945 12.1945 13.6663 13.6663 13.7777 13.7777 k = 0.0000 0.0000 0.3727 ( 3431 PWs) bands (ev): -17.8587 -17.8587 -4.6241 -4.6241 -3.7306 -3.7306 -3.1152 -3.1152 -2.2059 -2.2059 -1.8451 -1.8451 4.3386 4.3386 5.5575 5.5575 5.7261 5.7261 6.0342 6.0342 6.0940 6.0940 6.4516 6.4516 7.1740 7.1740 7.7983 7.7983 8.0006 8.0006 8.2270 8.2270 8.2602 8.2602 8.3941 8.3941 8.9193 8.9193 9.3827 9.3827 9.4368 9.4368 9.8257 9.8257 11.8090 11.8090 12.2299 12.2299 13.7045 13.7045 13.7942 13.7942 k = 0.0000 0.0000 0.3946 ( 3427 PWs) bands (ev): -17.8553 -17.8553 -4.6303 -4.6303 -3.7233 -3.7233 -3.1056 -3.1056 -2.2086 -2.2086 -1.8645 -1.8645 4.3586 4.3586 5.5303 5.5303 5.6653 5.6653 6.0385 6.0385 6.0999 6.0999 6.4585 6.4585 7.1862 7.1862 7.7941 7.7941 7.9965 7.9965 8.2028 8.2028 8.2442 8.2442 8.3778 8.3778 8.9223 8.9223 9.3521 9.3521 9.4115 9.4115 9.8098 9.8098 11.9230 11.9230 12.2569 12.2569 13.7438 13.7438 13.8093 13.8093 k = 0.0000 0.0000 0.4165 ( 3423 PWs) bands (ev): -17.8517 -17.8517 -4.6368 -4.6368 -3.7148 -3.7148 -3.0960 -3.0960 -2.2120 -2.2120 -1.8839 -1.8839 4.3751 4.3751 5.5073 5.5073 5.6037 5.6037 6.0430 6.0430 6.1057 6.1057 6.4649 6.4649 7.1987 7.1987 7.7890 7.7890 7.9907 7.9907 8.1782 8.1782 8.2290 8.2290 8.3618 8.3618 8.9249 8.9249 9.3224 9.3224 9.3890 9.3890 9.7923 9.7923 12.0397 12.0397 12.2755 12.2755 13.7720 13.7720 13.8314 13.8314 k = 0.0000 0.0000 0.4384 ( 3431 PWs) bands (ev): -17.8481 -17.8481 -4.6435 -4.6435 -3.7054 -3.7054 -3.0866 -3.0866 -2.2163 -2.2163 -1.9031 -1.9031 4.3873 4.3873 5.4891 5.4891 5.5416 5.5416 6.0476 6.0476 6.1111 6.1111 6.4709 6.4709 7.2113 7.2113 7.7830 7.7830 7.9832 7.9832 8.1533 8.1533 8.2146 8.2146 8.3463 8.3463 8.9271 8.9271 9.2932 9.2932 9.3695 9.3695 9.7733 9.7733 12.1583 12.1583 12.2869 12.2869 13.7721 13.7721 13.8738 13.8738 k = 0.0000 0.0000 0.4603 ( 3435 PWs) bands (ev): -17.8443 -17.8443 -4.6502 -4.6502 -3.6949 -3.6949 -3.0772 -3.0772 -2.2217 -2.2217 -1.9219 -1.9219 4.3948 4.3948 5.4720 5.4720 5.4836 5.4836 6.0524 6.0524 6.1161 6.1161 6.4765 6.4765 7.2241 7.2241 7.7761 7.7761 7.9737 7.9737 8.1282 8.1282 8.2012 8.2012 8.3313 8.3313 8.9292 8.9292 9.2641 9.2641 9.3530 9.3530 9.7528 9.7528 12.2675 12.2675 12.3029 12.3029 13.7500 13.7500 13.9282 13.9282 k = 0.0000 0.0000 0.4823 ( 3439 PWs) bands (ev): -17.8405 -17.8405 -4.6569 -4.6569 -3.6837 -3.6837 -3.0677 -3.0677 -2.2283 -2.2283 -1.9402 -1.9402 4.3974 4.3974 5.4147 5.4147 5.4713 5.4713 6.0572 6.0572 6.1206 6.1206 6.4818 6.4818 7.2368 7.2368 7.7682 7.7682 7.9622 7.9622 8.1031 8.1031 8.1891 8.1891 8.3169 8.3169 8.9310 8.9310 9.2352 9.2352 9.3396 9.3396 9.7306 9.7306 12.2815 12.2815 12.4103 12.4103 13.7115 13.7115 13.9878 13.9878 k = 0.0000 0.0000 0.5042 ( 3437 PWs) bands (ev): -17.8366 -17.8366 -4.6635 -4.6635 -3.6717 -3.6717 -3.0581 -3.0581 -2.2364 -2.2364 -1.9578 -1.9578 4.3953 4.3953 5.3522 5.3522 5.4701 5.4701 6.0620 6.0620 6.1244 6.1244 6.4870 6.4870 7.2497 7.2497 7.7595 7.7595 7.9486 7.9486 8.0781 8.0781 8.1783 8.1783 8.3033 8.3033 8.9325 8.9325 9.2062 9.2062 9.3289 9.3289 9.7066 9.7066 12.2741 12.2741 12.5362 12.5362 13.6607 13.6607 14.0498 14.0498 k = 0.0000 0.0000 0.5261 ( 3437 PWs) bands (ev): -17.8327 -17.8327 -4.6700 -4.6700 -3.6590 -3.6590 -3.0482 -3.0482 -2.2460 -2.2460 -1.9748 -1.9748 4.3886 4.3886 5.2896 5.2896 5.4744 5.4744 6.0666 6.0666 6.1274 6.1274 6.4923 6.4923 7.2623 7.2623 7.7499 7.7499 7.9330 7.9330 8.0531 8.0531 8.1686 8.1686 8.2905 8.2905 8.9340 8.9340 9.1772 9.1772 9.3208 9.3208 9.6807 9.6807 12.2618 12.2618 12.6652 12.6652 13.6018 13.6018 14.1089 14.1089 k = 0.0000 0.0000 0.5480 ( 3437 PWs) bands (ev): -17.8286 -17.8286 -4.6764 -4.6764 -3.6458 -3.6458 -3.0379 -3.0379 -2.2572 -2.2572 -1.9910 -1.9910 4.3780 4.3780 5.2275 5.2275 5.4836 5.4836 6.0708 6.0708 6.1296 6.1296 6.4978 6.4978 7.2748 7.2748 7.7396 7.7396 7.9157 7.9157 8.0284 8.0284 8.1602 8.1602 8.2786 8.2786 8.9352 8.9352 9.1482 9.1482 9.3147 9.3147 9.6527 9.6527 12.2463 12.2463 12.7965 12.7965 13.5389 13.5389 14.1326 14.1326 k = 0.0000 0.0000 0.5700 ( 3441 PWs) bands (ev): -17.8246 -17.8246 -4.6824 -4.6824 -3.6322 -3.6322 -3.0271 -3.0271 -2.2701 -2.2701 -2.0065 -2.0065 4.3642 4.3642 5.1659 5.1659 5.4968 5.4968 6.0741 6.0741 6.1310 6.1310 6.5037 6.5037 7.2870 7.2870 7.7286 7.7286 7.8967 7.8967 8.0040 8.0040 8.1526 8.1526 8.2678 8.2678 8.9362 8.9362 9.1191 9.1191 9.3105 9.3105 9.6225 9.6225 12.2289 12.2289 12.9298 12.9298 13.4757 13.4757 14.1066 14.1066 k = 0.0000 0.0000 0.5919 ( 3447 PWs) bands (ev): -17.8205 -17.8205 -4.6883 -4.6883 -3.6182 -3.6182 -3.0158 -3.0158 -2.2845 -2.2845 -2.0214 -2.0214 4.3481 4.3481 5.1050 5.1050 5.5132 5.5132 6.0762 6.0762 6.1321 6.1321 6.5102 6.5102 7.2989 7.2989 7.7171 7.7171 7.8764 7.8764 7.9799 7.9799 8.1458 8.1458 8.2580 8.2580 8.9371 8.9371 9.0900 9.0900 9.3075 9.3075 9.5899 9.5899 12.2107 12.2107 13.0647 13.0647 13.4151 13.4151 14.0706 14.0706 k = 0.0000 0.0000 0.6138 ( 3443 PWs) bands (ev): -17.8164 -17.8164 -4.6937 -4.6937 -3.6039 -3.6039 -3.0038 -3.0038 -2.3003 -2.3003 -2.0359 -2.0359 4.3304 4.3304 5.0450 5.0450 5.5317 5.5317 6.0764 6.0764 6.1333 6.1333 6.5176 6.5176 7.3104 7.3104 7.7052 7.7052 7.8550 7.8550 7.9563 7.9563 8.1397 8.1397 8.2495 8.2495 8.9376 8.9376 9.0609 9.0609 9.3054 9.3054 9.5549 9.5549 12.1926 12.1926 13.2001 13.2001 13.3604 13.3604 14.0326 14.0326 k = 0.0000 0.0000 0.6357 ( 3439 PWs) bands (ev): -17.8123 -17.8123 -4.6989 -4.6989 -3.5894 -3.5894 -2.9910 -2.9910 -2.3173 -2.3173 -2.0503 -2.0503 4.3121 4.3121 4.9861 4.9861 5.5517 5.5517 6.0739 6.0739 6.1351 6.1351 6.5261 6.5261 7.3214 7.3214 7.6930 7.6930 7.8329 7.8329 7.9331 7.9331 8.1340 8.1340 8.2421 8.2421 8.9379 8.9379 9.0318 9.0318 9.3037 9.3037 9.5173 9.5173 12.1756 12.1756 13.2958 13.2958 13.3531 13.3531 13.9942 13.9942 k = 0.0000 0.0000 0.6576 ( 3435 PWs) bands (ev): -17.8083 -17.8083 -4.7036 -4.7036 -3.5747 -3.5747 -2.9775 -2.9775 -2.3355 -2.3355 -2.0648 -2.0648 4.2939 4.2939 4.9282 4.9282 5.5722 5.5722 6.0683 6.0683 6.1379 6.1379 6.5356 6.5356 7.3319 7.3319 7.6807 7.6807 7.8103 7.8103 7.9106 7.9106 8.1284 8.1284 8.2360 8.2360 8.9377 8.9377 9.0029 9.0029 9.3018 9.3018 9.4772 9.4772 12.1604 12.1604 13.2614 13.2614 13.4846 13.4846 13.9562 13.9562 k = 0.0000 0.0000 0.6796 ( 3439 PWs) bands (ev): -17.8042 -17.8042 -4.7080 -4.7080 -3.5598 -3.5598 -2.9632 -2.9632 -2.3544 -2.3544 -2.0796 -2.0796 4.2763 4.2763 4.8717 4.8717 5.5924 5.5924 6.0596 6.0596 6.1417 6.1417 6.5464 6.5464 7.3417 7.3417 7.6684 7.6684 7.7873 7.7873 7.8887 7.8887 8.1232 8.1232 8.2311 8.2311 8.9364 8.9364 8.9746 8.9746 9.2991 9.2991 9.4346 9.4346 12.1477 12.1477 13.2275 13.2275 13.6245 13.6245 13.9191 13.9191 k = 0.0000 0.0000 0.7015 ( 3435 PWs) bands (ev): -17.8002 -17.8002 -4.7119 -4.7119 -3.5448 -3.5448 -2.9480 -2.9480 -2.3740 -2.3740 -2.0949 -2.0949 4.2601 4.2601 4.8165 4.8165 5.6118 5.6118 6.0479 6.0479 6.1465 6.1465 6.5583 6.5583 7.3507 7.3507 7.6563 7.6563 7.7642 7.7642 7.8675 7.8675 8.1183 8.1183 8.2273 8.2273 8.9305 8.9305 8.9507 8.9507 9.2948 9.2948 9.3904 9.3904 12.1381 12.1381 13.2016 13.2016 13.7631 13.7631 13.8856 13.8856 k = 0.0000 0.0000 0.7234 ( 3439 PWs) bands (ev): -17.7962 -17.7962 -4.7155 -4.7155 -3.5296 -3.5296 -2.9321 -2.9321 -2.3940 -2.3940 -2.1111 -2.1111 4.2458 4.2458 4.7629 4.7629 5.6297 5.6297 6.0336 6.0336 6.1520 6.1520 6.5714 6.5714 7.3591 7.3591 7.6444 7.6444 7.7412 7.7412 7.8472 7.8472 8.1136 8.1136 8.2246 8.2246 8.9094 8.9094 8.9414 8.9414 9.2863 9.2863 9.3465 9.3465 12.1320 12.1320 13.1845 13.1845 13.8330 13.8330 13.9211 13.9211 k = 0.0000 0.0000 0.7453 ( 3443 PWs) bands (ev): -17.7923 -17.7923 -4.7186 -4.7186 -3.5141 -3.5141 -2.9155 -2.9155 -2.4142 -2.4142 -2.1281 -2.1281 4.2336 4.2336 4.7108 4.7108 5.6456 5.6456 6.0170 6.0170 6.1577 6.1577 6.5856 6.5856 7.3666 7.3666 7.6327 7.6327 7.7184 7.7184 7.8279 7.8279 8.1093 8.1093 8.2227 8.2227 8.8815 8.8815 8.9382 8.9382 9.2652 9.2652 9.3117 9.3117 12.1296 12.1296 13.1766 13.1766 13.8035 13.8035 13.9334 13.9334 k = 0.0000 0.0000 0.7672 ( 3447 PWs) bands (ev): -17.7885 -17.7885 -4.7214 -4.7214 -3.4984 -3.4984 -2.8982 -2.8982 -2.4345 -2.4345 -2.1463 -2.1463 4.2240 4.2240 4.6603 4.6603 5.6593 5.6593 5.9985 5.9985 6.1638 6.1638 6.6008 6.6008 7.3734 7.3734 7.6213 7.6213 7.6961 7.6961 7.8095 7.8095 8.1054 8.1054 8.2216 8.2216 8.8525 8.8525 8.9351 8.9351 9.2238 9.2238 9.2939 9.2939 12.1309 12.1309 13.1777 13.1777 13.7693 13.7693 13.8597 13.8597 k = 0.0000 0.0000 0.7892 ( 3443 PWs) bands (ev): -17.7847 -17.7847 -4.7238 -4.7238 -3.4824 -3.4824 -2.8803 -2.8803 -2.4549 -2.4549 -2.1656 -2.1656 4.2172 4.2172 4.6116 4.6116 5.6702 5.6702 5.9783 5.9783 6.1700 6.1700 6.6172 6.6172 7.3795 7.3795 7.6101 7.6101 7.6746 7.6746 7.7921 7.7921 8.1021 8.1021 8.2213 8.2213 8.8234 8.8234 8.9310 8.9310 9.1740 9.1740 9.2819 9.2819 12.1360 12.1360 13.1878 13.1878 13.7340 13.7340 13.7936 13.7936 k = 0.0000 0.0000 0.8111 ( 3447 PWs) bands (ev): -17.7811 -17.7811 -4.7258 -4.7258 -3.4659 -3.4659 -2.8621 -2.8621 -2.4750 -2.4750 -2.1861 -2.1861 4.2135 4.2135 4.5648 4.5648 5.6782 5.6782 5.9568 5.9568 6.1762 6.1762 6.6342 6.6342 7.3848 7.3848 7.5990 7.5990 7.6540 7.6540 7.7758 7.7758 8.0994 8.0994 8.2214 8.2214 8.7941 8.7941 8.9245 8.9245 9.1227 9.1227 9.2701 9.2701 12.1445 12.1445 13.2067 13.2067 13.6963 13.6963 13.7390 13.7390 k = 0.0000 0.0000 0.8330 ( 3447 PWs) bands (ev): -17.7775 -17.7775 -4.7274 -4.7274 -3.4489 -3.4489 -2.8436 -2.8436 -2.4950 -2.4950 -2.2078 -2.2078 4.2128 4.2128 4.5198 4.5198 5.6832 5.6832 5.9343 5.9343 6.1824 6.1824 6.6521 6.6521 7.3895 7.3895 7.5876 7.5876 7.6347 7.6347 7.7606 7.7606 8.0974 8.0974 8.2220 8.2220 8.7650 8.7650 8.9134 8.9134 9.0738 9.0738 9.2574 9.2574 12.1557 12.1557 13.2340 13.2340 13.6558 13.6558 13.6972 13.6972 k = 0.0000 0.0000 0.8549 ( 3447 PWs) bands (ev): -17.7741 -17.7741 -4.7288 -4.7288 -3.4313 -3.4313 -2.8249 -2.8249 -2.5146 -2.5146 -2.2307 -2.2307 4.2153 4.2153 4.4768 4.4768 5.6849 5.6849 5.9109 5.9109 6.1884 6.1884 6.6706 6.6706 7.3937 7.3937 7.5755 7.5755 7.6173 7.6173 7.7464 7.7464 8.0962 8.0962 8.2229 8.2229 8.7360 8.7360 8.8934 8.8934 9.0322 9.0322 9.2434 9.2434 12.1692 12.1692 13.2694 13.2694 13.6176 13.6176 13.6642 13.6642 k = 0.0000 0.0000 0.8769 ( 3443 PWs) bands (ev): -17.7708 -17.7708 -4.7299 -4.7299 -3.4129 -3.4129 -2.8064 -2.8064 -2.5339 -2.5339 -2.2547 -2.2547 4.2211 4.2211 4.4358 4.4358 5.6833 5.6833 5.8870 5.8870 6.1943 6.1943 6.6896 6.6896 7.3975 7.3975 7.5624 7.5624 7.6022 7.6022 7.7333 7.7333 8.0959 8.0959 8.2241 8.2241 8.7071 8.7071 8.8602 8.8602 9.0030 9.0030 9.2282 9.2282 12.1838 12.1838 13.3123 13.3123 13.5865 13.5865 13.6360 13.6360 k = 0.0000 0.0000 0.8988 ( 3441 PWs) bands (ev): -17.7676 -17.7676 -4.7307 -4.7307 -3.3938 -3.3938 -2.7881 -2.7881 -2.5528 -2.5528 -2.2797 -2.2797 4.2299 4.2299 4.3970 4.3970 5.6785 5.6785 5.8629 5.8629 6.2000 6.2000 6.7088 6.7088 7.4010 7.4010 7.5482 7.5482 7.5896 7.5896 7.7212 7.7212 8.0965 8.0965 8.2255 8.2255 8.6785 8.6785 8.8144 8.8144 8.9858 8.9858 9.2121 9.2121 12.1989 12.1989 13.3621 13.3621 13.5644 13.5644 13.6117 13.6117 k = 0.0000 0.0000 0.9207 ( 3442 PWs) bands (ev): -17.7646 -17.7646 -4.7313 -4.7313 -3.3739 -3.3739 -2.7703 -2.7703 -2.5714 -2.5714 -2.3054 -2.3054 4.2418 4.2418 4.3603 4.3603 5.6705 5.6705 5.8387 5.8387 6.2054 6.2054 6.7282 6.7282 7.4041 7.4041 7.5332 7.5332 7.5793 7.5793 7.7100 7.7100 8.0980 8.0980 8.2270 8.2270 8.6500 8.6500 8.7611 8.7611 8.9760 8.9760 9.1953 9.1953 12.2132 12.2132 13.4180 13.4180 13.5506 13.5506 13.5932 13.5932 k = 0.0000 0.0000 0.9426 ( 3438 PWs) bands (ev): -17.7617 -17.7617 -4.7317 -4.7317 -3.3530 -3.3530 -2.7533 -2.7533 -2.5895 -2.5895 -2.3316 -2.3316 4.2564 4.2564 4.3259 4.3259 5.6594 5.6594 5.8148 5.8148 6.2106 6.2106 6.7477 6.7477 7.4069 7.4069 7.5182 7.5182 7.5706 7.5706 7.6999 7.6999 8.1005 8.1005 8.2286 8.2286 8.6219 8.6219 8.7044 8.7044 8.9702 8.9702 9.1782 9.1782 12.2261 12.2261 13.4775 13.4775 13.5405 13.5405 13.5872 13.5872 k = 0.0000 0.0000 0.9645 ( 3440 PWs) bands (ev): -17.7590 -17.7590 -4.7319 -4.7319 -3.3311 -3.3311 -2.7373 -2.7373 -2.6073 -2.6073 -2.3580 -2.3580 4.2725 4.2725 4.2949 4.2949 5.6454 5.6454 5.7914 5.7914 6.2155 6.2155 6.7670 6.7670 7.4095 7.4095 7.5036 7.5036 7.5631 7.5631 7.6908 7.6908 8.1039 8.1039 8.2302 8.2302 8.5940 8.5940 8.6466 8.6466 8.9665 8.9665 9.1610 9.1610 12.2368 12.2368 13.5169 13.5169 13.5472 13.5472 13.6042 13.6042 k = 0.0000 0.0000 0.9865 ( 3436 PWs) bands (ev): -17.7565 -17.7565 -4.7320 -4.7320 -3.3081 -3.3081 -2.7229 -2.7229 -2.6247 -2.6247 -2.3842 -2.3842 4.2614 4.2614 4.2957 4.2957 5.6288 5.6288 5.7687 5.7687 6.2201 6.2201 6.7859 6.7859 7.4118 7.4118 7.4900 7.4900 7.5566 7.5566 7.6829 7.6829 8.1083 8.1083 8.2317 8.2317 8.5654 8.5654 8.5899 8.5899 8.9640 8.9640 9.1443 9.1443 12.2450 12.2450 13.5047 13.5047 13.5927 13.5927 13.6530 13.6530 k = 0.0000 0.0000 1.0084 ( 3436 PWs) bands (ev): -17.7541 -17.7541 -4.7320 -4.7320 -3.2842 -3.2842 -2.7108 -2.7108 -2.6414 -2.6414 -2.4095 -2.4095 4.2343 4.2343 4.3170 4.3170 5.6097 5.6097 5.7470 5.7470 6.2244 6.2244 6.8043 6.8043 7.4136 7.4136 7.4778 7.4778 7.5506 7.5506 7.6763 7.6763 8.1137 8.1137 8.2331 8.2331 8.5262 8.5262 8.5453 8.5453 8.9622 8.9622 9.1280 9.1280 12.2505 12.2505 13.4885 13.4885 13.6364 13.6364 13.7253 13.7253 k = 0.0000 0.0000 1.0303 ( 3430 PWs) bands (ev): -17.7519 -17.7519 -4.7319 -4.7319 -3.2591 -3.2591 -2.7032 -2.7032 -2.6558 -2.6558 -2.4333 -2.4333 4.2089 4.2089 4.3404 4.3404 5.5887 5.5887 5.7265 5.7265 6.2283 6.2283 6.8220 6.8220 7.4144 7.4144 7.4676 7.4676 7.5451 7.5451 7.6713 7.6713 8.1199 8.1199 8.2343 8.2343 8.4731 8.4731 8.5170 8.5170 8.9610 8.9610 9.1125 9.1125 12.2535 12.2535 13.4729 13.4729 13.6860 13.6860 13.8075 13.8075 k = 0.0000 0.0000 1.0522 ( 3428 PWs) bands (ev): -17.7499 -17.7499 -4.7318 -4.7318 -3.2330 -3.2330 -2.7049 -2.7049 -2.6638 -2.6638 -2.4550 -2.4550 4.1858 4.1858 4.3652 4.3652 5.5661 5.5661 5.7075 5.7075 6.2319 6.2319 6.8387 6.8387 7.4136 7.4136 7.4602 7.4602 7.5396 7.5396 7.6683 7.6683 8.1269 8.1269 8.2351 8.2351 8.4204 8.4204 8.4912 8.4912 8.9601 8.9601 9.0980 9.0980 12.2542 12.2542 13.4584 13.4584 13.7436 13.7436 13.8952 13.8952 k = 0.0000 0.0000 1.0741 ( 3428 PWs) bands (ev): -17.7481 -17.7481 -4.7316 -4.7316 -3.2060 -3.2060 -2.7182 -2.7182 -2.6636 -2.6636 -2.4738 -2.4738 4.1650 4.1650 4.3906 4.3906 5.5426 5.5426 5.6899 5.6899 6.2352 6.2352 6.8543 6.8543 7.4109 7.4109 7.4560 7.4560 7.5341 7.5341 7.6672 7.6672 8.1344 8.1344 8.2352 8.2352 8.3708 8.3708 8.4666 8.4666 8.9596 8.9596 9.0847 9.0847 12.2533 12.2533 13.4452 13.4452 13.8083 13.8083 13.9870 13.9870 k = 0.0000 0.0000 1.0961 ( 3442 PWs) bands (ev): -17.7465 -17.7465 -4.7314 -4.7314 -3.1780 -3.1780 -2.7382 -2.7382 -2.6608 -2.6608 -2.4891 -2.4891 4.1466 4.1466 4.4161 4.4161 5.5187 5.5187 5.6741 5.6741 6.2380 6.2380 6.8685 6.8685 7.4064 7.4064 7.4548 7.4548 7.5283 7.5283 7.6683 7.6683 8.1421 8.1421 8.2340 8.2340 8.3259 8.3259 8.4430 8.4430 8.9592 8.9592 9.0726 9.0726 12.2511 12.2511 13.4335 13.4335 13.8788 13.8788 14.0817 14.0817 k = 0.0000 0.0000 1.1180 ( 3444 PWs) bands (ev): -17.7452 -17.7452 -4.7312 -4.7312 -3.1492 -3.1492 -2.7615 -2.7615 -2.6586 -2.6586 -2.5006 -2.5006 4.1306 4.1306 4.4408 4.4408 5.4953 5.4953 5.6601 5.6601 6.2405 6.2405 6.8812 6.8812 7.4011 7.4011 7.4560 7.4560 7.5222 7.5222 7.6714 7.6714 8.1490 8.1490 8.2298 8.2298 8.2890 8.2890 8.4207 8.4207 8.9592 8.9592 9.0620 9.0620 12.2481 12.2481 13.4233 13.4233 13.9533 13.9533 14.1782 14.1782 k = 0.0000 0.0000 1.1399 ( 3450 PWs) bands (ev): -17.7440 -17.7440 -4.7310 -4.7310 -3.1199 -3.1199 -2.7871 -2.7871 -2.6578 -2.6578 -2.5086 -2.5086 4.1170 4.1170 4.4639 4.4639 5.4732 5.4732 5.6481 5.6481 6.2427 6.2427 6.8922 6.8922 7.3957 7.3957 7.4587 7.4587 7.5158 7.5158 7.6763 7.6763 8.1526 8.1526 8.2195 8.2195 8.2659 8.2659 8.3997 8.3997 8.9592 8.9592 9.0527 9.0527 12.2449 12.2449 13.4146 13.4146 14.0294 14.0294 14.2753 14.2753 k = 0.0000 0.0000 1.1618 ( 3446 PWs) bands (ev): -17.7430 -17.7430 -4.7309 -4.7309 -3.0903 -3.0903 -2.8142 -2.8142 -2.6581 -2.6581 -2.5137 -2.5137 4.1059 4.1059 4.4847 4.4847 5.4534 5.4534 5.6382 5.6382 6.2444 6.2444 6.9014 6.9014 7.3909 7.3909 7.4624 7.4624 7.5092 7.5092 7.6825 7.6825 8.1479 8.1479 8.2090 8.2090 8.2566 8.2566 8.3806 8.3806 8.9595 8.9595 9.0451 9.0451 12.2417 12.2417 13.4075 13.4075 14.1045 14.1045 14.3707 14.3707 k = 0.0000 0.0000 1.1837 ( 3458 PWs) bands (ev): -17.7422 -17.7422 -4.7307 -4.7307 -3.0610 -3.0610 -2.8419 -2.8419 -2.6590 -2.6590 -2.5165 -2.5165 4.0972 4.0972 4.5021 4.5021 5.4366 5.4366 5.6303 5.6303 6.2458 6.2458 6.9087 6.9087 7.3870 7.3870 7.4668 7.4668 7.5026 7.5026 7.6889 7.6889 8.1335 8.1335 8.2077 8.2077 8.2533 8.2533 8.3637 8.3637 8.9596 8.9596 9.0389 9.0389 12.2390 12.2390 13.4020 13.4020 14.1744 14.1744 14.4614 14.4614 k = 0.0000 0.0000 1.2057 ( 3456 PWs) bands (ev): -17.7417 -17.7417 -4.7306 -4.7306 -3.0332 -3.0332 -2.8687 -2.8687 -2.6600 -2.6600 -2.5180 -2.5180 4.0910 4.0910 4.5153 4.5153 5.4238 5.4238 5.6246 5.6246 6.2468 6.2468 6.9139 6.9139 7.3840 7.3840 7.4717 7.4717 7.4960 7.4960 7.6947 7.6947 8.1174 8.1174 8.2119 8.2119 8.2519 8.2519 8.3501 8.3501 8.9598 8.9598 9.0348 9.0348 12.2369 12.2369 13.3980 13.3980 14.2338 14.2338 14.5413 14.5413 k = 0.0000 0.0000 1.2276 ( 3456 PWs) bands (ev): -17.7414 -17.7414 -4.7306 -4.7306 -3.0104 -3.0104 -2.8911 -2.8911 -2.6608 -2.6608 -2.5187 -2.5187 4.0873 4.0873 4.5235 4.5235 5.4158 5.4158 5.6212 5.6212 6.2474 6.2474 6.9171 6.9171 7.3822 7.3822 7.4771 7.4771 7.4896 7.4896 7.6987 7.6987 8.1061 8.1061 8.2163 8.2163 8.2513 8.2513 8.3409 8.3409 8.9600 8.9600 9.0321 9.0321 12.2355 12.2355 13.3956 13.3956 14.2749 14.2749 14.6001 14.6001 k = 0.0000 0.0000 1.2495 ( 3464 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9009 -2.9009 -2.6611 -2.6611 -2.5188 -2.5188 4.0860 4.0860 4.5263 4.5263 5.4131 5.4131 5.6201 5.6201 6.2475 6.2475 6.9181 6.9181 7.3816 7.3816 7.4817 7.4817 7.4847 7.4847 7.7001 7.7001 8.1019 8.1019 8.2181 8.2181 8.2510 8.2510 8.3377 8.3377 8.9600 8.9600 9.0312 9.0312 12.2351 12.2351 13.3948 13.3948 14.2899 14.2899 14.6226 14.6226 k = 0.0000 0.0000 1.2495 ( 3464 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9009 -2.9009 -2.6611 -2.6611 -2.5188 -2.5188 4.0860 4.0860 4.5263 4.5263 5.4131 5.4131 5.6201 5.6201 6.2475 6.2475 6.9181 6.9181 7.3816 7.3816 7.4817 7.4817 7.4847 7.4847 7.7001 7.7001 8.1019 8.1019 8.2181 8.2181 8.2510 8.2510 8.3377 8.3377 8.9600 8.9600 9.0312 9.0312 12.2351 12.2351 13.3948 13.3948 14.2899 14.2899 14.6226 14.6226 k =-0.0079 0.0182 1.2495 ( 3456 PWs) bands (ev): -17.7413 -17.7413 -4.7305 -4.7305 -3.0079 -3.0079 -2.8931 -2.8931 -2.6621 -2.6621 -2.5180 -2.5180 4.0877 4.0877 4.5273 4.5273 5.4137 5.4137 5.6203 5.6203 6.2466 6.2466 6.9151 6.9151 7.3831 7.3831 7.4806 7.4806 7.4861 7.4861 7.6997 7.6997 8.1016 8.1016 8.2189 8.2189 8.2515 8.2515 8.3380 8.3380 8.9609 8.9609 9.0313 9.0313 12.2380 12.2380 13.3981 13.3981 14.2887 14.2887 14.6238 14.6238 k =-0.0159 0.0364 1.2495 ( 3444 PWs) bands (ev): -17.7416 -17.7416 -4.7306 -4.7306 -3.0257 -3.0257 -2.8744 -2.8744 -2.6651 -2.6651 -2.5157 -2.5157 4.0927 4.0927 4.5300 4.5300 5.4155 5.4155 5.6212 5.6212 6.2436 6.2436 6.9062 6.9062 7.3876 7.3876 7.4791 7.4791 7.4889 7.4889 7.6984 7.6984 8.1006 8.1006 8.2207 8.2207 8.2528 8.2528 8.3390 8.3390 8.9632 8.9632 9.0316 9.0316 12.2468 12.2468 13.4081 13.4081 14.2854 14.2854 14.6273 14.6273 k =-0.0238 0.0546 1.2495 ( 3436 PWs) bands (ev): -17.7421 -17.7421 -4.7306 -4.7306 -3.0478 -3.0478 -2.8510 -2.8510 -2.6699 -2.6699 -2.5116 -2.5116 4.1009 4.1009 4.5345 4.5345 5.4184 5.4184 5.6225 5.6225 6.2388 6.2388 6.8917 6.8917 7.3944 7.3944 7.4778 7.4778 7.4922 7.4922 7.6963 7.6963 8.0989 8.0989 8.2231 8.2231 8.2555 8.2555 8.3408 8.3408 8.9670 8.9670 9.0321 9.0321 12.2612 12.2612 13.4245 13.4245 14.2797 14.2797 14.6331 14.6331 k =-0.0318 0.0728 1.2495 ( 3442 PWs) bands (ev): -17.7427 -17.7427 -4.7307 -4.7307 -3.0713 -3.0713 -2.8260 -2.8260 -2.6765 -2.6765 -2.5057 -2.5057 4.1124 4.1124 4.5409 4.5409 5.4225 5.4225 5.6244 5.6244 6.2320 6.2320 6.8722 6.8722 7.4028 7.4028 7.4771 7.4771 7.4962 7.4962 7.6933 7.6933 8.0968 8.0968 8.2255 8.2255 8.2598 8.2598 8.3432 8.3432 8.9722 8.9722 9.0327 9.0327 12.2811 12.2811 13.4472 13.4472 14.2717 14.2717 14.6415 14.6415 k =-0.0397 0.0910 1.2495 ( 3450 PWs) bands (ev): -17.7435 -17.7435 -4.7307 -4.7307 -3.0951 -3.0951 -2.8013 -2.8013 -2.6842 -2.6842 -2.4979 -2.4979 4.1269 4.1269 4.5491 4.5491 5.4276 5.4276 5.6267 5.6267 6.2234 6.2234 6.8485 6.8485 7.4118 7.4118 7.4775 7.4775 7.5009 7.5009 7.6896 7.6896 8.0944 8.0944 8.2275 8.2275 8.2660 8.2660 8.3465 8.3465 8.9785 8.9785 9.0337 9.0337 12.3060 12.3060 13.4761 13.4761 14.2614 14.2614 14.6526 14.6526 k =-0.0477 0.1092 1.2495 ( 3446 PWs) bands (ev): -17.7444 -17.7444 -4.7308 -4.7308 -3.1185 -3.1185 -2.7788 -2.7788 -2.6919 -2.6919 -2.4879 -2.4879 4.1444 4.1444 4.5590 4.5590 5.4339 5.4339 5.6296 5.6296 6.2129 6.2129 6.8212 6.8212 7.4200 7.4200 7.4798 7.4798 7.5064 7.5064 7.6853 7.6853 8.0920 8.0920 8.2288 8.2288 8.2743 8.2743 8.3507 8.3507 8.9859 8.9859 9.0351 9.0351 12.3356 12.3356 13.5109 13.5109 14.2486 14.2486 14.6666 14.6666 k =-0.0477 0.1092 1.2495 ( 3446 PWs) bands (ev): -17.7444 -17.7444 -4.7308 -4.7308 -3.1185 -3.1185 -2.7788 -2.7788 -2.6919 -2.6919 -2.4879 -2.4879 4.1444 4.1444 4.5590 4.5590 5.4339 5.4339 5.6296 5.6296 6.2129 6.2129 6.8212 6.8212 7.4200 7.4200 7.4798 7.4798 7.5064 7.5064 7.6853 7.6853 8.0920 8.0920 8.2288 8.2288 8.2743 8.2743 8.3507 8.3507 8.9859 8.9859 9.0351 9.0351 12.3356 12.3356 13.5109 13.5109 14.2486 14.2486 14.6666 14.6666 k =-0.0538 0.1232 1.2342 ( 3444 PWs) bands (ev): -17.7454 -17.7454 -4.7309 -4.7309 -3.1374 -3.1374 -2.7643 -2.7643 -2.6953 -2.6953 -2.4787 -2.4787 4.1604 4.1604 4.5665 4.5665 5.4407 5.4407 5.6326 5.6326 6.2036 6.2036 6.7977 6.7977 7.4250 7.4250 7.4835 7.4835 7.5116 7.5116 7.6812 7.6812 8.0915 8.0915 8.2285 8.2285 8.2827 8.2827 8.3560 8.3560 8.9920 8.9920 9.0373 9.0373 12.3613 12.3613 13.5418 13.5418 14.2303 14.2303 14.6676 14.6676 k =-0.0599 0.1372 1.2190 ( 3444 PWs) bands (ev): -17.7465 -17.7465 -4.7311 -4.7311 -3.1577 -3.1577 -2.7554 -2.7554 -2.6926 -2.6926 -2.4680 -2.4680 4.1791 4.1791 4.5722 4.5722 5.4506 5.4506 5.6370 5.6370 6.1933 6.1933 6.7722 6.7722 7.4286 7.4286 7.4893 7.4893 7.5175 7.5175 7.6764 7.6764 8.0930 8.0930 8.2263 8.2263 8.2935 8.2935 8.3640 8.3640 8.9983 8.9983 9.0410 9.0410 12.3892 12.3892 13.5762 13.5762 14.1981 14.1981 14.6492 14.6492 k =-0.0660 0.1512 1.2037 ( 3446 PWs) bands (ev): -17.7478 -17.7478 -4.7315 -4.7315 -3.1789 -3.1789 -2.7550 -2.7550 -2.6815 -2.6815 -2.4557 -2.4557 4.2003 4.2003 4.5762 4.5762 5.4635 5.4635 5.6427 5.6427 6.1820 6.1820 6.7451 6.7451 7.4306 7.4306 7.4973 7.4973 7.5238 7.5238 7.6714 7.6714 8.0958 8.0958 8.2230 8.2230 8.3065 8.3065 8.3743 8.3743 9.0047 9.0047 9.0466 9.0466 12.4188 12.4188 13.6136 13.6136 14.1545 14.1545 14.6175 14.6175 k =-0.0721 0.1652 1.1884 ( 3450 PWs) bands (ev): -17.7493 -17.7493 -4.7320 -4.7320 -3.2002 -3.2002 -2.7610 -2.7610 -2.6648 -2.6648 -2.4417 -2.4417 4.2238 4.2238 4.5785 4.5785 5.4791 5.4791 5.6496 5.6496 6.1699 6.1699 6.7169 6.7169 7.4318 7.4318 7.5068 7.5068 7.5303 7.5303 7.6669 7.6669 8.0992 8.0992 8.2192 8.2192 8.3217 8.3217 8.3865 8.3865 9.0113 9.0113 9.0542 9.0542 12.4495 12.4495 13.6533 13.6533 14.1025 14.1025 14.5780 14.5780 k =-0.0782 0.1792 1.1731 ( 3451 PWs) bands (ev): -17.7509 -17.7509 -4.7328 -4.7328 -3.2214 -3.2214 -2.7700 -2.7700 -2.6461 -2.6461 -2.4260 -2.4260 4.2496 4.2496 4.5793 4.5793 5.4970 5.4970 5.6576 5.6576 6.1572 6.1572 6.6878 6.6878 7.4325 7.4325 7.5171 7.5171 7.5370 7.5370 7.6636 7.6636 8.1026 8.1026 8.2153 8.2153 8.3387 8.3387 8.4001 8.4001 9.0180 9.0180 9.0639 9.0639 12.4803 12.4803 13.6944 13.6944 14.0448 14.0448 14.5355 14.5355 k =-0.0843 0.1932 1.1579 ( 3447 PWs) bands (ev): -17.7527 -17.7527 -4.7339 -4.7339 -3.2422 -3.2422 -2.7807 -2.7807 -2.6271 -2.6271 -2.4085 -2.4085 4.2772 4.2772 4.5788 4.5788 5.5169 5.5169 5.6668 5.6668 6.1440 6.1440 6.6584 6.6584 7.4333 7.4333 7.5268 7.5268 7.5444 7.5444 7.6621 7.6621 8.1055 8.1055 8.2114 8.2114 8.3577 8.3577 8.4151 8.4151 9.0253 9.0253 9.0756 9.0756 12.5101 12.5101 13.7352 13.7352 13.9836 13.9836 14.4935 14.4935 k =-0.0905 0.2072 1.1426 ( 3449 PWs) bands (ev): -17.7547 -17.7547 -4.7354 -4.7354 -3.2623 -3.2623 -2.7923 -2.7923 -2.6087 -2.6087 -2.3893 -2.3893 4.3066 4.3066 4.5771 4.5771 5.5384 5.5384 5.6769 5.6769 6.1306 6.1306 6.6289 6.6289 7.4344 7.4344 7.5346 7.5346 7.5530 7.5530 7.6629 7.6629 8.1078 8.1078 8.2076 8.2076 8.3781 8.3781 8.4312 8.4312 9.0333 9.0333 9.0891 9.0891 12.5376 12.5376 13.7730 13.7730 13.9216 13.9216 14.4552 14.4552 k =-0.0966 0.2212 1.1273 ( 3449 PWs) bands (ev): -17.7568 -17.7568 -4.7373 -4.7373 -3.2817 -3.2817 -2.8044 -2.8044 -2.5912 -2.5912 -2.3685 -2.3685 4.3375 4.3375 4.5744 4.5744 5.5611 5.5611 5.6879 5.6879 6.1171 6.1171 6.5997 6.5997 7.4361 7.4361 7.5398 7.5398 7.5634 7.5634 7.6665 7.6665 8.1093 8.1093 8.2037 8.2037 8.3996 8.3996 8.4485 8.4485 9.0423 9.0423 9.1043 9.1043 12.5611 12.5611 13.8003 13.8003 13.8654 13.8654 14.4241 14.4241 k =-0.1027 0.2352 1.1120 ( 3453 PWs) bands (ev): -17.7591 -17.7591 -4.7396 -4.7396 -3.3002 -3.3002 -2.8168 -2.8168 -2.5745 -2.5745 -2.3465 -2.3465 4.3695 4.3695 4.5708 4.5708 5.5846 5.5846 5.6997 5.6997 6.1039 6.1039 6.5711 6.5711 7.4384 7.4384 7.5427 7.5427 7.5748 7.5748 7.6727 7.6727 8.1100 8.1100 8.2000 8.2000 8.4216 8.4216 8.4673 8.4673 9.0524 9.0524 9.1212 9.1212 12.5787 12.5787 13.7804 13.7804 13.8497 13.8497 14.4037 14.4037 k =-0.1088 0.2492 1.0968 ( 3449 PWs) bands (ev): -17.7614 -17.7614 -4.7423 -4.7423 -3.3178 -3.3178 -2.8294 -2.8294 -2.5586 -2.5586 -2.3234 -2.3234 4.4024 4.4024 4.5665 4.5665 5.6084 5.6084 5.7123 5.7123 6.0910 6.0910 6.5434 6.5434 7.4415 7.4415 7.5442 7.5442 7.5868 7.5868 7.6818 7.6818 8.1099 8.1099 8.1963 8.1963 8.4434 8.4434 8.4882 8.4882 9.0639 9.0639 9.1395 9.1395 12.5881 12.5881 13.7278 13.7278 13.8579 13.8579 14.3977 14.3977 k =-0.1149 0.2632 1.0815 ( 3448 PWs) bands (ev): -17.7639 -17.7639 -4.7456 -4.7456 -3.3344 -3.3344 -2.8420 -2.8420 -2.5433 -2.5433 -2.2995 -2.2995 4.4358 4.4358 4.5617 4.5617 5.6323 5.6323 5.7256 5.7256 6.0789 6.0789 6.5168 6.5168 7.4454 7.4454 7.5447 7.5447 7.5989 7.5989 7.6931 7.6931 8.1090 8.1090 8.1925 8.1925 8.4642 8.4642 8.5115 8.5115 9.0767 9.0767 9.1592 9.1592 12.5871 12.5871 13.6763 13.6763 13.8557 13.8557 14.4077 14.4077 k =-0.1210 0.2772 1.0662 ( 3444 PWs) bands (ev): -17.7664 -17.7664 -4.7493 -4.7493 -3.3500 -3.3500 -2.8546 -2.8546 -2.5285 -2.5285 -2.2752 -2.2752 4.4692 4.4692 4.5565 4.5565 5.6558 5.6558 5.7394 5.7394 6.0677 6.0677 6.4915 6.4915 7.4501 7.4501 7.5447 7.5447 7.6111 7.6111 7.7063 7.7063 8.1075 8.1075 8.1885 8.1885 8.4838 8.4838 8.5375 8.5375 9.0910 9.0910 9.1803 9.1803 12.5737 12.5737 13.6304 13.6304 13.8397 13.8397 14.4320 14.4320 k =-0.1271 0.2912 1.0509 ( 3446 PWs) bands (ev): -17.7690 -17.7690 -4.7536 -4.7536 -3.3646 -3.3646 -2.8670 -2.8670 -2.5141 -2.5141 -2.2506 -2.2506 4.5014 4.5014 4.5520 4.5520 5.6785 5.6785 5.7538 5.7538 6.0577 6.0577 6.4678 6.4678 7.4556 7.4556 7.5445 7.5445 7.6236 7.6236 7.7209 7.7209 8.1052 8.1052 8.1843 8.1843 8.5021 8.5021 8.5662 8.5662 9.1067 9.1067 9.2026 9.2026 12.5467 12.5467 13.5912 13.5912 13.8114 13.8114 14.4632 14.4632 k =-0.1332 0.3052 1.0357 ( 3442 PWs) bands (ev): -17.7717 -17.7717 -4.7583 -4.7583 -3.3784 -3.3784 -2.8793 -2.8793 -2.4998 -2.4998 -2.2261 -2.2261 4.5260 4.5260 4.5541 4.5541 5.7002 5.7002 5.7687 5.7687 6.0492 6.0492 6.4458 6.4458 7.4618 7.4618 7.5444 7.5444 7.6362 7.6362 7.7364 7.7364 8.1023 8.1023 8.1799 8.1799 8.5196 8.5196 8.5971 8.5971 9.1237 9.1237 9.2260 9.2260 12.5059 12.5059 13.5582 13.5582 13.7734 13.7734 14.4354 14.4354 k =-0.1394 0.3191 1.0204 ( 3444 PWs) bands (ev): -17.7744 -17.7744 -4.7635 -4.7635 -3.3912 -3.3912 -2.8913 -2.8913 -2.4856 -2.4856 -2.2017 -2.2017 4.5286 4.5286 4.5771 4.5771 5.7207 5.7207 5.7841 5.7841 6.0423 6.0423 6.4256 6.4256 7.4688 7.4688 7.5446 7.5446 7.6490 7.6490 7.7525 7.7525 8.0987 8.0987 8.1752 8.1752 8.5364 8.5364 8.6303 8.6303 9.1419 9.1419 9.2502 9.2502 12.4525 12.4525 13.5300 13.5300 13.7280 13.7280 14.4022 14.4022 k =-0.1455 0.3331 1.0051 ( 3438 PWs) bands (ev): -17.7771 -17.7771 -4.7691 -4.7691 -3.4031 -3.4031 -2.9029 -2.9029 -2.4713 -2.4713 -2.1776 -2.1776 4.5226 4.5226 4.6074 4.6074 5.7397 5.7397 5.7999 5.7999 6.0371 6.0371 6.4072 6.4072 7.4764 7.4764 7.5453 7.5453 7.6620 7.6620 7.7690 7.7690 8.0945 8.0945 8.1701 8.1701 8.5529 8.5529 8.6655 8.6655 9.1610 9.1610 9.2753 9.2753 12.3884 12.3884 13.5044 13.5044 13.6763 13.6763 14.3809 14.3809 k =-0.1516 0.3471 0.9898 ( 3436 PWs) bands (ev): -17.7798 -17.7798 -4.7751 -4.7751 -3.4143 -3.4143 -2.9142 -2.9142 -2.4571 -2.4571 -2.1541 -2.1541 4.5146 4.5146 4.6377 4.6377 5.7571 5.7571 5.8162 5.8162 6.0338 6.0338 6.3908 6.3908 7.4845 7.4845 7.5466 7.5466 7.6753 7.6753 7.7856 7.7856 8.0898 8.0898 8.1647 8.1647 8.5693 8.5693 8.7028 8.7028 9.1807 9.1807 9.3010 9.3010 12.3160 12.3160 13.4797 13.4797 13.6188 13.6188 14.3723 14.3723 k =-0.1577 0.3611 0.9745 ( 3436 PWs) bands (ev): -17.7825 -17.7825 -4.7814 -4.7814 -3.4247 -3.4247 -2.9250 -2.9250 -2.4427 -2.4427 -2.1311 -2.1311 4.5058 4.5058 4.6670 4.6670 5.7729 5.7729 5.8328 5.8328 6.0324 6.0324 6.3761 6.3761 7.4929 7.4929 7.5487 7.5487 7.6887 7.6887 7.8020 7.8020 8.0845 8.0845 8.1589 8.1589 8.5857 8.5857 8.7423 8.7423 9.2007 9.2007 9.3271 9.3271 12.2377 12.2377 13.4548 13.4548 13.5557 13.5557 14.3755 14.3755 k =-0.1638 0.3751 0.9593 ( 3434 PWs) bands (ev): -17.7852 -17.7852 -4.7880 -4.7880 -3.4345 -3.4345 -2.9355 -2.9355 -2.4284 -2.4284 -2.1088 -2.1088 4.4962 4.4962 4.6947 4.6947 5.7873 5.7873 5.8499 5.8499 6.0327 6.0327 6.3632 6.3632 7.5014 7.5014 7.5518 7.5518 7.7022 7.7022 7.8181 7.8181 8.0788 8.0788 8.1527 8.1527 8.6024 8.6024 8.7840 8.7840 9.2205 9.2205 9.3535 9.3535 12.1558 12.1558 13.4294 13.4294 13.4868 13.4868 14.3879 14.3879 k =-0.1699 0.3891 0.9440 ( 3430 PWs) bands (ev): -17.7879 -17.7879 -4.7948 -4.7948 -3.4435 -3.4435 -2.9454 -2.9454 -2.4140 -2.4140 -2.0872 -2.0872 4.4861 4.4861 4.7206 4.7206 5.8003 5.8003 5.8673 5.8673 6.0345 6.0345 6.3519 6.3519 7.5098 7.5098 7.5561 7.5561 7.7157 7.7157 7.8337 7.8337 8.0727 8.0727 8.1461 8.1461 8.6195 8.6195 8.8280 8.8280 9.2397 9.2397 9.3800 9.3800 12.0721 12.0721 13.4038 13.4038 13.4119 13.4119 14.3898 14.3898 k =-0.1760 0.4031 0.9287 ( 3426 PWs) bands (ev): -17.7904 -17.7904 -4.8016 -4.8016 -3.4520 -3.4520 -2.9548 -2.9548 -2.3997 -2.3997 -2.0665 -2.0665 4.4755 4.4755 4.7446 4.7446 5.8123 5.8123 5.8852 5.8852 6.0376 6.0376 6.3421 6.3421 7.5177 7.5177 7.5618 7.5618 7.7292 7.7292 7.8487 7.8487 8.0663 8.0663 8.1390 8.1390 8.6372 8.6372 8.8743 8.8743 9.2576 9.2576 9.4063 9.4063 11.9883 11.9883 13.3302 13.3302 13.3796 13.3796 14.3388 14.3388 k =-0.1821 0.4171 0.9134 ( 3423 PWs) bands (ev): -17.7930 -17.7930 -4.8086 -4.8086 -3.4599 -3.4599 -2.9636 -2.9636 -2.3855 -2.3855 -2.0466 -2.0466 4.4646 4.4646 4.7664 4.7664 5.8235 5.8235 5.9034 5.9034 6.0416 6.0416 6.3335 6.3335 7.5249 7.5249 7.5690 7.5690 7.7424 7.7424 7.8628 7.8628 8.0596 8.0596 8.1315 8.1315 8.6558 8.6558 8.9228 8.9228 9.2740 9.2740 9.4324 9.4324 11.9057 11.9057 13.2427 13.2427 13.3571 13.3571 14.2803 14.2803 k =-0.1883 0.4311 0.8982 ( 3427 PWs) bands (ev): -17.7954 -17.7954 -4.8154 -4.8154 -3.4673 -3.4673 -2.9720 -2.9720 -2.3716 -2.3716 -2.0277 -2.0277 4.4533 4.4533 4.7860 4.7860 5.8341 5.8341 5.9221 5.9221 6.0462 6.0462 6.3258 6.3258 7.5312 7.5312 7.5777 7.5777 7.7554 7.7554 7.8760 7.8760 8.0528 8.0528 8.1237 8.1237 8.6753 8.6753 8.9734 8.9734 9.2880 9.2880 9.4581 9.4581 11.8254 11.8254 13.1496 13.1496 13.3376 13.3376 14.2257 14.2257 k =-0.1944 0.4451 0.8829 ( 3432 PWs) bands (ev): -17.7977 -17.7977 -4.8222 -4.8222 -3.4742 -3.4742 -2.9797 -2.9797 -2.3579 -2.3579 -2.0098 -2.0098 4.4418 4.4418 4.8035 4.8035 5.8443 5.8443 5.9412 5.9412 6.0511 6.0511 6.3189 6.3189 7.5370 7.5370 7.5877 7.5877 7.7679 7.7679 7.8882 7.8882 8.0460 8.0460 8.1156 8.1156 8.6958 8.6958 9.0259 9.0259 9.2993 9.2993 9.4832 9.4832 11.7483 11.7483 13.0519 13.0519 13.3223 13.3223 14.1770 14.1770 k =-0.2005 0.4591 0.8676 ( 3434 PWs) bands (ev): -17.7999 -17.7999 -4.8288 -4.8288 -3.4806 -3.4806 -2.9869 -2.9869 -2.3447 -2.3447 -1.9928 -1.9928 4.4303 4.4303 4.8189 4.8189 5.8543 5.8543 5.9605 5.9605 6.0560 6.0560 6.3125 6.3125 7.5423 7.5423 7.5985 7.5985 7.7798 7.7798 7.8994 7.8994 8.0394 8.0394 8.1072 8.1072 8.7177 8.7177 9.0800 9.0800 9.3075 9.3075 9.5076 9.5076 11.6751 11.6751 12.9510 12.9510 13.3119 13.3119 14.1350 14.1350 k =-0.2066 0.4731 0.8523 ( 3436 PWs) bands (ev): -17.8020 -17.8020 -4.8352 -4.8352 -3.4865 -3.4865 -2.9935 -2.9935 -2.3321 -2.3321 -1.9770 -1.9770 4.4189 4.4189 4.8322 4.8322 5.8641 5.8641 5.9802 5.9802 6.0606 6.0606 6.3064 6.3064 7.5472 7.5472 7.6100 7.6100 7.7910 7.7910 7.9093 7.9093 8.0331 8.0331 8.0987 8.0987 8.7408 8.7408 9.1352 9.1352 9.3122 9.3122 9.5313 9.5313 11.6063 11.6063 12.8482 12.8482 13.3072 13.3072 14.0994 14.0994 k =-0.2127 0.4871 0.8371 ( 3439 PWs) bands (ev): -17.8040 -17.8040 -4.8412 -4.8412 -3.4919 -3.4919 -2.9996 -2.9996 -2.3201 -2.3201 -1.9623 -1.9623 4.4077 4.4077 4.8437 4.8437 5.8738 5.8738 5.9999 5.9999 6.0649 6.0649 6.3002 6.3002 7.5520 7.5520 7.6218 7.6218 7.8014 7.8014 7.9179 7.9179 8.0273 8.0273 8.0901 8.0901 8.7652 8.7652 9.1909 9.1909 9.3133 9.3133 9.5540 9.5540 11.5424 11.5424 12.7453 12.7453 13.3086 13.3086 14.0699 14.0699 k =-0.2188 0.5011 0.8218 ( 3433 PWs) bands (ev): -17.8057 -17.8057 -4.8469 -4.8469 -3.4968 -3.4968 -3.0050 -3.0050 -2.3089 -2.3089 -1.9488 -1.9488 4.3970 4.3970 4.8533 4.8533 5.8834 5.8834 6.0196 6.0196 6.0688 6.0688 6.2939 6.2939 7.5565 7.5565 7.6336 7.6336 7.8108 7.8108 7.9251 7.9251 8.0222 8.0222 8.0816 8.0816 8.7910 8.7910 9.2461 9.2461 9.3108 9.3108 9.5756 9.5756 11.4838 11.4838 12.6439 12.6439 13.3166 13.3166 14.0459 14.0459 k =-0.2249 0.5151 0.8065 ( 3427 PWs) bands (ev): -17.8074 -17.8074 -4.8521 -4.8521 -3.5013 -3.5013 -3.0099 -3.0099 -2.2986 -2.2986 -1.9365 -1.9365 4.3868 4.3868 4.8614 4.8614 5.8926 5.8926 6.0388 6.0388 6.0725 6.0725 6.2873 6.2873 7.5609 7.5609 7.6452 7.6452 7.8193 7.8193 7.9309 7.9309 8.0180 8.0180 8.0734 8.0734 8.8180 8.8180 9.2942 9.2942 9.3105 9.3105 9.5961 9.5961 11.4307 11.4307 12.5459 12.5459 13.3313 13.3313 14.0266 14.0266 k =-0.2310 0.5291 0.7912 ( 3427 PWs) bands (ev): -17.8088 -17.8088 -4.8569 -4.8569 -3.5053 -3.5053 -3.0142 -3.0142 -2.2892 -2.2892 -1.9255 -1.9255 4.3774 4.3774 4.8681 4.8681 5.9015 5.9015 6.0566 6.0566 6.0766 6.0766 6.2802 6.2802 7.5650 7.5650 7.6563 7.6563 7.8266 7.8266 7.9353 7.9353 8.0145 8.0145 8.0655 8.0655 8.8459 8.8459 9.2916 9.2916 9.3550 9.3550 9.6153 9.6153 11.3834 11.3834 12.4530 12.4530 13.3527 13.3527 14.0113 14.0113 k =-0.2372 0.5431 0.7760 ( 3425 PWs) bands (ev): -17.8101 -17.8101 -4.8611 -4.8611 -3.5087 -3.5087 -3.0179 -3.0179 -2.2809 -2.2809 -1.9158 -1.9158 4.3689 4.3689 4.8734 4.8734 5.9098 5.9098 6.0689 6.0689 6.0850 6.0850 6.2725 6.2725 7.5687 7.5687 7.6667 7.6667 7.8328 7.8328 7.9382 7.9382 8.0120 8.0120 8.0583 8.0583 8.8745 8.8745 9.2785 9.2785 9.4031 9.4031 9.6333 9.6333 11.3421 11.3421 12.3670 12.3670 13.3804 13.3804 13.9995 13.9995 k =-0.2433 0.5571 0.7607 ( 3425 PWs) bands (ev): -17.8112 -17.8112 -4.8647 -4.8647 -3.5117 -3.5117 -3.0210 -3.0210 -2.2738 -2.2738 -1.9075 -1.9075 4.3614 4.3614 4.8777 4.8777 5.9174 5.9174 6.0734 6.0734 6.1000 6.1000 6.2642 6.2642 7.5722 7.5722 7.6761 7.6761 7.8380 7.8380 7.9401 7.9401 8.0101 8.0101 8.0519 8.0519 8.9033 8.9033 9.2623 9.2623 9.4467 9.4467 9.6500 9.6500 11.3069 11.3069 12.2899 12.2899 13.4137 13.4137 13.9904 13.9904 k =-0.2494 0.5711 0.7454 ( 3428 PWs) bands (ev): -17.8121 -17.8121 -4.8677 -4.8677 -3.5141 -3.5141 -3.0236 -3.0236 -2.2678 -2.2678 -1.9006 -1.9006 4.3551 4.3551 4.8810 4.8810 5.9239 5.9239 6.0751 6.0751 6.1163 6.1163 6.2556 6.2556 7.5751 7.5751 7.6842 7.6842 7.8420 7.8420 7.9410 7.9410 8.0088 8.0088 8.0465 8.0465 8.9315 8.9315 9.2441 9.2441 9.4839 9.4839 9.6651 9.6651 11.2779 11.2779 12.2234 12.2234 13.4514 13.4514 13.9833 13.9833 k =-0.2555 0.5851 0.7301 ( 3430 PWs) bands (ev): -17.8129 -17.8129 -4.8701 -4.8701 -3.5160 -3.5160 -3.0256 -3.0256 -2.2631 -2.2631 -1.8953 -1.8953 4.3501 4.3501 4.8834 4.8834 5.9293 5.9293 6.0758 6.0758 6.1315 6.1315 6.2468 6.2468 7.5775 7.5775 7.6909 7.6909 7.8451 7.8451 7.9413 7.9413 8.0077 8.0077 8.0424 8.0424 8.9580 8.9580 9.2253 9.2253 9.5136 9.5136 9.6782 9.6782 11.2553 11.2553 12.1694 12.1694 13.4911 13.4911 13.9773 13.9773 k =-0.2616 0.5991 0.7149 ( 3434 PWs) bands (ev): -17.8134 -17.8134 -4.8718 -4.8718 -3.5174 -3.5174 -3.0270 -3.0270 -2.2598 -2.2598 -1.8914 -1.8914 4.3464 4.3464 4.8851 4.8851 5.9334 5.9334 6.0762 6.0762 6.1445 6.1445 6.2385 6.2385 7.5793 7.5793 7.6959 7.6959 7.8472 7.8472 7.9414 7.9414 8.0068 8.0068 8.0396 8.0396 8.9809 8.9809 9.2079 9.2079 9.5349 9.5349 9.6887 9.6887 11.2391 11.2391 12.1294 12.1294 13.5288 13.5288 13.9708 13.9708 k =-0.2677 0.6131 0.6996 ( 3442 PWs) bands (ev): -17.8137 -17.8137 -4.8728 -4.8728 -3.5182 -3.5182 -3.0279 -3.0279 -2.2577 -2.2577 -1.8891 -1.8891 4.3442 4.3442 4.8860 4.8860 5.9359 5.9359 6.0763 6.0763 6.1538 6.1538 6.2321 6.2321 7.5803 7.5803 7.6989 7.6989 7.8484 7.8484 7.9413 7.9413 8.0062 8.0062 8.0379 8.0379 8.9970 8.9970 9.1949 9.1949 9.5477 9.5477 9.6956 9.6956 11.2293 11.2293 12.1048 12.1048 13.5577 13.5577 13.9615 13.9615 k =-0.2738 0.6271 0.6843 ( 3440 PWs) bands (ev): -17.8138 -17.8138 -4.8732 -4.8732 -3.5185 -3.5185 -3.0282 -3.0282 -2.2571 -2.2571 -1.8883 -1.8883 4.3435 4.3435 4.8864 4.8864 5.9367 5.9367 6.0764 6.0764 6.1574 6.1574 6.2296 6.2296 7.5807 7.5807 7.7000 7.7000 7.8488 7.8488 7.9413 7.9413 8.0060 8.0060 8.0374 8.0374 9.0031 9.0031 9.1899 9.1899 9.5519 9.5519 9.6981 9.6981 11.2261 11.2261 12.0966 12.0966 13.5690 13.5690 13.9552 13.9552 k =-0.2738 0.6271 0.6843 ( 3440 PWs) bands (ev): -17.8138 -17.8138 -4.8732 -4.8732 -3.5185 -3.5185 -3.0282 -3.0282 -2.2571 -2.2571 -1.8883 -1.8883 4.3435 4.3435 4.8864 4.8864 5.9367 5.9367 6.0764 6.0764 6.1574 6.1574 6.2296 6.2296 7.5807 7.5807 7.7000 7.7000 7.8488 7.8488 7.9413 7.9413 8.0060 8.0060 8.0374 8.0374 9.0031 9.0031 9.1899 9.1899 9.5519 9.5519 9.6981 9.6981 11.2261 11.2261 12.0966 12.0966 13.5690 13.5690 13.9552 13.9552 k =-0.2677 0.6132 0.6691 ( 3436 PWs) bands (ev): -17.8130 -17.8130 -4.8788 -4.8788 -3.5091 -3.5091 -3.0178 -3.0178 -2.2689 -2.2689 -1.8942 -1.8942 4.3310 4.3310 4.9031 4.9031 5.9189 5.9189 6.0664 6.0664 6.1676 6.1676 6.2346 6.2346 7.5998 7.5998 7.6989 7.6989 7.8431 7.8431 7.9259 7.9259 7.9961 7.9961 8.0338 8.0338 8.9902 8.9902 9.1964 9.1964 9.5530 9.5530 9.6784 9.6784 11.2619 11.2619 12.1147 12.1147 13.6217 13.6217 13.9667 13.9667 k =-0.2617 0.5993 0.6539 ( 3428 PWs) bands (ev): -17.8125 -17.8125 -4.8831 -4.8831 -3.5025 -3.5025 -3.0059 -3.0059 -2.2795 -2.2795 -1.9012 -1.9012 4.3223 4.3223 4.9214 4.9214 5.8981 5.8981 6.0570 6.0570 6.1776 6.1776 6.2390 6.2390 7.6174 7.6174 7.6953 7.6953 7.8413 7.8413 7.9125 7.9125 7.9874 7.9874 8.0318 8.0318 8.9768 8.9768 9.2039 9.2039 9.5536 9.5536 9.6586 9.6586 11.3015 11.3015 12.1367 12.1367 13.6733 13.6733 13.9765 13.9765 k =-0.2556 0.5853 0.6387 ( 3422 PWs) bands (ev): -17.8121 -17.8121 -4.8861 -4.8861 -3.4988 -3.4988 -2.9928 -2.9928 -2.2886 -2.2886 -1.9093 -1.9093 4.3173 4.3173 4.9413 4.9413 5.8743 5.8743 6.0481 6.0481 6.1873 6.1873 6.2427 6.2427 7.6328 7.6328 7.6886 7.6886 7.8439 7.8439 7.9016 7.9016 7.9800 7.9800 8.0312 8.0312 8.9631 8.9631 9.2123 9.2123 9.5530 9.5530 9.6394 9.6394 11.3442 11.3442 12.1623 12.1623 13.7232 13.7232 13.9890 13.9890 k =-0.2495 0.5714 0.6235 ( 3426 PWs) bands (ev): -17.8121 -17.8121 -4.8878 -4.8878 -3.4978 -3.4978 -2.9789 -2.9789 -2.2959 -2.2959 -1.9184 -1.9184 4.3159 4.3159 4.9628 4.9628 5.8477 5.8477 6.0398 6.0398 6.1966 6.1966 6.2459 6.2459 7.6450 7.6450 7.6796 7.6796 7.8509 7.8509 7.8934 7.8934 7.9738 7.9738 8.0321 8.0321 8.9496 8.9496 9.2217 9.2217 9.5496 9.5496 9.6225 9.6225 11.3893 11.3893 12.1914 12.1914 13.7709 13.7709 14.0054 14.0054 k =-0.2434 0.5575 0.6083 ( 3426 PWs) bands (ev): -17.8122 -17.8122 -4.8880 -4.8880 -3.4996 -3.4996 -2.9646 -2.9646 -2.3012 -2.3012 -1.9285 -1.9285 4.3180 4.3180 4.9858 4.9858 5.8184 5.8184 6.0322 6.0322 6.2054 6.2054 6.2486 6.2486 7.6492 7.6492 7.6737 7.6737 7.8616 7.8616 7.8884 7.8884 7.9689 7.9689 8.0344 8.0344 8.9366 8.9366 9.2322 9.2322 9.5413 9.5413 9.6101 9.6101 11.4362 11.4362 12.2237 12.2237 13.8159 13.8159 14.0260 14.0260 k =-0.2373 0.5435 0.5931 ( 3434 PWs) bands (ev): -17.8126 -17.8126 -4.8868 -4.8868 -3.5037 -3.5037 -2.9504 -2.9504 -2.3042 -2.3042 -1.9394 -1.9394 4.3235 4.3235 5.0104 5.0104 5.7867 5.7867 6.0251 6.0251 6.2135 6.2135 6.2509 6.2509 7.6389 7.6389 7.6775 7.6775 7.8740 7.8740 7.8878 7.8878 7.9655 7.9655 8.0383 8.0383 8.9244 8.9244 9.2436 9.2436 9.5269 9.5269 9.6036 9.6036 11.4844 11.4844 12.2592 12.2592 13.8574 13.8574 14.0510 14.0510 k =-0.2312 0.5296 0.5779 ( 3432 PWs) bands (ev): -17.8132 -17.8132 -4.8842 -4.8842 -3.5101 -3.5101 -2.9369 -2.9369 -2.3046 -2.3046 -1.9510 -1.9510 4.3321 4.3321 5.0364 5.0364 5.7529 5.7529 6.0187 6.0187 6.2207 6.2207 6.2531 6.2531 7.6219 7.6219 7.6846 7.6846 7.8816 7.8816 7.8972 7.8972 7.9635 7.9635 8.0437 8.0437 8.9131 8.9131 9.2560 9.2560 9.5075 9.5075 9.6021 9.6021 11.5332 11.5332 12.2975 12.2975 13.8947 13.8947 14.0802 14.0802 k =-0.2252 0.5156 0.5627 ( 3424 PWs) bands (ev): -17.8140 -17.8140 -4.8803 -4.8803 -3.5184 -3.5184 -2.9247 -2.9247 -2.3023 -2.3023 -1.9633 -1.9633 4.3438 4.3438 5.0638 5.0638 5.7174 5.7174 6.0128 6.0128 6.2265 6.2265 6.2556 6.2556 7.6023 7.6023 7.6914 7.6914 7.8855 7.8855 7.9144 7.9144 7.9631 7.9631 8.0507 8.0507 8.9031 8.9031 9.2695 9.2695 9.4851 9.4851 9.6036 9.6036 11.5819 11.5819 12.3383 12.3383 13.9269 13.9269 14.1136 14.1136 k =-0.2191 0.5017 0.5474 ( 3424 PWs) bands (ev): -17.8150 -17.8150 -4.8750 -4.8750 -3.5284 -3.5284 -2.9141 -2.9141 -2.2969 -2.2969 -1.9761 -1.9761 4.3581 4.3581 5.0927 5.0927 5.6805 5.6805 6.0076 6.0076 6.2304 6.2304 6.2591 6.2591 7.5813 7.5813 7.6975 7.6975 7.8903 7.8903 7.9334 7.9334 7.9648 7.9648 8.0591 8.0591 8.8944 8.8944 9.2838 9.2838 9.4611 9.4611 9.6071 9.6071 11.6299 11.6299 12.3815 12.3815 13.9532 13.9532 14.1509 14.1509 k =-0.2130 0.4878 0.5322 ( 3428 PWs) bands (ev): -17.8163 -17.8163 -4.8684 -4.8684 -3.5397 -3.5397 -2.9058 -2.9058 -2.2885 -2.2885 -1.9893 -1.9893 4.3747 4.3747 5.1229 5.1229 5.6428 5.6428 6.0028 6.0028 6.2320 6.2320 6.2636 6.2636 7.5593 7.5593 7.7029 7.7029 7.8962 7.8962 7.9512 7.9512 7.9703 7.9703 8.0690 8.0690 8.8872 8.8872 9.2989 9.2989 9.4364 9.4364 9.6118 9.6118 11.6764 11.6764 12.4266 12.4266 13.9725 13.9725 14.1920 14.1920 k =-0.2069 0.4738 0.5170 ( 3422 PWs) bands (ev): -17.8177 -17.8177 -4.8606 -4.8606 -3.5522 -3.5522 -2.8998 -2.8998 -2.2770 -2.2770 -2.0028 -2.0028 4.3933 4.3933 5.1545 5.1545 5.6047 5.6047 5.9986 5.9986 6.2317 6.2317 6.2691 6.2691 7.5369 7.5369 7.7080 7.7080 7.9031 7.9031 7.9631 7.9631 7.9840 7.9840 8.0805 8.0805 8.8817 8.8817 9.3143 9.3143 9.4119 9.4119 9.6176 9.6176 11.7207 11.7207 12.4734 12.4734 13.9838 13.9838 14.2368 14.2368 k =-0.2008 0.4599 0.5018 ( 3426 PWs) bands (ev): -17.8194 -17.8194 -4.8516 -4.8516 -3.5656 -3.5656 -2.8964 -2.8964 -2.2625 -2.2625 -2.0164 -2.0164 4.4132 4.4132 5.1874 5.1874 5.5668 5.5668 5.9950 5.9950 6.2298 6.2298 6.2751 6.2751 7.5142 7.5142 7.7129 7.7129 7.9103 7.9103 7.9710 7.9710 8.0037 8.0037 8.0933 8.0933 8.8779 8.8779 9.3285 9.3285 9.3894 9.3894 9.6243 9.6243 11.7621 11.7621 12.5216 12.5216 13.9861 13.9861 14.2852 14.2852 k =-0.1947 0.4460 0.4866 ( 3424 PWs) bands (ev): -17.8212 -17.8212 -4.8416 -4.8416 -3.5796 -3.5796 -2.8955 -2.8955 -2.2452 -2.2452 -2.0301 -2.0301 4.4340 4.4340 5.2216 5.2216 5.5298 5.5298 5.9919 5.9919 6.2269 6.2269 6.2813 6.2813 7.4914 7.4914 7.7178 7.7178 7.9175 7.9175 7.9793 7.9793 8.0249 8.0249 8.1075 8.1075 8.8759 8.8759 9.3341 9.3341 9.3766 9.3766 9.6317 9.6317 11.7996 11.7996 12.5707 12.5707 13.9786 13.9786 14.3371 14.3371 k =-0.1886 0.4320 0.4714 ( 3426 PWs) bands (ev): -17.8232 -17.8232 -4.8306 -4.8306 -3.5942 -3.5942 -2.8972 -2.8972 -2.2253 -2.2253 -2.0437 -2.0437 4.4550 4.4550 5.2569 5.2569 5.4946 5.4946 5.9892 5.9892 6.2229 6.2229 6.2873 6.2873 7.4685 7.4685 7.7229 7.7229 7.9244 7.9244 7.9890 7.9890 8.0463 8.0463 8.1231 8.1231 8.8760 8.8760 9.3202 9.3202 9.3842 9.3842 9.6400 9.6400 11.8325 11.8325 12.6205 12.6205 13.9604 13.9604 14.3730 14.3730 k =-0.1826 0.4181 0.4562 ( 3428 PWs) bands (ev): -17.8254 -17.8254 -4.8186 -4.8186 -3.6089 -3.6089 -2.9012 -2.9012 -2.2033 -2.2033 -2.0571 -2.0571 4.4753 4.4753 5.2934 5.2934 5.4619 5.4619 5.9870 5.9870 6.2182 6.2182 6.2932 6.2932 7.4458 7.4458 7.7281 7.7281 7.9309 7.9309 8.0002 8.0002 8.0675 8.0675 8.1400 8.1400 8.8781 8.8781 9.2977 9.2977 9.4016 9.4016 9.6490 9.6490 11.8599 11.8599 12.6705 12.6705 13.9305 13.9305 14.2780 14.2780 k =-0.1765 0.4042 0.4410 ( 3432 PWs) bands (ev): -17.8277 -17.8277 -4.8060 -4.8060 -3.6237 -3.6237 -2.9074 -2.9074 -2.1795 -2.1795 -2.0701 -2.0701 4.4939 4.4939 5.3307 5.3307 5.4331 5.4331 5.9852 5.9852 6.2129 6.2129 6.2988 6.2988 7.4232 7.4232 7.7335 7.7335 7.9369 7.9369 8.0129 8.0129 8.0882 8.0882 8.1579 8.1579 8.8823 8.8823 9.2736 9.2736 9.4220 9.4220 9.6588 9.6588 11.8809 11.8809 12.7205 12.7205 13.8868 13.8868 14.1844 14.1844 k =-0.1704 0.3902 0.4258 ( 3428 PWs) bands (ev): -17.8302 -17.8302 -4.7927 -4.7927 -3.6384 -3.6384 -2.9156 -2.9156 -2.1543 -2.1543 -2.0828 -2.0828 4.5100 4.5100 5.3673 5.3673 5.4105 5.4105 5.9838 5.9838 6.2070 6.2070 6.3042 6.3042 7.4010 7.4010 7.7392 7.7392 7.9424 7.9424 8.0270 8.0270 8.1084 8.1084 8.1770 8.1770 8.8887 8.8887 9.2493 9.2493 9.4439 9.4439 9.6694 9.6694 11.8947 11.8947 12.7701 12.7701 13.8269 13.8269 14.0978 14.0978 k =-0.1643 0.3763 0.4106 ( 3428 PWs) bands (ev): -17.8327 -17.8327 -4.7789 -4.7789 -3.6528 -3.6528 -2.9254 -2.9254 -2.1280 -2.1280 -2.0949 -2.0949 4.5224 4.5224 5.3819 5.3819 5.4165 5.4165 5.9828 5.9828 6.2006 6.2006 6.3092 6.3092 7.3791 7.3791 7.7450 7.7450 7.9476 7.9476 8.0421 8.0421 8.1280 8.1280 8.1969 8.1969 8.8972 8.8972 9.2253 9.2253 9.4669 9.4669 9.6807 9.6807 11.9004 11.9004 12.8189 12.8189 13.7492 13.7492 14.0224 14.0224 k =-0.1582 0.3623 0.3954 ( 3432 PWs) bands (ev): -17.8354 -17.8354 -4.7647 -4.7647 -3.6668 -3.6668 -2.9367 -2.9367 -2.1075 -2.1075 -2.0998 -2.0998 4.5300 4.5300 5.3722 5.3722 5.4543 5.4543 5.9821 5.9821 6.1938 6.1938 6.3139 6.3139 7.3576 7.3576 7.7510 7.7510 7.9524 7.9524 8.0582 8.0582 8.1471 8.1471 8.2173 8.2173 8.9080 8.9080 9.2019 9.2019 9.4907 9.4907 9.6927 9.6927 11.8974 11.8974 12.8668 12.8668 13.6557 13.6557 13.9586 13.9586 k =-0.1521 0.3484 0.3802 ( 3424 PWs) bands (ev): -17.8382 -17.8382 -4.7503 -4.7503 -3.6802 -3.6802 -2.9493 -2.9493 -2.1178 -2.1178 -2.0728 -2.0728 4.5322 4.5322 5.3671 5.3671 5.4955 5.4955 5.9817 5.9817 6.1867 6.1867 6.3183 6.3183 7.3367 7.3367 7.7570 7.7570 7.9569 7.9569 8.0750 8.0750 8.1657 8.1657 8.2383 8.2383 8.9210 8.9210 9.1795 9.1795 9.5153 9.5153 9.7054 9.7054 11.8852 11.8852 12.9133 12.9133 13.5511 13.5511 13.9041 13.9041 k =-0.1460 0.3345 0.3650 ( 3416 PWs) bands (ev): -17.8410 -17.8410 -4.7358 -4.7358 -3.6928 -3.6928 -2.9629 -2.9629 -2.1280 -2.1280 -2.0450 -2.0450 4.5284 4.5284 5.3693 5.3693 5.5380 5.5380 5.9817 5.9817 6.1794 6.1794 6.3223 6.3223 7.3162 7.3162 7.7631 7.7631 7.9613 7.9613 8.0924 8.0924 8.1839 8.1839 8.2595 8.2595 8.9361 8.9361 9.1581 9.1581 9.5403 9.5403 9.7186 9.7186 11.8637 11.8637 12.9585 12.9585 13.4402 13.4402 13.8561 13.8561 k =-0.1400 0.3205 0.3498 ( 3400 PWs) bands (ev): -17.8439 -17.8439 -4.7214 -4.7214 -3.7046 -3.7046 -2.9774 -2.9774 -2.1375 -2.1375 -2.0172 -2.0172 4.5186 4.5186 5.3788 5.3788 5.5812 5.5812 5.9819 5.9819 6.1719 6.1719 6.3260 6.3260 7.2964 7.2964 7.7691 7.7691 7.9655 7.9655 8.1103 8.1103 8.2018 8.2018 8.2808 8.2808 8.9529 8.9529 9.1384 9.1384 9.5659 9.5659 9.7324 9.7324 11.8328 11.8328 13.0020 13.0020 13.3261 13.3261 13.8130 13.8130 k =-0.1339 0.3066 0.3346 ( 3408 PWs) bands (ev): -17.8469 -17.8469 -4.7073 -4.7073 -3.7154 -3.7154 -2.9926 -2.9926 -2.1463 -2.1463 -1.9895 -1.9895 4.5033 4.5033 5.3953 5.3953 5.6251 5.6251 5.9824 5.9824 6.1643 6.1643 6.3293 6.3293 7.2769 7.2769 7.7748 7.7748 7.9695 7.9695 8.1284 8.1284 8.2192 8.2192 8.3018 8.3018 8.9708 8.9708 9.1210 9.1210 9.5917 9.5917 9.7465 9.7465 11.7930 11.7930 13.0432 13.0432 13.2114 13.2114 13.7741 13.7741 k =-0.1278 0.2927 0.3193 ( 3408 PWs) bands (ev): -17.8498 -17.8498 -4.6935 -4.6935 -3.7251 -3.7251 -3.0084 -3.0084 -2.1543 -2.1543 -1.9623 -1.9623 4.4830 4.4830 5.4180 5.4180 5.6693 5.6693 5.9830 5.9830 6.1567 6.1567 6.3323 6.3323 7.2582 7.2582 7.7803 7.7803 7.9733 7.9733 8.1468 8.1468 8.2363 8.2363 8.3227 8.3227 8.9881 8.9881 9.1078 9.1078 9.6177 9.6177 9.7609 9.7609 11.7450 11.7450 13.0700 13.0700 13.1095 13.1095 13.7388 13.7388 k =-0.1217 0.2787 0.3041 ( 3388 PWs) bands (ev): -17.8528 -17.8528 -4.6802 -4.6802 -3.7337 -3.7337 -3.0246 -3.0246 -2.1614 -2.1614 -1.9356 -1.9356 4.4586 4.4586 5.4460 5.4460 5.7136 5.7136 5.9839 5.9839 6.1493 6.1493 6.3351 6.3351 7.2401 7.2401 7.7856 7.7856 7.9771 7.9771 8.1655 8.1655 8.2532 8.2532 8.3434 8.3434 9.0014 9.0014 9.1025 9.1025 9.6438 9.6438 9.7755 9.7755 11.6897 11.6897 12.9751 12.9751 13.1283 13.1283 13.7068 13.7068 k =-0.1156 0.2648 0.2889 ( 3396 PWs) bands (ev): -17.8557 -17.8557 -4.6675 -4.6675 -3.7410 -3.7410 -3.0410 -3.0410 -2.1678 -2.1678 -1.9096 -1.9096 4.4311 4.4311 5.4781 5.4781 5.7579 5.7579 5.9849 5.9849 6.1421 6.1421 6.3375 6.3375 7.2226 7.2226 7.7903 7.7903 7.9806 7.9806 8.1843 8.1843 8.2697 8.2697 8.3635 8.3635 9.0055 9.0055 9.1099 9.1099 9.6698 9.6698 9.7901 9.7901 11.6282 11.6282 12.8618 12.8618 13.1652 13.1652 13.6778 13.6778 k =-0.1095 0.2509 0.2737 ( 3392 PWs) bands (ev): -17.8586 -17.8586 -4.6555 -4.6555 -3.7471 -3.7471 -3.0576 -3.0576 -2.1733 -2.1733 -1.8844 -1.8844 4.4013 4.4013 5.5135 5.5135 5.8017 5.8017 5.9862 5.9862 6.1352 6.1352 6.3396 6.3396 7.2059 7.2059 7.7945 7.7945 7.9839 7.9839 8.2033 8.2033 8.2859 8.2859 8.3833 8.3833 9.0002 9.0002 9.1305 9.1305 9.6955 9.6955 9.8044 9.8044 11.5617 11.5617 12.7488 12.7488 13.2018 13.2018 13.6516 13.6516 k =-0.1034 0.2369 0.2585 ( 3394 PWs) bands (ev): -17.8615 -17.8615 -4.6444 -4.6444 -3.7520 -3.7520 -3.0741 -3.0741 -2.1781 -2.1781 -1.8602 -1.8602 4.3700 4.3700 5.5510 5.5510 5.8447 5.8447 5.9877 5.9877 6.1289 6.1289 6.3414 6.3414 7.1899 7.1899 7.7982 7.7982 7.9870 7.9870 8.2223 8.2223 8.3017 8.3017 8.4025 8.4025 8.9897 8.9897 9.1603 9.1603 9.7209 9.7209 9.8184 9.8184 11.4916 11.4916 12.6368 12.6368 13.2376 13.2376 13.6278 13.6278 k =-0.0974 0.2230 0.2433 ( 3394 PWs) bands (ev): -17.8643 -17.8643 -4.6341 -4.6341 -3.7556 -3.7556 -3.0906 -3.0906 -2.1821 -2.1821 -1.8369 -1.8369 4.3379 4.3379 5.5899 5.5899 5.8861 5.8861 5.9895 5.9895 6.1236 6.1236 6.3430 6.3430 7.1747 7.1747 7.8014 7.8014 7.9899 7.9899 8.2414 8.2414 8.3171 8.3171 8.4211 8.4211 8.9769 8.9769 9.1962 9.1962 9.7457 9.7457 9.8318 9.8318 11.4188 11.4188 12.5262 12.5262 13.2727 13.2727 13.6061 13.6061 k =-0.0913 0.2090 0.2281 ( 3394 PWs) bands (ev): -17.8670 -17.8670 -4.6248 -4.6248 -3.7580 -3.7580 -3.1069 -3.1069 -2.1854 -2.1854 -1.8148 -1.8148 4.3055 4.3055 5.6295 5.6295 5.9248 5.9248 5.9922 5.9922 6.1197 6.1197 6.3444 6.3444 7.1604 7.1604 7.8041 7.8041 7.9924 7.9924 8.2606 8.2606 8.3323 8.3323 8.4392 8.4392 8.9636 8.9636 9.2366 9.2366 9.7699 9.7699 9.8445 9.8445 11.3448 11.3448 12.4170 12.4170 13.3071 13.3071 13.5863 13.5863 k =-0.0852 0.1951 0.2129 ( 3390 PWs) bands (ev): -17.8697 -17.8697 -4.6164 -4.6164 -3.7592 -3.7592 -3.1228 -3.1228 -2.1881 -2.1881 -1.7938 -1.7938 4.2734 4.2734 5.6692 5.6692 5.9578 5.9578 5.9973 5.9973 6.1184 6.1184 6.3456 6.3456 7.1468 7.1468 7.8063 7.8063 7.9947 7.9947 8.2795 8.2795 8.3471 8.3471 8.4567 8.4567 8.9503 8.9503 9.2808 9.2808 9.7933 9.7933 9.8564 9.8564 11.2703 11.2703 12.3096 12.3096 13.3407 13.3407 13.5682 13.5682 k =-0.0791 0.1812 0.1977 ( 3400 PWs) bands (ev): -17.8722 -17.8722 -4.6089 -4.6089 -3.7594 -3.7594 -3.1382 -3.1382 -2.1902 -2.1902 -1.7740 -1.7740 4.2419 4.2419 5.7083 5.7083 5.9782 5.9782 6.0096 6.0096 6.1216 6.1216 6.3466 6.3466 7.1339 7.1339 7.8080 7.8080 7.9964 7.9964 8.2981 8.2981 8.3615 8.3615 8.4735 8.4735 8.9373 8.9373 9.3285 9.3285 9.8158 9.8158 9.8672 9.8672 11.1963 11.1963 12.2042 12.2042 13.3736 13.3736 13.5516 13.5516 k =-0.0730 0.1672 0.1825 ( 3396 PWs) bands (ev): -17.8746 -17.8746 -4.6024 -4.6024 -3.7586 -3.7586 -3.1532 -3.1532 -2.1917 -2.1917 -1.7555 -1.7555 4.2116 4.2116 5.7464 5.7464 5.9857 5.9857 6.0264 6.0264 6.1320 6.1320 6.3474 6.3474 7.1220 7.1220 7.8094 7.8094 7.9978 7.9978 8.3162 8.3162 8.3757 8.3757 8.4898 8.4898 8.9249 8.9249 9.3792 9.3792 9.8371 9.8371 9.8769 9.8769 11.1235 11.1235 12.1011 12.1011 13.4054 13.4054 13.5364 13.5364 k =-0.0669 0.1533 0.1673 ( 3404 PWs) bands (ev): -17.8768 -17.8768 -4.5968 -4.5968 -3.7571 -3.7571 -3.1674 -3.1674 -2.1928 -2.1928 -1.7383 -1.7383 4.1826 4.1826 5.7829 5.7829 5.9889 5.9889 6.0375 6.0375 6.1508 6.1508 6.3482 6.3482 7.1109 7.1109 7.8102 7.8102 7.9987 7.9987 8.3333 8.3333 8.3897 8.3897 8.5053 8.5053 8.9130 8.9130 9.4326 9.4326 9.8572 9.8572 9.8854 9.8854 11.0526 11.0526 12.0009 12.0009 13.4357 13.4357 13.5226 13.5226 k =-0.0609 0.1394 0.1521 ( 3402 PWs) bands (ev): -17.8789 -17.8789 -4.5919 -4.5919 -3.7548 -3.7548 -3.1810 -3.1810 -2.1934 -2.1934 -1.7225 -1.7225 4.1552 4.1552 5.8175 5.8175 5.9910 5.9910 6.0422 6.0422 6.1754 6.1754 6.3489 6.3489 7.1008 7.1008 7.8110 7.8110 7.9991 7.9991 8.3494 8.3494 8.4037 8.4037 8.5203 8.5203 8.9020 8.9020 9.4886 9.4886 9.8758 9.8758 9.8927 9.8927 10.9838 10.9838 11.9041 11.9041 13.4633 13.4633 13.5107 13.5107 k =-0.0548 0.1254 0.1369 ( 3392 PWs) bands (ev): -17.8809 -17.8809 -4.5879 -4.5879 -3.7521 -3.7521 -3.1936 -3.1936 -2.1937 -2.1937 -1.7081 -1.7081 4.1298 4.1298 5.8498 5.8498 5.9925 5.9925 6.0431 6.0431 6.2023 6.2023 6.3496 6.3496 7.0916 7.0916 7.8115 7.8115 7.9993 7.9993 8.3639 8.3639 8.4177 8.4177 8.5346 8.5346 8.8919 8.8919 9.5466 9.5466 9.8921 9.8921 9.8997 9.8997 10.9176 10.9176 11.8114 11.8114 13.4837 13.4837 13.5038 13.5038 k =-0.0487 0.1115 0.1217 ( 3388 PWs) bands (ev): -17.8826 -17.8826 -4.5845 -4.5845 -3.7490 -3.7490 -3.2053 -3.2053 -2.1937 -2.1937 -1.6952 -1.6952 4.1065 4.1065 5.8796 5.8796 5.9938 5.9938 6.0421 6.0421 6.2290 6.2290 6.3503 6.3503 7.0833 7.0833 7.8118 7.8118 7.9991 7.9991 8.3766 8.3766 8.4314 8.4314 8.5481 8.5481 8.8825 8.8825 9.6062 9.6062 9.9012 9.9012 9.9111 9.9111 10.8540 10.8540 11.7236 11.7236 13.4832 13.4832 13.5137 13.5137 k =-0.0426 0.0976 0.1064 ( 3384 PWs) bands (ev): -17.8842 -17.8842 -4.5818 -4.5818 -3.7457 -3.7457 -3.2159 -3.2159 -2.1936 -2.1936 -1.6836 -1.6836 4.0855 4.0855 5.9065 5.9065 5.9949 5.9949 6.0402 6.0402 6.2540 6.2540 6.3512 6.3512 7.0759 7.0759 7.8120 7.8120 7.9986 7.9986 8.3876 8.3876 8.4447 8.4447 8.5607 8.5607 8.8740 8.8740 9.6667 9.6667 9.9053 9.9053 9.9247 9.9247 10.7934 10.7934 11.6418 11.6418 13.4753 13.4753 13.5238 13.5238 k =-0.0365 0.0836 0.0912 ( 3380 PWs) bands (ev): -17.8856 -17.8856 -4.5796 -4.5796 -3.7425 -3.7425 -3.2254 -3.2254 -2.1933 -2.1933 -1.6736 -1.6736 4.0670 4.0670 5.9303 5.9303 5.9958 5.9958 6.0381 6.0381 6.2763 6.2763 6.3523 6.3523 7.0695 7.0695 7.8121 7.8121 7.9979 7.9979 8.3968 8.3968 8.4572 8.4572 8.5724 8.5724 8.8665 8.8665 9.7272 9.7272 9.9078 9.9078 9.9371 9.9371 10.7358 10.7358 11.5671 11.5671 13.4676 13.4676 13.5233 13.5233 k =-0.0304 0.0697 0.0760 ( 3376 PWs) bands (ev): -17.8868 -17.8868 -4.5778 -4.5778 -3.7395 -3.7395 -3.2336 -3.2336 -2.1929 -2.1929 -1.6651 -1.6651 4.0510 4.0510 5.9508 5.9508 5.9966 5.9966 6.0361 6.0361 6.2952 6.2952 6.3538 6.3538 7.0641 7.0641 7.8122 7.8122 7.9972 7.9972 8.4043 8.4043 8.4684 8.4684 8.5829 8.5829 8.8600 8.8600 9.7864 9.7864 9.9094 9.9094 9.9478 9.9478 10.6815 10.6815 11.5008 11.5008 13.4608 13.4608 13.5116 13.5116 k =-0.0243 0.0557 0.0608 ( 3374 PWs) bands (ev): -17.8878 -17.8878 -4.5765 -4.5765 -3.7367 -3.7367 -3.2405 -3.2405 -2.1926 -2.1926 -1.6581 -1.6581 4.0378 4.0378 5.9677 5.9677 5.9973 5.9973 6.0342 6.0342 6.3101 6.3101 6.3561 6.3561 7.0596 7.0596 7.8122 7.8122 7.9964 7.9964 8.4104 8.4104 8.4781 8.4781 8.5921 8.5921 8.8546 8.8546 9.8425 9.8425 9.9103 9.9103 9.9566 9.9566 10.6314 10.6314 11.4442 11.4442 13.4552 13.4552 13.4932 13.4932 k =-0.0183 0.0418 0.0456 ( 3370 PWs) bands (ev): -17.8886 -17.8886 -4.5755 -4.5755 -3.7344 -3.7344 -3.2459 -3.2459 -2.1922 -2.1922 -1.6526 -1.6526 4.0275 4.0275 5.9810 5.9810 5.9978 5.9978 6.0327 6.0327 6.3207 6.3207 6.3592 6.3592 7.0562 7.0562 7.8122 7.8122 7.9957 7.9957 8.4150 8.4150 8.4858 8.4858 8.5995 8.5995 8.8503 8.8503 9.8930 9.8930 9.9109 9.9109 9.9636 9.9636 10.5868 10.5868 11.3986 11.3986 13.4507 13.4507 13.4740 13.4740 k =-0.0122 0.0279 0.0304 ( 3365 PWs) bands (ev): -17.8891 -17.8891 -4.5749 -4.5749 -3.7327 -3.7327 -3.2499 -3.2499 -2.1919 -2.1919 -1.6487 -1.6487 4.0200 4.0200 5.9904 5.9904 5.9983 5.9983 6.0316 6.0316 6.3272 6.3272 6.3626 6.3626 7.0538 7.0538 7.8122 7.8122 7.9951 7.9951 8.4183 8.4183 8.4915 8.4915 8.6051 8.6051 8.8471 8.8471 9.9108 9.9108 9.9348 9.9348 9.9686 9.9686 10.5504 10.5504 11.3651 11.3651 13.4476 13.4476 13.4581 13.4581 k =-0.0061 0.0139 0.0152 ( 3369 PWs) bands (ev): -17.8894 -17.8894 -4.5745 -4.5745 -3.7317 -3.7317 -3.2523 -3.2523 -2.1918 -2.1918 -1.6464 -1.6464 4.0155 4.0155 5.9957 5.9957 5.9988 5.9988 6.0310 6.0310 6.3305 6.3305 6.3653 6.3653 7.0523 7.0523 7.8122 7.8122 7.9947 7.9947 8.4203 8.4203 8.4950 8.4950 8.6086 8.6086 8.8452 8.8452 9.9108 9.9108 9.9626 9.9626 9.9716 9.9716 10.5259 10.5259 11.3446 11.3446 13.4456 13.4456 13.4478 13.4478 k = 0.0000 0.0000 0.0000 ( 3385 PWs) bands (ev): -17.8896 -17.8896 -4.5744 -4.5744 -3.7313 -3.7313 -3.2531 -3.2531 -2.1917 -2.1917 -1.6456 -1.6456 4.0140 4.0140 5.9969 5.9969 5.9995 5.9995 6.0307 6.0307 6.3315 6.3315 6.3663 6.3663 7.0518 7.0518 7.8122 7.8122 7.9944 7.9944 8.4209 8.4209 8.4962 8.4962 8.6097 8.6097 8.8443 8.8443 9.9108 9.9108 9.9720 9.9720 9.9731 9.9731 10.5172 10.5172 11.3377 11.3377 13.4441 13.4441 13.4451 13.4451 k = 0.0000 0.0000 0.0000 ( 3385 PWs) bands (ev): -17.8896 -17.8896 -4.5744 -4.5744 -3.7313 -3.7313 -3.2531 -3.2531 -2.1917 -2.1917 -1.6456 -1.6456 4.0140 4.0140 5.9969 5.9969 5.9995 5.9995 6.0307 6.0307 6.3315 6.3315 6.3663 6.3663 7.0518 7.0518 7.8122 7.8122 7.9944 7.9944 8.4209 8.4209 8.4962 8.4962 8.6097 8.6097 8.8443 8.8443 9.9108 9.9108 9.9720 9.9720 9.9731 9.9731 10.5172 10.5172 11.3377 11.3377 13.4441 13.4441 13.4451 13.4451 k = 0.0200 0.0087-0.0000 ( 3369 PWs) bands (ev): -17.8896 -17.8896 -4.5752 -4.5752 -3.7306 -3.7306 -3.2524 -3.2524 -2.1917 -2.1917 -1.6463 -1.6463 4.0163 4.0163 5.9963 5.9963 5.9988 5.9988 6.0289 6.0289 6.3323 6.3323 6.3672 6.3672 7.0518 7.0518 7.8126 7.8126 7.9941 7.9941 8.4210 8.4210 8.4965 8.4965 8.6101 8.6101 8.8443 8.8443 9.9029 9.9029 9.9717 9.9717 9.9729 9.9729 10.5180 10.5180 11.3451 11.3451 13.4205 13.4205 13.4461 13.4461 k = 0.0400 0.0175-0.0000 ( 3369 PWs) bands (ev): -17.8896 -17.8896 -4.5776 -4.5776 -3.7284 -3.7284 -3.2505 -3.2505 -2.1917 -2.1917 -1.6483 -1.6483 4.0230 4.0230 5.9941 5.9941 5.9962 5.9962 6.0232 6.0232 6.3345 6.3345 6.3701 6.3701 7.0519 7.0519 7.8138 7.8138 7.9929 7.9929 8.4213 8.4213 8.4976 8.4976 8.6111 8.6111 8.8442 8.8442 9.8795 9.8795 9.9706 9.9706 9.9722 9.9722 10.5204 10.5204 11.3668 11.3668 13.3628 13.3628 13.4518 13.4518 k = 0.0600 0.0262-0.0000 ( 3373 PWs) bands (ev): -17.8895 -17.8895 -4.5816 -4.5816 -3.7249 -3.7249 -3.2474 -3.2474 -2.1917 -2.1917 -1.6517 -1.6517 4.0341 4.0341 5.9906 5.9906 5.9920 5.9920 6.0139 6.0139 6.3382 6.3382 6.3746 6.3746 7.0518 7.0518 7.8158 7.8158 7.9909 7.9909 8.4215 8.4215 8.4993 8.4993 8.6126 8.6126 8.8443 8.8443 9.8421 9.8421 9.9688 9.9688 9.9710 9.9710 10.5244 10.5244 11.4013 11.4013 13.2927 13.2927 13.4615 13.4615 k = 0.0800 0.0349-0.0000 ( 3373 PWs) bands (ev): -17.8895 -17.8895 -4.5870 -4.5870 -3.7202 -3.7202 -3.2430 -3.2430 -2.1917 -2.1917 -1.6564 -1.6564 4.0496 4.0496 5.9858 5.9858 5.9865 5.9865 6.0010 6.0010 6.3431 6.3431 6.3807 6.3807 7.0519 7.0519 7.8188 7.8188 7.9881 7.9881 8.4220 8.4220 8.5018 8.5018 8.6148 8.6148 8.8440 8.8440 9.7926 9.7926 9.9663 9.9663 9.9693 9.9693 10.5298 10.5298 11.4467 11.4467 13.2199 13.2199 13.4750 13.4750 k = 0.1000 0.0437-0.0000 ( 3378 PWs) bands (ev): -17.8895 -17.8895 -4.5937 -4.5937 -3.7144 -3.7144 -3.2374 -3.2374 -2.1917 -2.1917 -1.6623 -1.6623 4.0695 4.0695 5.9792 5.9792 5.9797 5.9797 5.9852 5.9852 6.3491 6.3491 6.3882 6.3882 7.0520 7.0520 7.8225 7.8225 7.9845 7.9845 8.4226 8.4226 8.5049 8.5049 8.6177 8.6177 8.8436 8.8436 9.7332 9.7332 9.9632 9.9632 9.9672 9.9672 10.5367 10.5367 11.5006 11.5006 13.1486 13.1486 13.4924 13.4924 k = 0.1200 0.0524-0.0000 ( 3386 PWs) bands (ev): -17.8895 -17.8895 -4.6016 -4.6016 -3.7078 -3.7078 -3.2305 -3.2305 -2.1917 -2.1917 -1.6694 -1.6694 4.0935 4.0935 5.9632 5.9632 5.9719 5.9719 5.9745 5.9745 6.3560 6.3560 6.3968 6.3968 7.0521 7.0521 7.8272 7.8272 7.9801 7.9801 8.4233 8.4233 8.5087 8.5087 8.6212 8.6212 8.8432 8.8432 9.6658 9.6658 9.9594 9.9594 9.9646 9.9646 10.5448 10.5448 11.5608 11.5608 13.0812 13.0812 13.5137 13.5137 k = 0.1400 0.0611-0.0000 ( 3386 PWs) bands (ev): -17.8895 -17.8895 -4.6103 -4.6103 -3.7006 -3.7006 -3.2225 -3.2225 -2.1917 -2.1917 -1.6776 -1.6776 4.1216 4.1216 5.9401 5.9401 5.9635 5.9635 5.9670 5.9670 6.3637 6.3637 6.4063 6.4063 7.0522 7.0522 7.8329 7.8329 7.9753 7.9753 8.4241 8.4241 8.5130 8.5130 8.6252 8.6252 8.8426 8.8426 9.5923 9.5923 9.9549 9.9549 9.9617 9.9617 10.5540 10.5540 11.6252 11.6252 13.0192 13.0192 13.5390 13.5390 k = 0.1600 0.0699-0.0000 ( 3398 PWs) bands (ev): -17.8895 -17.8895 -4.6198 -4.6198 -3.6929 -3.6929 -3.2133 -3.2133 -2.1917 -2.1917 -1.6867 -1.6867 4.1536 4.1536 5.9134 5.9134 5.9545 5.9545 5.9592 5.9592 6.3718 6.3718 6.4163 6.4163 7.0523 7.0523 7.8395 7.8395 7.9700 7.9700 8.4249 8.4249 8.5177 8.5177 8.6298 8.6298 8.8418 8.8418 9.5142 9.5142 9.9500 9.9500 9.9583 9.9583 10.5642 10.5642 11.6917 11.6917 12.9637 12.9637 13.5682 13.5682 k = 0.1800 0.0786-0.0000 ( 3398 PWs) bands (ev): -17.8895 -17.8895 -4.6298 -4.6298 -3.6851 -3.6851 -3.2031 -3.2031 -2.1917 -2.1917 -1.6967 -1.6967 4.1894 4.1894 5.8836 5.8836 5.9451 5.9451 5.9512 5.9512 6.3802 6.3802 6.4268 6.4268 7.0524 7.0524 7.8473 7.8473 7.9644 7.9644 8.4258 8.4258 8.5229 8.5229 8.6349 8.6349 8.8409 8.8409 9.4331 9.4331 9.9445 9.9445 9.9546 9.9546 10.5752 10.5752 11.7584 11.7584 12.9161 12.9161 13.6015 13.6015 k = 0.2000 0.0873-0.0000 ( 3398 PWs) bands (ev): -17.8894 -17.8894 -4.6402 -4.6402 -3.6772 -3.6772 -3.1919 -3.1919 -2.1917 -2.1917 -1.7075 -1.7075 4.2288 4.2288 5.8508 5.8508 5.9357 5.9357 5.9430 5.9430 6.3888 6.3888 6.4374 6.4374 7.0525 7.0525 7.8563 7.8563 7.9585 7.9585 8.4268 8.4268 8.5285 8.5285 8.6404 8.6404 8.8396 8.8396 9.3500 9.3500 9.9386 9.9386 9.9506 9.9506 10.5867 10.5867 11.8232 11.8232 12.8775 12.8775 13.6387 13.6387 k = 0.2200 0.0961-0.0000 ( 3414 PWs) bands (ev): -17.8894 -17.8894 -4.6507 -4.6507 -3.6695 -3.6695 -3.1799 -3.1799 -2.1917 -2.1917 -1.7188 -1.7188 4.2715 4.2715 5.8152 5.8152 5.9263 5.9263 5.9349 5.9349 6.3974 6.3974 6.4481 6.4481 7.0525 7.0525 7.8665 7.8665 7.9523 7.9523 8.4276 8.4276 8.5341 8.5341 8.6462 8.6462 8.8378 8.8378 9.2663 9.2663 9.9323 9.9323 9.9464 9.9464 10.5986 10.5986 11.8840 11.8840 12.8492 12.8492 13.6800 13.6800 k = 0.2400 0.1048-0.0000 ( 3414 PWs) bands (ev): -17.8894 -17.8894 -4.6612 -4.6612 -3.6620 -3.6620 -3.1672 -3.1672 -2.1917 -2.1917 -1.7306 -1.7306 4.3175 4.3175 5.7768 5.7768 5.9170 5.9170 5.9268 5.9268 6.4059 6.4059 6.4586 6.4586 7.0526 7.0526 7.8781 7.8781 7.9461 7.9461 8.4286 8.4286 8.5400 8.5400 8.6524 8.6524 8.8352 8.8352 9.1830 9.1830 9.9258 9.9258 9.9419 9.9419 10.6107 10.6107 11.9386 11.9386 12.8326 12.8326 13.7253 13.7253 k = 0.2600 0.1135-0.0000 ( 3422 PWs) bands (ev): -17.8894 -17.8894 -4.6715 -4.6715 -3.6550 -3.6550 -3.1541 -3.1541 -2.1917 -2.1917 -1.7426 -1.7426 4.3663 4.3663 5.7358 5.7358 5.9080 5.9080 5.9190 5.9190 6.4142 6.4142 6.4689 6.4689 7.0528 7.0528 7.8912 7.8912 7.9399 7.9399 8.4295 8.4295 8.5458 8.5458 8.6588 8.6588 8.8310 8.8310 9.1018 9.1018 9.9190 9.9190 9.9373 9.9373 10.6228 10.6228 11.9853 11.9853 12.8286 12.8286 13.7746 13.7746 k = 0.2800 0.1223-0.0000 ( 3422 PWs) bands (ev): -17.8893 -17.8893 -4.6815 -4.6815 -3.6484 -3.6484 -3.1407 -3.1407 -2.1917 -2.1917 -1.7547 -1.7547 4.4179 4.4179 5.6924 5.6924 5.8994 5.8994 5.9115 5.9115 6.4221 6.4221 6.4787 6.4787 7.0530 7.0530 7.9060 7.9060 7.9338 7.9338 8.4303 8.4303 8.5513 8.5513 8.6653 8.6653 8.8238 8.8238 9.0250 9.0250 9.9121 9.9121 9.9327 9.9327 10.6347 10.6347 12.0226 12.0226 12.8378 12.8378 13.8278 13.8278 k = 0.3000 0.1310-0.0000 ( 3422 PWs) bands (ev): -17.8893 -17.8893 -4.6910 -4.6910 -3.6424 -3.6424 -3.1272 -3.1272 -2.1918 -2.1918 -1.7667 -1.7667 4.4719 4.4719 5.6466 5.6466 5.8914 5.8914 5.9044 5.9044 6.4296 6.4296 6.4880 6.4880 7.0531 7.0531 7.9226 7.9226 7.9279 7.9279 8.4312 8.4312 8.5561 8.5561 8.6719 8.6719 8.8094 8.8094 8.9577 8.9577 9.9053 9.9053 9.9280 9.9280 10.6463 10.6463 12.0503 12.0503 12.8595 12.8595 13.8848 13.8848 k = 0.3200 0.1397-0.0000 ( 3422 PWs) bands (ev): -17.8893 -17.8893 -4.7000 -4.7000 -3.6369 -3.6369 -3.1140 -3.1140 -2.1918 -2.1918 -1.7784 -1.7784 4.5280 4.5280 5.5987 5.5987 5.8839 5.8839 5.8978 5.8978 6.4366 6.4366 6.4967 6.4967 7.0533 7.0533 7.9224 7.9224 7.9409 7.9409 8.4319 8.4319 8.5596 8.5596 8.6783 8.6783 8.7796 8.7796 8.9089 8.9089 9.8986 9.8986 9.9235 9.9235 10.6573 10.6573 12.0690 12.0690 12.8921 12.8921 13.9455 13.9455 k = 0.3400 0.1485-0.0000 ( 3434 PWs) bands (ev): -17.8893 -17.8893 -4.7083 -4.7083 -3.6320 -3.6320 -3.1012 -3.1012 -2.1918 -2.1918 -1.7896 -1.7896 4.5860 4.5860 5.5485 5.5485 5.8769 5.8769 5.8917 5.8917 6.4430 6.4430 6.5046 6.5046 7.0534 7.0534 7.9171 7.9171 7.9615 7.9615 8.4326 8.4326 8.5602 8.5602 8.6844 8.6844 8.7322 8.7322 8.8829 8.8829 9.8922 9.8922 9.9191 9.9191 10.6675 10.6675 12.0802 12.0802 12.9329 12.9329 14.0096 14.0096 k = 0.3600 0.1572-0.0000 ( 3434 PWs) bands (ev): -17.8892 -17.8892 -4.7158 -4.7158 -3.6277 -3.6277 -3.0891 -3.0891 -2.1918 -2.1918 -1.8001 -1.8001 4.6455 4.6455 5.4965 5.4965 5.8707 5.8707 5.8862 5.8862 6.4488 6.4488 6.5118 6.5118 7.0535 7.0535 7.9123 7.9123 7.9844 7.9844 8.4333 8.4333 8.5541 8.5541 8.6801 8.6801 8.6903 8.6903 8.8709 8.8709 9.8861 9.8861 9.9149 9.9149 10.6769 10.6769 12.0858 12.0858 12.9788 12.9788 14.0767 14.0767 k = 0.3800 0.1659-0.0000 ( 3434 PWs) bands (ev): -17.8892 -17.8892 -4.7225 -4.7225 -3.6240 -3.6240 -3.0780 -3.0780 -2.1918 -2.1918 -1.8097 -1.8097 4.7064 4.7064 5.4426 5.4426 5.8653 5.8653 5.8814 5.8814 6.4539 6.4539 6.5182 6.5182 7.0536 7.0536 7.9080 7.9080 8.0099 8.0099 8.4338 8.4338 8.5323 8.5323 8.6407 8.6407 8.6957 8.6957 8.8648 8.8648 9.8805 9.8805 9.9112 9.9112 10.6854 10.6854 12.0876 12.0876 13.0268 13.0268 14.1463 14.1463 k = 0.4000 0.1747-0.0000 ( 3434 PWs) bands (ev): -17.8892 -17.8892 -4.7282 -4.7282 -3.6210 -3.6210 -3.0681 -3.0681 -2.1918 -2.1918 -1.8182 -1.8182 4.7681 4.7681 5.3871 5.3871 5.8606 5.8606 5.8772 5.8772 6.4583 6.4583 6.5236 6.5236 7.0538 7.0538 7.9042 7.9042 8.0380 8.0380 8.4343 8.4343 8.4897 8.4897 8.6227 8.6227 8.7005 8.7005 8.8613 8.8613 9.8756 9.8756 9.9078 9.9078 10.6927 10.6927 12.0871 12.0871 13.0736 13.0736 14.2174 14.2174 k = 0.4200 0.1834-0.0000 ( 3434 PWs) bands (ev): -17.8892 -17.8892 -4.7330 -4.7330 -3.6184 -3.6184 -3.0597 -3.0597 -2.1918 -2.1918 -1.8255 -1.8255 4.8304 4.8304 5.3301 5.3301 5.8567 5.8567 5.8738 5.8738 6.4620 6.4620 6.5282 6.5282 7.0538 7.0538 7.9011 7.9011 8.0690 8.0690 8.4347 8.4347 8.4365 8.4365 8.6170 8.6170 8.7046 8.7046 8.8592 8.8592 9.8714 9.8714 9.9050 9.9050 10.6988 10.6988 12.0853 12.0853 13.1167 13.1167 14.2884 14.2884 k = 0.4400 0.1921-0.0000 ( 3434 PWs) bands (ev): -17.8892 -17.8892 -4.7368 -4.7368 -3.6165 -3.6165 -3.0529 -3.0529 -2.1918 -2.1918 -1.8313 -1.8313 4.8929 4.8929 5.2719 5.2719 5.8536 5.8536 5.8711 5.8711 6.4649 6.4649 6.5317 6.5317 7.0539 7.0539 7.8986 7.8986 8.1029 8.1029 8.3816 8.3816 8.4350 8.4350 8.6157 8.6157 8.7078 8.7078 8.8578 8.8578 9.8680 9.8680 9.9027 9.9027 10.7037 10.7037 12.0832 12.0832 13.1534 13.1534 14.3566 14.3566 k = 0.4600 0.2009-0.0000 ( 3450 PWs) bands (ev): -17.8892 -17.8892 -4.7395 -4.7395 -3.6151 -3.6151 -3.0479 -3.0479 -2.1918 -2.1918 -1.8355 -1.8355 4.9548 4.9548 5.2131 5.2131 5.8513 5.8513 5.8690 5.8690 6.4669 6.4669 6.5343 6.5343 7.0540 7.0540 7.8967 7.8967 8.1397 8.1397 8.3286 8.3286 8.4352 8.4352 8.6158 8.6158 8.7103 8.7103 8.8569 8.8569 9.8654 9.8654 9.9009 9.9009 10.7072 10.7072 12.0813 12.0813 13.1814 13.1814 14.4170 14.4170 k = 0.4800 0.2096-0.0000 ( 3442 PWs) bands (ev): -17.8892 -17.8892 -4.7411 -4.7411 -3.6143 -3.6143 -3.0449 -3.0449 -2.1918 -2.1918 -1.8381 -1.8381 5.0140 5.0140 5.1559 5.1559 5.8500 5.8500 5.8679 5.8679 6.4681 6.4681 6.5358 6.5358 7.0540 7.0540 7.8956 7.8956 8.1786 8.1786 8.2796 8.2796 8.4353 8.4353 8.6161 8.6161 8.7117 8.7117 8.8565 8.8565 9.8640 9.8640 9.8999 9.8999 10.7093 10.7093 12.0801 12.0801 13.1991 13.1991 14.4656 14.4656 k = 0.5000 0.2183-0.0000 ( 3426 PWs) bands (ev): -17.8892 -17.8892 -4.7417 -4.7417 -3.6140 -3.6140 -3.0439 -3.0439 -2.1918 -2.1918 -1.8390 -1.8390 5.0517 5.0517 5.1188 5.1188 5.8496 5.8496 5.8675 5.8675 6.4686 6.4686 6.5364 6.5364 7.0542 7.0542 7.8953 7.8953 8.2070 8.2070 8.2479 8.2479 8.4354 8.4354 8.6164 8.6164 8.7124 8.7124 8.8564 8.8564 9.8634 9.8634 9.8995 9.8995 10.7100 10.7100 12.0797 12.0797 13.2051 13.2051 14.4629 14.4629 k = 0.5000 0.2183-0.0000 ( 3426 PWs) bands (ev): -17.8892 -17.8892 -4.7417 -4.7417 -3.6140 -3.6140 -3.0439 -3.0439 -2.1918 -2.1918 -1.8390 -1.8390 5.0517 5.0517 5.1188 5.1188 5.8496 5.8496 5.8675 5.8675 6.4686 6.4686 6.5364 6.5364 7.0542 7.0542 7.8953 7.8953 8.2070 8.2070 8.2479 8.2479 8.4354 8.4354 8.6164 8.6164 8.7124 8.7124 8.8564 8.8564 9.8634 9.8634 9.8995 9.8995 10.7100 10.7100 12.0797 12.0797 13.2051 13.2051 14.4629 14.4629 k = 0.4939 0.2323 0.0153 ( 3436 PWs) bands (ev): -17.8891 -17.8891 -4.7413 -4.7413 -3.6149 -3.6149 -3.0440 -3.0440 -2.1910 -2.1910 -1.8393 -1.8393 5.0508 5.0508 5.1192 5.1192 5.8501 5.8501 5.8680 5.8680 6.4670 6.4670 6.5347 6.5347 7.0544 7.0544 7.8956 7.8956 8.2057 8.2057 8.2484 8.2484 8.4348 8.4348 8.6159 8.6159 8.7099 8.7099 8.8585 8.8585 9.8628 9.8628 9.8989 9.8989 10.7136 10.7136 12.0830 12.0830 13.2025 13.2025 14.4519 14.4519 k = 0.4878 0.2463 0.0306 ( 3442 PWs) bands (ev): -17.8887 -17.8887 -4.7403 -4.7403 -3.6174 -3.6174 -3.0446 -3.0446 -2.1888 -2.1888 -1.8403 -1.8403 5.0483 5.0483 5.1202 5.1202 5.8515 5.8515 5.8694 5.8694 6.4620 6.4620 6.5298 6.5298 7.0557 7.0557 7.8967 7.8967 8.2019 8.2019 8.2494 8.2494 8.4331 8.4331 8.6148 8.6148 8.7033 8.7033 8.8645 8.8645 9.8606 9.8606 9.8971 9.8971 10.7242 10.7242 12.0931 12.0931 13.1946 13.1946 14.4183 14.4183 k = 0.4817 0.2603 0.0458 ( 3444 PWs) bands (ev): -17.8882 -17.8882 -4.7387 -4.7387 -3.6215 -3.6215 -3.0454 -3.0454 -2.1851 -2.1851 -1.8418 -1.8418 5.0441 5.0441 5.1219 5.1219 5.8539 5.8539 5.8719 5.8719 6.4532 6.4532 6.5225 6.5225 7.0578 7.0578 7.8982 7.8982 8.1963 8.1963 8.2504 8.2504 8.4303 8.4303 8.6132 8.6132 8.6936 8.6936 8.8735 8.8735 9.8565 9.8565 9.8948 9.8948 10.7417 10.7417 12.1096 12.1096 13.1813 13.1813 14.3604 14.3604 k = 0.4755 0.2743 0.0611 ( 3438 PWs) bands (ev): -17.8874 -17.8874 -4.7364 -4.7364 -3.6272 -3.6272 -3.0466 -3.0466 -2.1800 -2.1800 -1.8440 -1.8440 5.0384 5.0384 5.1241 5.1241 5.8571 5.8571 5.8756 5.8756 6.4399 6.4399 6.5136 6.5136 7.0608 7.0608 7.9002 7.9002 8.1894 8.1894 8.2509 8.2509 8.4263 8.4263 8.6111 8.6111 8.6821 8.6821 8.8845 8.8845 9.8500 9.8500 9.8925 9.8925 10.7657 10.7657 12.1324 12.1324 13.1624 13.1624 14.2798 14.2798 k = 0.4694 0.2883 0.0764 ( 3428 PWs) bands (ev): -17.8864 -17.8864 -4.7335 -4.7335 -3.6344 -3.6344 -3.0479 -3.0479 -2.1737 -2.1737 -1.8469 -1.8469 5.0313 5.0313 5.1267 5.1267 5.8609 5.8609 5.8804 5.8804 6.4216 6.4216 6.5040 6.5040 7.0647 7.0647 7.9020 7.9020 8.1817 8.1817 8.2503 8.2503 8.4215 8.4215 8.6082 8.6082 8.6706 8.6706 8.8970 8.8970 9.8408 9.8408 9.8908 9.8908 10.7957 10.7957 12.1608 12.1608 13.1379 13.1379 14.1818 14.1818 k = 0.4633 0.3023 0.0917 ( 3426 PWs) bands (ev): -17.8852 -17.8852 -4.7302 -4.7302 -3.6428 -3.6428 -3.0494 -3.0494 -2.1661 -2.1661 -1.8503 -1.8503 5.0228 5.0228 5.1295 5.1295 5.8652 5.8652 5.8864 5.8864 6.3983 6.3983 6.4942 6.4942 7.0695 7.0695 7.9033 7.9033 8.1733 8.1733 8.2484 8.2484 8.4157 8.4157 8.6038 8.6038 8.6608 8.6608 8.9102 8.9102 9.8291 9.8291 9.8896 9.8896 10.8312 10.8312 12.1944 12.1944 13.1077 13.1077 14.0728 14.0728 k = 0.4572 0.3163 0.1069 ( 3426 PWs) bands (ev): -17.8838 -17.8838 -4.7265 -4.7265 -3.6525 -3.6525 -3.0510 -3.0510 -2.1575 -2.1575 -1.8544 -1.8544 5.0131 5.0131 5.1320 5.1320 5.8700 5.8700 5.8934 5.8934 6.3704 6.3704 6.4843 6.4843 7.0750 7.0750 7.9038 7.9038 8.1647 8.1647 8.2451 8.2451 8.4090 8.4090 8.5964 8.5964 8.6552 8.6552 8.9240 8.9240 9.8152 9.8152 9.8890 9.8890 10.8716 10.8716 12.2326 12.2326 13.0723 13.0723 13.9578 13.9578 k = 0.4511 0.3303 0.1222 ( 3430 PWs) bands (ev): -17.8822 -17.8822 -4.7224 -4.7224 -3.6630 -3.6630 -3.0527 -3.0527 -2.1479 -2.1479 -1.8591 -1.8591 5.0023 5.0023 5.1341 5.1341 5.8752 5.8752 5.9015 5.9015 6.3388 6.3388 6.4741 6.4741 7.0815 7.0815 7.9030 7.9030 8.1561 8.1561 8.2402 8.2402 8.4015 8.4015 8.5853 8.5853 8.6552 8.6552 8.9380 8.9380 9.7996 9.7996 9.8888 9.8888 10.9162 10.9162 12.2748 12.2748 13.0319 13.0319 13.8406 13.8406 k = 0.4450 0.3443 0.1375 ( 3432 PWs) bands (ev): -17.8805 -17.8805 -4.7182 -4.7182 -3.6743 -3.6743 -3.0543 -3.0543 -2.1376 -2.1376 -1.8643 -1.8643 4.9907 4.9907 5.1354 5.1354 5.8809 5.8809 5.9106 5.9106 6.3042 6.3042 6.4635 6.4635 7.0888 7.0888 7.9004 7.9004 8.1479 8.1479 8.2340 8.2340 8.3932 8.3932 8.5711 8.5711 8.6604 8.6604 8.9520 8.9520 9.7827 9.7827 9.8889 9.8889 10.9641 10.9641 12.3204 12.3204 12.9873 12.9873 13.7242 13.7242 k = 0.4389 0.3583 0.1528 ( 3436 PWs) bands (ev): -17.8785 -17.8785 -4.7139 -4.7139 -3.6861 -3.6861 -3.0558 -3.0558 -2.1266 -2.1266 -1.8701 -1.8701 4.9784 4.9784 5.1354 5.1354 5.8870 5.8870 5.9204 5.9204 6.2678 6.2678 6.4525 6.4525 7.0971 7.0971 7.8958 7.8958 8.1405 8.1405 8.2266 8.2266 8.3841 8.3841 8.5550 8.5550 8.6699 8.6699 8.9661 8.9661 9.7650 9.7650 9.8891 9.8891 11.0145 11.0145 12.3686 12.3686 12.9392 12.9392 13.6107 13.6107 k = 0.4328 0.3723 0.1680 ( 3432 PWs) bands (ev): -17.8764 -17.8764 -4.7098 -4.7098 -3.6980 -3.6980 -3.0573 -3.0573 -2.1152 -2.1152 -1.8764 -1.8764 4.9654 4.9654 5.1337 5.1337 5.8935 5.8935 5.9310 5.9310 6.2304 6.2304 6.4409 6.4409 7.1062 7.1062 7.8890 7.8890 8.1338 8.1338 8.2183 8.2183 8.3742 8.3742 8.5377 8.5377 8.6830 8.6830 8.9800 8.9800 9.7469 9.7469 9.8893 9.8893 11.0664 11.0664 12.4188 12.4188 12.8884 12.8884 13.5022 13.5022 k = 0.4266 0.3863 0.1833 ( 3432 PWs) bands (ev): -17.8741 -17.8741 -4.7059 -4.7059 -3.7098 -3.7098 -3.0586 -3.0586 -2.1035 -2.1035 -1.8832 -1.8832 4.9521 4.9521 5.1296 5.1296 5.9004 5.9004 5.9421 5.9421 6.1932 6.1932 6.4288 6.4288 7.1162 7.1162 7.8802 7.8802 8.1280 8.1280 8.2093 8.2093 8.3636 8.3636 8.5196 8.5196 8.6992 8.6992 8.9936 8.9936 9.7286 9.7286 9.8895 9.8895 11.1185 11.1185 12.4701 12.4701 12.8356 12.8356 13.4009 13.4009 k = 0.4205 0.4003 0.1986 ( 3432 PWs) bands (ev): -17.8717 -17.8717 -4.7024 -4.7024 -3.7212 -3.7212 -3.0597 -3.0597 -2.0918 -2.0918 -1.8903 -1.8903 4.9386 4.9386 5.1227 5.1227 5.9078 5.9078 5.9535 5.9535 6.1571 6.1571 6.4161 6.4161 7.1270 7.1270 7.8694 7.8694 8.1230 8.1230 8.1997 8.1997 8.3521 8.3521 8.5009 8.5009 8.7180 8.7180 9.0070 9.0070 9.7104 9.7104 9.8895 9.8895 11.1694 11.1694 12.5213 12.5213 12.7820 12.7820 13.3092 13.3092 k = 0.4144 0.4143 0.2139 ( 3424 PWs) bands (ev): -17.8692 -17.8692 -4.6995 -4.6995 -3.7317 -3.7317 -3.0608 -3.0608 -2.0802 -2.0802 -1.8977 -1.8977 4.9251 4.9251 5.1123 5.1123 5.9156 5.9156 5.9651 5.9651 6.1233 6.1233 6.4029 6.4029 7.1386 7.1386 7.8572 7.8572 8.1183 8.1183 8.1899 8.1899 8.3398 8.3398 8.4817 8.4817 8.7390 8.7390 9.0200 9.0200 9.6928 9.6928 9.8895 9.8895 11.2175 11.2175 12.5702 12.5702 12.7292 12.7292 13.2302 13.2302 k = 0.4083 0.4283 0.2291 ( 3418 PWs) bands (ev): -17.8665 -17.8665 -4.6975 -4.6975 -3.7412 -3.7412 -3.0616 -3.0616 -2.0690 -2.0690 -1.9051 -1.9051 4.9116 4.9116 5.0980 5.0980 5.9237 5.9237 5.9762 5.9762 6.0930 6.0930 6.3892 6.3892 7.1511 7.1511 7.8439 7.8439 8.1138 8.1138 8.1801 8.1801 8.3268 8.3268 8.4620 8.4620 8.7617 8.7617 9.0327 9.0327 9.6757 9.6757 9.8892 9.8892 11.2608 11.2608 12.6086 12.6086 12.6839 12.6839 13.1676 13.1676 k = 0.4022 0.4423 0.2444 ( 3420 PWs) bands (ev): -17.8638 -17.8638 -4.6964 -4.6964 -3.7492 -3.7492 -3.0623 -3.0623 -2.0587 -2.0587 -1.9124 -1.9124 4.8984 4.8984 5.0793 5.0793 5.9321 5.9321 5.9861 5.9861 6.0679 6.0679 6.3750 6.3750 7.1646 7.1646 7.8298 7.8298 8.1087 8.1087 8.1704 8.1704 8.3131 8.3131 8.4419 8.4419 8.7857 8.7857 9.0448 9.0448 9.6594 9.6594 9.8886 9.8886 11.2974 11.2974 12.5981 12.5981 12.6824 12.6824 13.1265 13.1265 k = 0.3961 0.4563 0.2597 ( 3418 PWs) bands (ev): -17.8610 -17.8610 -4.6965 -4.6965 -3.7554 -3.7554 -3.0629 -3.0629 -2.0498 -2.0498 -1.9190 -1.9190 4.8857 4.8857 5.0560 5.0560 5.9406 5.9406 5.9925 5.9925 6.0506 6.0506 6.3605 6.3605 7.1788 7.1788 7.8155 7.8155 8.1030 8.1030 8.1612 8.1612 8.2988 8.2988 8.4214 8.4214 8.8107 8.8107 9.0566 9.0566 9.6441 9.6441 9.8876 9.8876 11.3255 11.3255 12.5512 12.5512 12.7096 12.7096 13.1116 13.1116 k = 0.3900 0.4703 0.2750 ( 3414 PWs) bands (ev): -17.8581 -17.8581 -4.6979 -4.6979 -3.7597 -3.7597 -3.0634 -3.0634 -2.0428 -2.0428 -1.9244 -1.9244 4.8735 4.8735 5.0282 5.0282 5.9492 5.9492 5.9922 5.9922 6.0451 6.0451 6.3456 6.3456 7.1939 7.1939 7.8013 7.8013 8.0959 8.0959 8.1526 8.1526 8.2840 8.2840 8.4004 8.4004 8.8363 8.8363 9.0679 9.0679 9.6299 9.6299 9.8862 9.8862 11.3435 11.3435 12.5003 12.5003 12.7328 12.7328 13.1255 13.1255 k = 0.3839 0.4843 0.2902 ( 3414 PWs) bands (ev): -17.8552 -17.8552 -4.7006 -4.7006 -3.7618 -3.7618 -3.0638 -3.0638 -2.0386 -2.0386 -1.9280 -1.9280 4.8620 4.8620 4.9960 4.9960 5.9573 5.9573 5.9868 5.9868 6.0498 6.0498 6.3305 6.3305 7.2096 7.2096 7.7874 7.7874 8.0875 8.0875 8.1446 8.1446 8.2687 8.2687 8.3790 8.3790 8.8619 8.8619 9.0787 9.0787 9.6169 9.6169 9.8843 9.8843 11.3506 11.3506 12.4500 12.4500 12.7515 12.7515 13.1656 13.1656 k = 0.3777 0.4983 0.3055 ( 3416 PWs) bands (ev): -17.8522 -17.8522 -4.7048 -4.7048 -3.7614 -3.7614 -3.0641 -3.0641 -2.0378 -2.0378 -1.9292 -1.9292 4.8513 4.8513 4.9600 4.9600 5.9629 5.9629 5.9835 5.9835 6.0594 6.0594 6.3151 6.3151 7.2262 7.2262 7.7740 7.7740 8.0777 8.0777 8.1371 8.1371 8.2529 8.2529 8.3572 8.3572 8.8872 8.8872 9.0890 9.0890 9.6050 9.6050 9.8818 9.8818 11.3469 11.3469 12.4013 12.4013 12.7703 12.7703 13.2264 13.2264 k = 0.3716 0.5123 0.3208 ( 3424 PWs) bands (ev): -17.8493 -17.8493 -4.7104 -4.7104 -3.7586 -3.7586 -3.0643 -3.0643 -2.0407 -2.0407 -1.9277 -1.9277 4.8416 4.8416 4.9207 4.9207 5.9637 5.9637 5.9871 5.9871 6.0709 6.0709 6.2996 6.2996 7.2435 7.2435 7.7615 7.7615 8.0665 8.0665 8.1301 8.1301 8.2368 8.2368 8.3350 8.3350 8.9116 8.9116 9.0989 9.0989 9.5944 9.5944 9.8787 9.8787 11.3336 11.3336 12.3548 12.3548 12.7932 12.7932 13.3025 13.3025 k = 0.3655 0.5263 0.3361 ( 3424 PWs) bands (ev): -17.8463 -17.8463 -4.7174 -4.7174 -3.7533 -3.7533 -3.0645 -3.0645 -2.0469 -2.0469 -1.9240 -1.9240 4.8326 4.8326 4.8791 4.8791 5.9628 5.9628 5.9953 5.9953 6.0831 6.0831 6.2840 6.2840 7.2615 7.2615 7.7498 7.7498 8.0543 8.0543 8.1232 8.1232 8.2203 8.2203 8.3125 8.3125 8.9349 8.9349 9.1084 9.1084 9.5850 9.5850 9.8749 9.8749 11.3125 11.3125 12.3109 12.3109 12.8220 12.8220 13.3902 13.3902 k = 0.3594 0.5403 0.3513 ( 3428 PWs) bands (ev): -17.8434 -17.8434 -4.7256 -4.7256 -3.7455 -3.7455 -3.0646 -3.0646 -2.0559 -2.0559 -1.9187 -1.9187 4.8222 4.8222 4.8382 4.8382 5.9630 5.9630 6.0049 6.0049 6.0954 6.0954 6.2684 6.2684 7.2802 7.2802 7.7391 7.7391 8.0413 8.0413 8.1161 8.1161 8.2037 8.2037 8.2897 8.2897 8.9566 8.9566 9.1175 9.1175 9.5769 9.5769 9.8703 9.8703 11.2860 11.2860 12.2700 12.2700 12.8565 12.8565 13.4870 13.4870 k = 0.3533 0.5543 0.3666 ( 3428 PWs) bands (ev): -17.8405 -17.8405 -4.7350 -4.7350 -3.7354 -3.7354 -3.0647 -3.0647 -2.0669 -2.0669 -1.9125 -1.9125 4.7875 4.7875 4.8219 4.8219 5.9646 5.9646 6.0153 6.0153 6.1078 6.1078 6.2529 6.2529 7.2996 7.2996 7.7296 7.7296 8.0276 8.0276 8.1088 8.1088 8.1870 8.1870 8.2666 8.2666 8.9763 8.9763 9.1262 9.1262 9.5698 9.5698 9.8649 9.8649 11.2566 11.2566 12.2323 12.2323 12.8961 12.8961 13.5900 13.5900 k = 0.3472 0.5683 0.3819 ( 3428 PWs) bands (ev): -17.8377 -17.8377 -4.7455 -4.7455 -3.7230 -3.7230 -3.0647 -3.0647 -2.0794 -2.0794 -1.9061 -1.9061 4.7428 4.7428 4.8165 4.8165 5.9673 5.9673 6.0259 6.0259 6.1199 6.1199 6.2375 6.2375 7.3195 7.3195 7.7212 7.7212 8.0134 8.0134 8.1011 8.1011 8.1702 8.1702 8.2434 8.2434 8.9938 8.9938 9.1343 9.1343 9.5640 9.5640 9.8586 9.8586 11.2264 11.2264 12.1980 12.1980 12.9397 12.9397 13.6919 13.6919 k = 0.3411 0.5823 0.3972 ( 3426 PWs) bands (ev): -17.8349 -17.8349 -4.7567 -4.7567 -3.7086 -3.7086 -3.0646 -3.0646 -2.0931 -2.0931 -1.8997 -1.8997 4.6978 4.6978 4.8131 4.8131 5.9709 5.9709 6.0368 6.0368 6.1316 6.1316 6.2223 6.2223 7.3402 7.3402 7.7140 7.7140 7.9988 7.9988 8.0929 8.0929 8.1536 8.1536 8.2202 8.2202 9.0087 9.0087 9.1418 9.1418 9.5591 9.5591 9.8513 9.8513 11.1975 11.1975 12.1673 12.1673 12.9863 12.9863 13.7455 13.7455 k = 0.3350 0.5963 0.4124 ( 3422 PWs) bands (ev): -17.8322 -17.8322 -4.7684 -4.7684 -3.6926 -3.6926 -3.0644 -3.0644 -2.1075 -2.1075 -1.8938 -1.8938 4.6535 4.6535 4.8114 4.8114 5.9747 5.9747 6.0478 6.0478 6.1429 6.1429 6.2075 6.2075 7.3614 7.3614 7.7079 7.7079 7.9839 7.9839 8.0841 8.0841 8.1373 8.1373 8.1969 8.1969 9.0211 9.0211 9.1486 9.1486 9.5552 9.5552 9.8430 9.8430 11.1715 11.1715 12.1404 12.1404 13.0352 13.0352 13.7543 13.7543 k = 0.3288 0.6103 0.4277 ( 3420 PWs) bands (ev): -17.8297 -17.8297 -4.7805 -4.7805 -3.6750 -3.6750 -3.0639 -3.0639 -2.1226 -2.1226 -1.8886 -1.8886 4.6105 4.6105 4.8113 4.8113 5.9783 5.9783 6.0588 6.0588 6.1533 6.1533 6.1933 6.1933 7.3829 7.3829 7.7030 7.7030 7.9689 7.9689 8.0747 8.0747 8.1212 8.1212 8.1739 8.1739 9.0309 9.0309 9.1544 9.1544 9.5522 9.5522 9.8336 9.8336 11.1499 11.1499 12.1174 12.1174 13.0857 13.0857 13.7612 13.7612 k = 0.3227 0.6243 0.4430 ( 3422 PWs) bands (ev): -17.8272 -17.8272 -4.7928 -4.7928 -3.6565 -3.6565 -3.0632 -3.0632 -2.1380 -2.1380 -1.8841 -1.8841 4.5694 4.5694 4.8128 4.8128 5.9813 5.9813 6.0700 6.0700 6.1616 6.1616 6.1812 6.1812 7.4048 7.4048 7.6993 7.6993 7.9537 7.9537 8.0645 8.0645 8.1056 8.1056 8.1514 8.1514 9.0380 9.0380 9.1593 9.1593 9.5500 9.5500 9.8231 9.8231 11.1335 11.1335 12.0984 12.0984 13.1376 13.1376 13.7713 13.7713 k = 0.3166 0.6383 0.4583 ( 3422 PWs) bands (ev): -17.8249 -17.8249 -4.8050 -4.8050 -3.6371 -3.6371 -3.0620 -3.0620 -2.1537 -2.1537 -1.8806 -1.8806 4.5304 4.5304 4.8161 4.8161 5.9832 5.9832 6.0811 6.0811 6.1591 6.1591 6.1795 6.1795 7.4271 7.4271 7.6967 7.6967 7.9386 7.9386 8.0533 8.0533 8.0909 8.0909 8.1296 8.1296 9.0425 9.0425 9.1634 9.1634 9.5486 9.5486 9.8114 9.8114 11.1231 11.1231 12.0835 12.0835 13.1903 13.1903 13.7851 13.7851 k = 0.3105 0.6523 0.4735 ( 3426 PWs) bands (ev): -17.8228 -17.8228 -4.8169 -4.8169 -3.6175 -3.6175 -3.0603 -3.0603 -2.1694 -2.1694 -1.8782 -1.8782 4.4940 4.4940 4.8210 4.8210 5.9836 5.9836 6.0923 6.0923 6.1475 6.1475 6.1869 6.1869 7.4496 7.4496 7.6953 7.6953 7.9235 7.9235 8.0406 8.0406 8.0773 8.0773 8.1089 8.1089 9.0443 9.0443 9.1667 9.1667 9.5478 9.5478 9.7986 9.7986 11.1191 11.1191 12.0728 12.0728 13.2438 13.2438 13.8028 13.8028 k = 0.3044 0.6663 0.4888 ( 3432 PWs) bands (ev): -17.8208 -17.8208 -4.8283 -4.8283 -3.5980 -3.5980 -3.0579 -3.0579 -2.1851 -2.1851 -1.8769 -1.8769 4.4605 4.4605 4.8276 4.8276 5.9821 5.9821 6.1033 6.1033 6.1347 6.1347 6.1951 6.1951 7.4722 7.4722 7.6948 7.6948 7.9088 7.9088 8.0264 8.0264 8.0646 8.0646 8.0899 8.0899 9.0434 9.0434 9.1696 9.1696 9.5476 9.5476 9.7846 9.7846 11.1217 11.1217 12.0663 12.0663 13.2977 13.2977 13.8241 13.8241 k = 0.2983 0.6803 0.5041 ( 3440 PWs) bands (ev): -17.8190 -17.8190 -4.8392 -4.8392 -3.5791 -3.5791 -3.0545 -3.0545 -2.2006 -2.2006 -1.8767 -1.8767 4.4302 4.4302 4.8359 4.8359 5.9784 5.9784 6.1142 6.1142 6.1222 6.1222 6.2031 6.2031 7.4946 7.4946 7.6953 7.6953 7.8945 7.8945 8.0105 8.0105 8.0527 8.0527 8.0734 8.0734 9.0398 9.0398 9.1725 9.1725 9.5478 9.5478 9.7694 9.7694 11.1308 11.1308 12.0640 12.0640 13.3520 13.3520 13.8487 13.8487 k = 0.2922 0.6943 0.5194 ( 3440 PWs) bands (ev): -17.8174 -17.8174 -4.8492 -4.8492 -3.5613 -3.5613 -3.0501 -3.0501 -2.2157 -2.2157 -1.8778 -1.8778 4.4031 4.4031 4.8460 4.8460 5.9722 5.9722 6.1098 6.1098 6.1254 6.1254 6.2106 6.2106 7.5170 7.5170 7.6964 7.6964 7.8810 7.8810 7.9935 7.9935 8.0409 8.0409 8.0601 8.0601 9.0337 9.0337 9.1758 9.1758 9.5485 9.5485 9.7530 9.7530 11.1462 11.1462 12.0659 12.0659 13.4065 13.4065 13.8762 13.8762 k = 0.2861 0.7083 0.5346 ( 3440 PWs) bands (ev): -17.8160 -17.8160 -4.8582 -4.8582 -3.5449 -3.5449 -3.0443 -3.0443 -2.2302 -2.2302 -1.8800 -1.8800 4.3796 4.3796 4.8578 4.8578 5.9633 5.9633 6.0982 6.0982 6.1362 6.1362 6.2176 6.2176 7.5389 7.5389 7.6980 7.6980 7.8685 7.8685 7.9758 7.9758 8.0289 8.0289 8.0501 8.0501 9.0253 9.0253 9.1797 9.1797 9.5495 9.5495 9.7356 9.7356 11.1676 11.1676 12.0720 12.0720 13.4610 13.4610 13.9056 13.9056 k = 0.2799 0.7223 0.5499 ( 3440 PWs) bands (ev): -17.8148 -17.8148 -4.8663 -4.8663 -3.5306 -3.5306 -3.0370 -3.0370 -2.2441 -2.2441 -1.8836 -1.8836 4.3597 4.3597 4.8712 4.8712 5.9515 5.9515 6.0870 6.0870 6.1468 6.1468 6.2239 6.2239 7.5602 7.5602 7.6994 7.6994 7.8576 7.8576 7.9581 7.9581 8.0171 8.0171 8.0427 8.0427 9.0149 9.0149 9.1843 9.1843 9.5507 9.5507 9.7172 9.7172 11.1944 11.1944 12.0823 12.0823 13.5152 13.5152 13.9342 13.9342 k = 0.2738 0.7363 0.5652 ( 3440 PWs) bands (ev): -17.8138 -17.8138 -4.8732 -4.8732 -3.5185 -3.5185 -3.0282 -3.0282 -2.2571 -2.2571 -1.8883 -1.8883 4.3435 4.3435 4.8864 4.8864 5.9367 5.9367 6.0764 6.0764 6.1574 6.1574 6.2296 6.2296 7.5807 7.5807 7.7000 7.7000 7.8488 7.8488 7.9413 7.9413 8.0060 8.0060 8.0374 8.0374 9.0031 9.0031 9.1899 9.1899 9.5519 9.5519 9.6981 9.6981 11.2261 11.2261 12.0966 12.0966 13.5690 13.5690 13.9552 13.9552 k = 0.2738 0.7363 0.5652 ( 3440 PWs) bands (ev): -17.8138 -17.8138 -4.8732 -4.8732 -3.5185 -3.5185 -3.0282 -3.0282 -2.2571 -2.2571 -1.8883 -1.8883 4.3435 4.3435 4.8864 4.8864 5.9367 5.9367 6.0764 6.0764 6.1574 6.1574 6.2296 6.2296 7.5807 7.5807 7.7000 7.7000 7.8488 7.8488 7.9413 7.9413 8.0060 8.0060 8.0374 8.0374 9.0031 9.0031 9.1899 9.1899 9.5519 9.5519 9.6981 9.6981 11.2261 11.2261 12.0966 12.0966 13.5690 13.5690 13.9552 13.9552 k = 0.2528 0.7321 0.5698 ( 3434 PWs) bands (ev): -17.8135 -17.8135 -4.8750 -4.8750 -3.5154 -3.5154 -3.0249 -3.0249 -2.2610 -2.2610 -1.8901 -1.8901 4.3401 4.3401 4.8900 4.8900 5.9329 5.9329 6.0729 6.0729 6.1609 6.1609 6.2303 6.2303 7.5867 7.5867 7.6999 7.6999 7.8469 7.8469 7.9364 7.9364 8.0029 8.0029 8.0359 8.0359 9.0010 9.0010 9.1919 9.1919 9.5492 9.5492 9.6917 9.6917 11.2392 11.2392 12.1041 12.1041 13.5842 13.5842 13.9340 13.9340 k = 0.2317 0.7279 0.5744 ( 3440 PWs) bands (ev): -17.8133 -17.8133 -4.8768 -4.8768 -3.5124 -3.5124 -3.0210 -3.0210 -2.2652 -2.2652 -1.8922 -1.8922 4.3388 4.3388 4.8912 4.8912 5.9313 5.9313 6.0689 6.0689 6.1650 6.1650 6.2293 6.2293 7.5928 7.5928 7.6996 7.6996 7.8455 7.8455 7.9316 7.9316 7.9999 7.9999 8.0339 8.0339 9.0024 9.0024 9.1941 9.1941 9.5403 9.5403 9.6843 9.6843 11.2572 11.2572 12.1171 12.1171 13.5975 13.5975 13.8994 13.8994 k = 0.2106 0.7237 0.5789 ( 3435 PWs) bands (ev): -17.8131 -17.8131 -4.8785 -4.8785 -3.5096 -3.5096 -3.0166 -3.0166 -2.2697 -2.2697 -1.8946 -1.8946 4.3391 4.3391 4.8901 4.8901 5.9320 5.9320 6.0648 6.0648 6.1693 6.1693 6.2268 6.2268 7.5992 7.5992 7.6990 7.6990 7.8448 7.8448 7.9267 7.9267 7.9970 7.9970 8.0316 8.0316 9.0071 9.0071 9.1964 9.1964 9.5261 9.5261 9.6763 9.6763 11.2789 11.2789 12.1359 12.1359 13.6078 13.6078 13.8655 13.8655 k = 0.1896 0.7195 0.5835 ( 3438 PWs) bands (ev): -17.8129 -17.8129 -4.8802 -4.8802 -3.5070 -3.5070 -3.0119 -3.0119 -2.2744 -2.2744 -1.8970 -1.8970 4.3411 4.3411 4.8867 4.8867 5.9351 5.9351 6.0606 6.0606 6.1736 6.1736 6.2227 6.2227 7.6055 7.6055 7.6979 7.6979 7.8448 7.8448 7.9218 7.9218 7.9943 7.9943 8.0290 8.0290 9.0150 9.0150 9.1988 9.1988 9.5071 9.5071 9.6680 9.6680 11.3027 11.3027 12.1605 12.1605 13.6144 13.6144 13.8339 13.8339 k = 0.1685 0.7153 0.5881 ( 3438 PWs) bands (ev): -17.8127 -17.8127 -4.8817 -4.8817 -3.5046 -3.5046 -3.0069 -3.0069 -2.2792 -2.2792 -1.8994 -1.8994 4.3445 4.3445 4.8814 4.8814 5.9404 5.9404 6.0566 6.0566 6.1776 6.1776 6.2175 6.2175 7.6120 7.6120 7.6964 7.6964 7.8456 7.8456 7.9169 7.9169 7.9919 7.9919 8.0262 8.0262 9.0260 9.0260 9.2012 9.2012 9.4842 9.4842 9.6596 9.6596 11.3269 11.3269 12.1906 12.1906 13.6160 13.6160 13.8052 13.8052 k = 0.1474 0.7111 0.5927 ( 3434 PWs) bands (ev): -17.8126 -17.8126 -4.8831 -4.8831 -3.5025 -3.5025 -3.0019 -3.0019 -2.2839 -2.2839 -1.9017 -1.9017 4.3488 4.3488 4.8746 4.8746 5.9475 5.9475 6.0529 6.0529 6.1809 6.1809 6.2114 6.2114 7.6186 7.6186 7.6943 7.6943 7.8472 7.8472 7.9119 7.9119 7.9897 7.9897 8.0233 8.0233 9.0400 9.0400 9.2035 9.2035 9.4582 9.4582 9.6516 9.6516 11.3503 11.3503 12.2259 12.2259 13.6119 13.6119 13.7795 13.7795 k = 0.1264 0.7069 0.5973 ( 3433 PWs) bands (ev): -17.8124 -17.8124 -4.8843 -4.8843 -3.5006 -3.5006 -2.9972 -2.9972 -2.2885 -2.2885 -1.9038 -1.9038 4.3539 4.3539 4.8669 4.8669 5.9561 5.9561 6.0495 6.0495 6.1830 6.1830 6.2052 6.2052 7.6252 7.6252 7.6916 7.6916 7.8495 7.8495 7.9068 7.9068 7.9878 7.9878 8.0205 8.0205 9.0565 9.0565 9.2056 9.2056 9.4300 9.4300 9.6441 9.6441 11.3717 11.3717 12.2650 12.2650 13.6019 13.6019 13.7569 13.7569 k = 0.1053 0.7027 0.6018 ( 3427 PWs) bands (ev): -17.8123 -17.8123 -4.8854 -4.8854 -3.4990 -3.4990 -2.9927 -2.9927 -2.2927 -2.2927 -1.9057 -1.9057 4.3593 4.3593 4.8587 4.8587 5.9657 5.9657 6.0465 6.0465 6.1824 6.1824 6.2007 6.2007 7.6319 7.6319 7.6883 7.6883 7.8525 7.8525 7.9017 7.9017 7.9861 7.9861 8.0178 8.0178 9.0754 9.0754 9.2075 9.2075 9.4004 9.4004 9.6374 9.6374 11.3904 11.3904 12.3062 12.3062 13.5862 13.5862 13.7375 13.7375 k = 0.0843 0.6985 0.6064 ( 3423 PWs) bands (ev): -17.8122 -17.8122 -4.8863 -4.8863 -3.4977 -3.4977 -2.9888 -2.9888 -2.2964 -2.2964 -1.9074 -1.9074 4.3645 4.3645 4.8508 4.8508 5.9755 5.9755 6.0439 6.0439 6.1782 6.1782 6.1993 6.1993 7.6385 7.6385 7.6844 7.6844 7.8562 7.8562 7.8965 7.8965 7.9848 7.9848 8.0154 8.0154 9.0961 9.0961 9.2090 9.2090 9.3704 9.3704 9.6317 9.6317 11.4060 11.4060 12.3471 12.3471 13.5666 13.5666 13.7213 13.7213 k = 0.0632 0.6943 0.6110 ( 3422 PWs) bands (ev): -17.8122 -17.8122 -4.8870 -4.8870 -3.4967 -3.4967 -2.9856 -2.9856 -2.2994 -2.2994 -1.9086 -1.9086 4.3692 4.3692 4.8439 4.8439 5.9848 5.9848 6.0417 6.0417 6.1721 6.1721 6.1996 6.1996 7.6451 7.6451 7.6800 7.6800 7.8604 7.8604 7.8912 7.8912 7.9838 7.9838 8.0134 8.0134 9.1176 9.1176 9.2102 9.2102 9.3413 9.3413 9.6270 9.6270 11.4180 11.4180 12.3844 12.3844 13.5455 13.5455 13.7086 13.7086 k = 0.0421 0.6901 0.6156 ( 3421 PWs) bands (ev): -17.8121 -17.8121 -4.8875 -4.8875 -3.4959 -3.4959 -2.9832 -2.9832 -2.3017 -2.3017 -1.9096 -1.9096 4.3730 4.3730 4.8384 4.8384 5.9926 5.9926 6.0401 6.0401 6.1663 6.1663 6.2005 6.2005 7.6515 7.6515 7.6751 7.6751 7.8650 7.8650 7.8858 7.8858 7.9830 7.9830 8.0119 8.0119 9.1386 9.1386 9.2108 9.2108 9.3150 9.3150 9.6236 9.6236 11.4267 11.4267 12.4149 12.4149 13.5264 13.5264 13.6994 13.6994 k = 0.0211 0.6859 0.6202 ( 3423 PWs) bands (ev): -17.8121 -17.8121 -4.8878 -4.8878 -3.4955 -3.4955 -2.9817 -2.9817 -2.3031 -2.3031 -1.9101 -1.9101 4.3753 4.3753 4.8349 4.8349 5.9979 5.9979 6.0390 6.0390 6.1622 6.1622 6.2011 6.2011 7.6578 7.6578 7.6697 7.6697 7.8699 7.8699 7.8805 7.8805 7.9825 7.9825 8.0109 8.0109 9.1558 9.1558 9.2107 9.2107 9.2951 9.2951 9.6216 9.6216 11.4318 11.4318 12.4349 12.4349 13.5130 13.5130 13.6939 13.6939 k = 0.0000 0.6817 0.6248 ( 3422 PWs) bands (ev): -17.8121 -17.8121 -4.8879 -4.8879 -3.4953 -3.4953 -2.9812 -2.9812 -2.3036 -2.3036 -1.9103 -1.9103 4.3762 4.3762 4.8337 4.8337 5.9998 5.9998 6.0386 6.0386 6.1608 6.1608 6.2013 6.2013 7.6629 7.6629 7.6649 7.6649 7.8746 7.8746 7.8757 7.8757 7.9824 7.9824 8.0106 8.0106 9.1630 9.1630 9.2104 9.2104 9.2872 9.2872 9.6209 9.6209 11.4335 11.4335 12.4419 12.4419 13.5082 13.5082 13.6921 13.6921 k = 0.0000 0.6817 0.6248 ( 3422 PWs) bands (ev): -17.8121 -17.8121 -4.8879 -4.8879 -3.4953 -3.4953 -2.9812 -2.9812 -2.3036 -2.3036 -1.9103 -1.9103 4.3762 4.3762 4.8337 4.8337 5.9998 5.9998 6.0386 6.0386 6.1608 6.1608 6.2013 6.2013 7.6629 7.6629 7.6649 7.6649 7.8746 7.8746 7.8757 7.8757 7.9824 7.9824 8.0106 8.0106 9.1630 9.1630 9.2104 9.2104 9.2872 9.2872 9.6209 9.6209 11.4335 11.4335 12.4419 12.4419 13.5082 13.5082 13.6921 13.6921 k = 0.0061 0.6678 0.6400 ( 3422 PWs) bands (ev): -17.8120 -17.8120 -4.8875 -4.8875 -3.4952 -3.4952 -2.9807 -2.9807 -2.3043 -2.3043 -1.9111 -1.9111 4.3770 4.3770 4.8323 4.8323 5.9990 5.9990 6.0392 6.0392 6.1583 6.1583 6.2032 6.2032 7.6607 7.6607 7.6655 7.6655 7.8704 7.8704 7.8798 7.8798 7.9826 7.9826 8.0111 8.0111 9.1534 9.1534 9.2145 9.2145 9.2896 9.2896 9.6174 9.6174 11.4375 11.4375 12.4497 12.4497 13.5010 13.5010 13.6929 13.6929 k = 0.0122 0.6538 0.6552 ( 3424 PWs) bands (ev): -17.8117 -17.8117 -4.8865 -4.8865 -3.4947 -3.4947 -2.9794 -2.9794 -2.3062 -2.3062 -1.9136 -1.9136 4.3796 4.3796 4.8281 4.8281 5.9964 5.9964 6.0409 6.0409 6.1517 6.1517 6.2081 6.2081 7.6563 7.6563 7.6650 7.6650 7.8658 7.8658 7.8843 7.8843 7.9834 7.9834 8.0125 8.0125 9.1320 9.1320 9.2194 9.2194 9.2968 9.2968 9.6073 9.6073 11.4493 11.4493 12.4730 12.4730 13.4806 13.4806 13.6949 13.6949 k = 0.0183 0.6398 0.6705 ( 3424 PWs) bands (ev): -17.8111 -17.8111 -4.8847 -4.8847 -3.4940 -3.4940 -2.9772 -2.9772 -2.3094 -2.3094 -1.9176 -1.9176 4.3839 4.3839 4.8212 4.8212 5.9922 5.9922 6.0437 6.0437 6.1420 6.1420 6.2150 6.2150 7.6504 7.6504 7.6630 7.6630 7.8610 7.8610 7.8882 7.8882 7.9850 7.9850 8.0149 8.0149 9.1056 9.1056 9.2195 9.2195 9.3073 9.3073 9.5917 9.5917 11.4687 11.4687 12.5113 12.5113 13.4497 13.4497 13.6971 13.6971 k = 0.0244 0.6259 0.6857 ( 3432 PWs) bands (ev): -17.8104 -17.8104 -4.8822 -4.8822 -3.4930 -3.4930 -2.9742 -2.9742 -2.3139 -2.3139 -1.9232 -1.9232 4.3898 4.3898 4.8116 4.8116 5.9865 5.9865 6.0473 6.0473 6.1300 6.1300 6.2232 6.2232 7.6432 7.6432 7.6595 7.6595 7.8560 7.8560 7.8914 7.8914 7.9876 7.9876 8.0181 8.0181 9.0765 9.0765 9.2141 9.2141 9.3186 9.3186 9.5719 9.5719 11.4953 11.4953 12.5640 12.5640 13.4110 13.4110 13.6992 13.6992 k = 0.0305 0.6119 0.7009 ( 3436 PWs) bands (ev): -17.8095 -17.8095 -4.8790 -4.8790 -3.4916 -3.4916 -2.9702 -2.9702 -2.3196 -2.3196 -1.9303 -1.9303 4.3972 4.3972 4.7996 4.7996 5.9793 5.9793 6.0515 6.0515 6.1160 6.1160 6.2326 6.2326 7.6350 7.6350 7.6548 7.6548 7.8502 7.8502 7.8936 7.8936 7.9914 7.9914 8.0222 8.0222 9.0460 9.0460 9.2036 9.2036 9.3289 9.3289 9.5499 9.5499 11.5287 11.5287 12.6299 12.6299 13.3670 13.3670 13.7017 13.7017 k = 0.0366 0.5979 0.7162 ( 3442 PWs) bands (ev): -17.8084 -17.8084 -4.8751 -4.8751 -3.4900 -3.4900 -2.9655 -2.9655 -2.3265 -2.3265 -1.9389 -1.9389 4.4060 4.4060 4.7854 4.7854 5.9707 5.9707 6.0560 6.0560 6.1004 6.1004 6.2431 6.2431 7.6260 7.6260 7.6491 7.6491 7.8436 7.8436 7.8947 7.8947 7.9964 7.9964 8.0272 8.0272 9.0146 9.0146 9.1878 9.1878 9.3367 9.3367 9.5276 9.5276 11.5685 11.5685 12.7079 12.7079 13.3195 13.3195 13.7056 13.7056 k = 0.0427 0.5840 0.7314 ( 3438 PWs) bands (ev): -17.8072 -17.8072 -4.8707 -4.8707 -3.4880 -3.4880 -2.9600 -2.9600 -2.3345 -2.3345 -1.9490 -1.9490 4.4159 4.4159 4.7691 4.7691 5.9608 5.9608 6.0596 6.0596 6.0843 6.0843 6.2547 6.2547 7.6162 7.6162 7.6427 7.6427 7.8359 7.8359 7.8946 7.8946 8.0025 8.0025 8.0331 8.0331 8.9827 8.9827 9.1668 9.1668 9.3413 9.3413 9.5067 9.5067 11.6145 11.6145 12.7967 12.7967 13.2700 13.2700 13.7120 13.7120 k = 0.0488 0.5700 0.7467 ( 3434 PWs) bands (ev): -17.8057 -17.8057 -4.8657 -4.8657 -3.4857 -3.4857 -2.9536 -2.9536 -2.3435 -2.3435 -1.9604 -1.9604 4.4269 4.4269 4.7510 4.7510 5.9494 5.9494 6.0550 6.0550 6.0749 6.0749 6.2675 6.2675 7.6059 7.6059 7.6359 7.6359 7.8269 7.8269 7.8933 7.8933 8.0094 8.0094 8.0398 8.0398 8.9507 8.9507 9.1406 9.1406 9.3425 9.3425 9.4884 9.4884 11.6664 11.6664 12.8949 12.8949 13.2197 13.2197 13.7218 13.7218 k = 0.0549 0.5560 0.7619 ( 3430 PWs) bands (ev): -17.8041 -17.8041 -4.8602 -4.8602 -3.4830 -3.4830 -2.9465 -2.9465 -2.3535 -2.3535 -1.9732 -1.9732 4.4386 4.4386 4.7314 4.7314 5.9367 5.9367 6.0374 6.0374 6.0773 6.0773 6.2814 6.2814 7.5952 7.5952 7.6288 7.6288 7.8168 7.8168 7.8907 7.8907 8.0168 8.0168 8.0474 8.0474 8.9187 8.9187 9.1099 9.1099 9.3404 9.3404 9.4727 9.4727 11.7239 11.7239 13.0008 13.0008 13.1697 13.1697 13.7358 13.7358 k = 0.0610 0.5421 0.7771 ( 3426 PWs) bands (ev): -17.8023 -17.8023 -4.8541 -4.8541 -3.4799 -3.4799 -2.9387 -2.9387 -2.3644 -2.3644 -1.9872 -1.9872 4.4508 4.4508 4.7104 4.7104 5.9228 5.9228 6.0160 6.0160 6.0822 6.0822 6.2965 6.2965 7.5841 7.5841 7.6216 7.6216 7.8056 7.8056 7.8868 7.8868 8.0247 8.0247 8.0558 8.0558 8.8870 8.8870 9.0757 9.0757 9.3353 9.3353 9.4592 9.4592 11.7869 11.7869 13.1071 13.1071 13.1267 13.1267 13.7545 13.7545 k = 0.0671 0.5281 0.7924 ( 3428 PWs) bands (ev): -17.8004 -17.8004 -4.8477 -4.8477 -3.4765 -3.4765 -2.9302 -2.9302 -2.3761 -2.3761 -2.0024 -2.0024 4.4632 4.4632 4.6884 4.6884 5.9076 5.9076 5.9932 5.9932 6.0874 6.0874 6.3125 6.3125 7.5729 7.5729 7.6144 7.6144 7.7935 7.7935 7.8815 7.8815 8.0325 8.0325 8.0647 8.0647 8.8556 8.8556 9.0390 9.0390 9.3276 9.3276 9.4469 9.4469 11.8552 11.8552 13.0715 13.0715 13.2318 13.2318 13.7781 13.7781 k = 0.0732 0.5141 0.8076 ( 3422 PWs) bands (ev): -17.7983 -17.7983 -4.8410 -4.8410 -3.4726 -3.4726 -2.9211 -2.9211 -2.3884 -2.3884 -2.0187 -2.0187 4.4756 4.4756 4.6656 4.6656 5.8913 5.8913 5.9698 5.9698 6.0924 6.0924 6.3296 6.3296 7.5616 7.5616 7.6074 7.6074 7.7807 7.7807 7.8748 7.8748 8.0404 8.0404 8.0741 8.0741 8.8247 8.8247 9.0011 9.0011 9.3179 9.3179 9.4351 9.4351 11.9285 11.9285 13.0262 13.0262 13.3511 13.3511 13.8069 13.8069 k = 0.0793 0.5002 0.8228 ( 3414 PWs) bands (ev): -17.7961 -17.7961 -4.8339 -4.8339 -3.4682 -3.4682 -2.9113 -2.9113 -2.4013 -2.4013 -2.0362 -2.0362 4.4874 4.4874 4.6422 4.6422 5.8740 5.8740 5.9463 5.9463 6.0969 6.0969 6.3476 6.3476 7.5504 7.5504 7.6005 7.6005 7.7674 7.7674 7.8666 7.8666 8.0482 8.0482 8.0838 8.0838 8.7943 8.7943 8.9630 8.9630 9.3063 9.3063 9.4230 9.4230 12.0066 12.0066 12.9833 12.9833 13.4697 13.4697 13.8408 13.8408 k = 0.0854 0.4862 0.8381 ( 3420 PWs) bands (ev): -17.7938 -17.7938 -4.8266 -4.8266 -3.4633 -3.4633 -2.9010 -2.9010 -2.4146 -2.4146 -2.0547 -2.0547 4.4983 4.4983 4.6187 4.6187 5.8556 5.8556 5.9230 5.9230 6.1007 6.1007 6.3664 6.3664 7.5393 7.5393 7.5939 7.5939 7.7539 7.7539 7.8569 7.8569 8.0558 8.0558 8.0936 8.0936 8.7646 8.7646 8.9254 8.9254 9.2930 9.2930 9.4101 9.4101 12.0890 12.0890 12.9433 12.9433 13.5817 13.5817 13.8798 13.8798 k = 0.0915 0.4722 0.8533 ( 3424 PWs) bands (ev): -17.7914 -17.7914 -4.8193 -4.8193 -3.4579 -3.4579 -2.8902 -2.8902 -2.4283 -2.4283 -2.0741 -2.0741 4.5079 4.5079 4.5952 4.5952 5.8364 5.8364 5.9006 5.9006 6.1037 6.1037 6.3861 6.3861 7.5285 7.5285 7.5874 7.5874 7.7403 7.7403 7.8459 7.8459 8.0631 8.0631 8.1033 8.1033 8.7355 8.7355 8.8889 8.8889 9.2782 9.2782 9.3962 9.3962 12.1751 12.1751 12.9065 12.9065 13.6762 13.6762 13.9235 13.9235 k = 0.0976 0.4583 0.8686 ( 3428 PWs) bands (ev): -17.7889 -17.7889 -4.8118 -4.8118 -3.4518 -3.4518 -2.8789 -2.8789 -2.4422 -2.4422 -2.0946 -2.0946 4.5153 4.5153 4.5725 4.5725 5.8164 5.8164 5.8794 5.8794 6.1059 6.1059 6.4065 6.4065 7.5180 7.5180 7.5811 7.5811 7.7269 7.7269 7.8336 7.8336 8.0701 8.0701 8.1129 8.1129 8.7071 8.7071 8.8539 8.8539 9.2621 9.2621 9.3813 9.3813 12.2644 12.2644 12.8733 12.8733 13.7348 13.7348 13.9710 13.9710 k = 0.1037 0.4443 0.8838 ( 3426 PWs) bands (ev): -17.7863 -17.7863 -4.8044 -4.8044 -3.4450 -3.4450 -2.8673 -2.8673 -2.4562 -2.4562 -2.1159 -2.1159 4.5188 4.5188 4.5521 4.5521 5.7959 5.7959 5.8599 5.8599 6.1071 6.1071 6.4276 6.4276 7.5079 7.5079 7.5750 7.5750 7.7138 7.7138 7.8201 7.8201 8.0767 8.0767 8.1222 8.1222 8.6795 8.6795 8.8206 8.8206 9.2448 9.2448 9.3653 9.3653 12.3557 12.3557 12.8438 12.8438 13.7456 13.7456 14.0217 14.0217 k = 0.1098 0.4303 0.8990 ( 3430 PWs) bands (ev): -17.7837 -17.7837 -4.7971 -4.7971 -3.4375 -3.4375 -2.8553 -2.8553 -2.4703 -2.4703 -2.1381 -2.1381 4.5123 4.5123 4.5399 4.5399 5.7749 5.7749 5.8426 5.8426 6.1073 6.1073 6.4493 6.4493 7.4984 7.4984 7.5688 7.5688 7.7012 7.7012 7.8057 7.8057 8.0829 8.0829 8.1312 8.1312 8.6527 8.6527 8.7889 8.7889 9.2265 9.2265 9.3481 9.3481 12.4477 12.4477 12.8184 12.8184 13.7219 13.7219 14.0760 14.0760 k = 0.1159 0.4164 0.9143 ( 3438 PWs) bands (ev): -17.7810 -17.7810 -4.7899 -4.7899 -3.4291 -3.4291 -2.8431 -2.8431 -2.4844 -2.4844 -2.1610 -2.1610 4.4949 4.4949 4.5367 4.5367 5.7534 5.7534 5.8278 5.8278 6.1063 6.1063 6.4716 6.4716 7.4893 7.4893 7.5627 7.5627 7.6892 7.6892 7.7905 7.7905 8.0886 8.0886 8.1398 8.1398 8.6266 8.6266 8.7587 8.7587 9.2077 9.2077 9.3298 9.3298 12.5386 12.5386 12.7975 12.7975 13.6843 13.6843 14.1339 14.1339 k = 0.1220 0.4024 0.9295 ( 3442 PWs) bands (ev): -17.7783 -17.7783 -4.7830 -4.7830 -3.4199 -3.4199 -2.8306 -2.8306 -2.4984 -2.4984 -2.1846 -2.1846 4.4747 4.4747 4.5344 4.5344 5.7317 5.7317 5.8160 5.8160 6.1043 6.1043 6.4943 6.4943 7.4809 7.4809 7.5564 7.5564 7.6778 7.6778 7.7750 7.7750 8.0938 8.0938 8.1479 8.1479 8.6014 8.6014 8.7300 8.7300 9.1885 9.1885 9.3106 9.3106 12.6251 12.6251 12.7823 12.7823 13.6453 13.6453 14.1947 14.1947 k = 0.1280 0.3885 0.9448 ( 3444 PWs) bands (ev): -17.7756 -17.7756 -4.7764 -4.7764 -3.4096 -3.4096 -2.8181 -2.8181 -2.5122 -2.5122 -2.2089 -2.2089 4.4543 4.4543 4.5302 4.5302 5.7098 5.7098 5.8074 5.8074 6.1012 6.1012 6.5175 6.5175 7.4732 7.4732 7.5499 7.5499 7.6670 7.6670 7.7595 7.7595 8.0985 8.0985 8.1555 8.1555 8.5769 8.5769 8.7025 8.7025 9.1692 9.1692 9.2905 9.2905 12.6988 12.6988 12.7784 12.7784 13.6118 13.6118 14.2575 14.2575 k = 0.1341 0.3745 0.9600 ( 3438 PWs) bands (ev): -17.7729 -17.7729 -4.7702 -4.7702 -3.3984 -3.3984 -2.8054 -2.8054 -2.5260 -2.5260 -2.2337 -2.2337 4.4346 4.4346 4.5236 4.5236 5.6879 5.6879 5.8022 5.8022 6.0971 6.0971 6.5410 6.5410 7.4662 7.4662 7.5433 7.5433 7.6566 7.6566 7.7443 7.7443 8.1027 8.1027 8.1626 8.1626 8.5532 8.5532 8.6760 8.6760 9.1503 9.1503 9.2697 9.2697 12.7324 12.7324 12.8099 12.8099 13.5884 13.5884 14.3215 14.3215 k = 0.1402 0.3605 0.9752 ( 3438 PWs) bands (ev): -17.7702 -17.7702 -4.7644 -4.7644 -3.3860 -3.3860 -2.7928 -2.7928 -2.5397 -2.5397 -2.2589 -2.2589 4.4158 4.4158 4.5143 4.5143 5.6659 5.6659 5.8003 5.8003 6.0920 6.0920 6.5649 6.5649 7.4599 7.4599 7.5364 7.5364 7.6463 7.6463 7.7300 7.7300 8.1064 8.1064 8.1692 8.1692 8.5302 8.5302 8.6501 8.6501 9.1319 9.1319 9.2484 9.2484 12.7356 12.7356 12.8632 12.8632 13.5784 13.5784 14.3854 14.3854 k = 0.1463 0.3466 0.9905 ( 3436 PWs) bands (ev): -17.7675 -17.7675 -4.7591 -4.7591 -3.3724 -3.3724 -2.7803 -2.7803 -2.5533 -2.5533 -2.2843 -2.2843 4.3980 4.3980 4.5025 4.5025 5.6442 5.6442 5.8017 5.8017 6.0859 6.0859 6.5891 6.5891 7.4544 7.4544 7.5293 7.5293 7.6357 7.6357 7.7172 7.7172 8.1098 8.1098 8.1753 8.1753 8.5079 8.5079 8.6246 8.6246 9.1142 9.1142 9.2269 9.2269 12.7364 12.7364 12.9076 12.9076 13.5839 13.5839 14.4472 14.4472 k = 0.1524 0.3326 1.0057 ( 3434 PWs) bands (ev): -17.7649 -17.7649 -4.7543 -4.7543 -3.3576 -3.3576 -2.7680 -2.7680 -2.5671 -2.5671 -2.3097 -2.3097 4.3814 4.3814 4.4886 4.4886 5.6227 5.6227 5.8060 5.8060 6.0791 6.0791 6.6134 6.6134 7.4496 7.4496 7.5222 7.5222 7.6243 7.6243 7.7062 7.7062 8.1127 8.1127 8.1808 8.1808 8.4861 8.4861 8.5991 8.5991 9.0975 9.0975 9.2054 9.2054 12.7397 12.7397 12.9371 12.9371 13.6040 13.6040 14.5032 14.5032 k = 0.1585 0.3186 1.0209 ( 3436 PWs) bands (ev): -17.7624 -17.7624 -4.7500 -4.7500 -3.3415 -3.3415 -2.7560 -2.7560 -2.5812 -2.5812 -2.3350 -2.3350 4.3659 4.3659 4.4727 4.4727 5.6016 5.6016 5.8130 5.8130 6.0715 6.0715 6.6379 6.6379 7.4456 7.4456 7.5150 7.5150 7.6119 7.6119 7.6974 7.6974 8.1153 8.1153 8.1858 8.1858 8.4650 8.4650 8.5736 8.5736 9.0819 9.0819 9.1842 9.1842 12.7463 12.7463 12.9527 12.9527 13.6349 13.6349 14.5464 14.5464 k = 0.1646 0.3047 1.0362 ( 3436 PWs) bands (ev): -17.7600 -17.7600 -4.7462 -4.7462 -3.3242 -3.3242 -2.7442 -2.7442 -2.5957 -2.5957 -2.3598 -2.3598 4.3516 4.3516 4.4554 4.4554 5.5812 5.5812 5.8223 5.8223 6.0634 6.0634 6.6626 6.6626 7.4424 7.4424 7.5080 7.5080 7.5986 7.5986 7.6907 7.6907 8.1178 8.1178 8.1903 8.1903 8.4444 8.4444 8.5477 8.5477 9.0675 9.0675 9.1636 9.1636 12.7565 12.7565 12.9577 12.9577 13.6711 13.6711 14.5652 14.5652 k = 0.1707 0.2907 1.0514 ( 3442 PWs) bands (ev): -17.7576 -17.7576 -4.7429 -4.7429 -3.3055 -3.3055 -2.7329 -2.7329 -2.6110 -2.6110 -2.3837 -2.3837 4.3385 4.3385 4.4370 4.4370 5.5615 5.5615 5.8334 5.8334 6.0549 6.0549 6.6872 6.6872 7.4398 7.4398 7.5012 7.5012 7.5845 7.5845 7.6859 7.6859 8.1200 8.1200 8.1942 8.1942 8.4244 8.4244 8.5215 8.5215 9.0544 9.0544 9.1438 9.1438 12.7703 12.7703 12.9559 12.9559 13.7073 13.7073 14.5484 14.5484 k = 0.1768 0.2767 1.0667 ( 3436 PWs) bands (ev): -17.7554 -17.7554 -4.7401 -4.7401 -3.2854 -3.2854 -2.7221 -2.7221 -2.6274 -2.6274 -2.4064 -2.4064 4.3266 4.3266 4.4181 4.4181 5.5426 5.5426 5.8458 5.8458 6.0463 6.0463 6.7117 6.7117 7.4379 7.4379 7.4948 7.4948 7.5701 7.5701 7.6826 7.6826 8.1223 8.1223 8.1977 8.1977 8.4049 8.4049 8.4950 8.4950 9.0427 9.0427 9.1251 9.1251 12.7876 12.7876 12.9504 12.9504 13.7391 13.7391 14.4986 14.4986 k = 0.1829 0.2628 1.0819 ( 3440 PWs) bands (ev): -17.7533 -17.7533 -4.7377 -4.7377 -3.2641 -3.2641 -2.7120 -2.7120 -2.6450 -2.6450 -2.4275 -2.4275 4.3158 4.3158 4.3990 4.3990 5.5247 5.5247 5.8590 5.8590 6.0377 6.0377 6.7360 6.7360 7.4364 7.4364 7.4889 7.4889 7.5557 7.5557 7.6803 7.6803 8.1246 8.1246 8.2008 8.2008 8.3860 8.3860 8.4682 8.4682 9.0323 9.0323 9.1077 9.1077 12.8082 12.8082 12.9433 12.9433 13.7643 13.7643 14.4286 14.4286 k = 0.1890 0.2488 1.0971 ( 3440 PWs) bands (ev): -17.7513 -17.7513 -4.7358 -4.7358 -3.2415 -3.2415 -2.7028 -2.7028 -2.6641 -2.6641 -2.4467 -2.4467 4.3061 4.3061 4.3802 4.3802 5.5078 5.5078 5.8725 5.8725 6.0292 6.0292 6.7599 6.7599 7.4353 7.4353 7.4836 7.4836 7.5418 7.5418 7.6787 7.6787 8.1271 8.1271 8.2033 8.2033 8.3675 8.3675 8.4416 8.4416 9.0233 9.0233 9.0916 9.0916 12.8318 12.8318 12.9363 12.9363 13.7819 13.7819 14.3493 14.3493 k = 0.1951 0.2348 1.1124 ( 3436 PWs) bands (ev): -17.7495 -17.7495 -4.7343 -4.7343 -3.2178 -3.2178 -2.6970 -2.6970 -2.6823 -2.6823 -2.4637 -2.4637 4.2975 4.2975 4.3622 4.3622 5.4922 5.4922 5.8859 5.8859 6.0213 6.0213 6.7833 6.7833 7.4343 7.4343 7.4790 7.4790 7.5287 7.5287 7.6777 7.6777 8.1297 8.1297 8.2055 8.2055 8.3496 8.3496 8.4156 8.4156 9.0156 9.0156 9.0771 9.0771 12.8575 12.8575 12.9307 12.9307 13.7923 13.7923 14.2669 14.2669 k = 0.2012 0.2209 1.1276 ( 3440 PWs) bands (ev): -17.7478 -17.7478 -4.7332 -4.7332 -3.1928 -3.1928 -2.7117 -2.7117 -2.6826 -2.6826 -2.4783 -2.4783 4.2897 4.2897 4.3453 4.3453 5.4779 5.4779 5.8985 5.8985 6.0141 6.0141 6.8057 6.8057 7.4332 7.4332 7.4749 7.4749 7.5168 7.5168 7.6770 7.6770 8.1326 8.1326 8.2071 8.2071 8.3321 8.3321 8.3906 8.3906 9.0090 9.0090 9.0641 9.0641 12.8834 12.8834 12.9285 12.9285 13.7964 13.7964 14.1848 14.1848 k = 0.2073 0.2069 1.1428 ( 3444 PWs) bands (ev): -17.7463 -17.7463 -4.7323 -4.7323 -3.1669 -3.1669 -2.7359 -2.7359 -2.6760 -2.6760 -2.4907 -2.4907 4.2827 4.2827 4.3300 4.3300 5.4651 5.4651 5.9099 5.9099 6.0078 6.0078 6.8270 6.8270 7.4318 7.4318 7.4712 7.4712 7.5068 7.5068 7.6765 7.6765 8.1358 8.1358 8.2080 8.2080 8.3152 8.3152 8.3673 8.3673 9.0037 9.0037 9.0527 9.0527 12.9012 12.9012 12.9376 12.9376 13.7957 13.7957 14.1050 14.1050 k = 0.2134 0.1929 1.1581 ( 3450 PWs) bands (ev): -17.7450 -17.7450 -4.7317 -4.7317 -3.1401 -3.1401 -2.7622 -2.7622 -2.6697 -2.6697 -2.5009 -2.5009 4.2764 4.2764 4.3165 4.3165 5.4537 5.4537 5.9197 5.9197 6.0029 6.0029 6.8468 6.8468 7.4300 7.4300 7.4674 7.4674 7.4993 7.4993 7.6759 7.6759 8.1393 8.1393 8.2082 8.2082 8.2993 8.2993 8.3464 8.3464 8.9993 8.9993 9.0427 9.0427 12.9051 12.9051 12.9630 12.9630 13.7917 13.7917 14.0293 14.0293 k = 0.2195 0.1790 1.1733 ( 3454 PWs) bands (ev): -17.7439 -17.7439 -4.7312 -4.7312 -3.1127 -3.1127 -2.7897 -2.7897 -2.6642 -2.6642 -2.5091 -2.5091 4.2706 4.2706 4.3053 4.3053 5.4439 5.4439 5.9274 5.9274 5.9995 5.9995 6.8646 6.8646 7.4277 7.4277 7.4632 7.4632 7.4946 7.4946 7.6754 7.6754 8.1430 8.1430 8.2072 8.2072 8.2850 8.2850 8.3281 8.3281 8.9960 8.9960 9.0343 9.0343 12.9048 12.9048 12.9943 12.9943 13.7856 13.7856 13.9593 13.9593 k = 0.2256 0.1650 1.1886 ( 3460 PWs) bands (ev): -17.7429 -17.7429 -4.7309 -4.7309 -3.0849 -3.0849 -2.8179 -2.8179 -2.6595 -2.6595 -2.5155 -2.5155 4.2653 4.2653 4.2964 4.2964 5.4358 5.4358 5.9328 5.9328 5.9977 5.9977 6.8801 6.8801 7.4251 7.4251 7.4589 7.4589 7.4924 7.4924 7.6750 7.6750 8.1470 8.1470 8.2046 8.2046 8.2735 8.2735 8.3126 8.3126 8.9935 8.9935 9.0273 9.0273 12.9039 12.9039 13.0259 13.0259 13.7788 13.7788 13.8967 13.8967 k = 0.2317 0.1511 1.2038 ( 3460 PWs) bands (ev): -17.7422 -17.7422 -4.7307 -4.7307 -3.0573 -3.0573 -2.8459 -2.8459 -2.6559 -2.6559 -2.5203 -2.5203 4.2607 4.2607 4.2900 4.2900 5.4295 5.4295 5.9363 5.9363 5.9972 5.9972 6.8927 6.8927 7.4225 7.4225 7.4551 7.4551 7.4919 7.4919 7.6745 7.6745 8.1510 8.1510 8.2004 8.2004 8.2656 8.2656 8.2999 8.2999 8.9918 8.9918 9.0217 9.0217 12.9033 12.9033 13.0550 13.0550 13.7720 13.7720 13.8439 13.8439 k = 0.2378 0.1371 1.2190 ( 3468 PWs) bands (ev): -17.7417 -17.7417 -4.7306 -4.7306 -3.0313 -3.0313 -2.8724 -2.8724 -2.6532 -2.6532 -2.5236 -2.5236 4.2570 4.2570 4.2856 4.2856 5.4249 5.4249 5.9381 5.9381 5.9975 5.9975 6.9021 6.9021 7.4201 7.4201 7.4522 7.4522 7.4920 7.4920 7.6741 7.6741 8.1549 8.1549 8.1952 8.1952 8.2613 8.2613 8.2900 8.2900 8.9907 8.9907 9.0177 9.0177 12.9029 12.9029 13.0790 13.0790 13.7654 13.7654 13.8040 13.8040 k = 0.2439 0.1231 1.2343 ( 3464 PWs) bands (ev): -17.7414 -17.7414 -4.7306 -4.7306 -3.0098 -3.0098 -2.8943 -2.8943 -2.6516 -2.6516 -2.5256 -2.5256 4.2546 4.2546 4.2832 4.2832 5.4221 5.4221 5.9390 5.9390 5.9980 5.9980 6.9079 6.9079 7.4185 7.4185 7.4505 7.4505 7.4924 7.4924 7.6739 7.6739 8.1581 8.1581 8.1907 8.1907 8.2599 8.2599 8.2835 8.2835 8.9902 8.9902 9.0153 9.0153 12.9027 12.9027 13.0951 13.0951 13.7584 13.7584 13.7813 13.7813 k = 0.2500 0.1092 1.2495 ( 3472 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9037 -2.9037 -2.6511 -2.6511 -2.5262 -2.5262 4.2538 4.2538 4.2824 4.2824 5.4212 5.4212 5.9392 5.9392 5.9982 5.9982 6.9098 6.9098 7.4179 7.4179 7.4499 7.4499 7.4925 7.4925 7.6737 7.6737 8.1593 8.1593 8.1888 8.1888 8.2597 8.2597 8.2810 8.2810 8.9900 8.9900 9.0144 9.0144 12.9027 12.9027 13.1007 13.1007 13.7542 13.7542 13.7753 13.7753 k = 0.2500 0.1092 1.2495 ( 3472 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9037 -2.9037 -2.6511 -2.6511 -2.5262 -2.5262 4.2538 4.2538 4.2824 4.2824 5.4212 5.4212 5.9392 5.9392 5.9982 5.9982 6.9098 6.9098 7.4179 7.4179 7.4499 7.4499 7.4925 7.4925 7.6737 7.6737 8.1593 8.1593 8.1888 8.1888 8.2597 8.2597 8.2810 8.2810 8.9900 8.9900 9.0144 9.0144 12.9027 12.9027 13.1007 13.1007 13.7542 13.7542 13.7753 13.7753 k = 0.2679 0.1170 1.2410 ( 3466 PWs) bands (ev): -17.7413 -17.7413 -4.7305 -4.7305 -3.0020 -3.0020 -2.9021 -2.9021 -2.6513 -2.6513 -2.5260 -2.5260 4.2413 4.2413 4.2960 4.2960 5.4212 5.4212 5.9236 5.9236 6.0130 6.0130 6.9096 6.9096 7.4172 7.4172 7.4508 7.4508 7.4924 7.4924 7.6741 7.6741 8.1573 8.1573 8.1906 8.1906 8.2594 8.2594 8.2823 8.2823 8.9895 8.9895 9.0150 9.0150 12.8631 12.8631 13.1446 13.1446 13.7192 13.7192 13.8136 13.8136 k = 0.2857 0.1248 1.2325 ( 3472 PWs) bands (ev): -17.7413 -17.7413 -4.7305 -4.7305 -3.0064 -3.0064 -2.8975 -2.8975 -2.6521 -2.6521 -2.5254 -2.5254 4.2218 4.2218 4.3190 4.3190 5.4213 5.4213 5.8941 5.8941 6.0399 6.0399 6.9089 6.9089 7.4152 7.4152 7.4532 7.4532 7.4919 7.4919 7.6751 7.6751 8.1520 8.1520 8.1950 8.1950 8.2588 8.2588 8.2858 8.2858 8.9880 8.9880 9.0163 9.0163 12.7876 12.7876 13.2329 13.2329 13.6807 13.6807 13.8620 13.8620 k = 0.3036 0.1326 1.2240 ( 3463 PWs) bands (ev): -17.7414 -17.7414 -4.7306 -4.7306 -3.0129 -3.0129 -2.8907 -2.8907 -2.6533 -2.6533 -2.5243 -2.5243 4.2028 4.2028 4.3439 4.3439 5.4215 5.4215 5.8617 5.8617 6.0679 6.0679 6.9074 6.9074 7.4127 7.4127 7.4567 7.4567 7.4913 7.4913 7.6768 7.6768 8.1452 8.1452 8.2005 8.2005 8.2582 8.2582 8.2909 8.2909 8.9862 8.9862 9.0183 9.0183 12.7078 12.7078 13.3336 13.3336 13.6483 13.6483 13.9117 13.9117 k = 0.3214 0.1403 1.2155 ( 3461 PWs) bands (ev): -17.7415 -17.7415 -4.7306 -4.7306 -3.0208 -3.0208 -2.8823 -2.8823 -2.6552 -2.6552 -2.5227 -2.5227 4.1854 4.1854 4.3695 4.3695 5.4217 5.4217 5.8288 5.8288 6.0948 6.0948 6.9051 6.9051 7.4102 7.4102 7.4607 7.4607 7.4906 7.4906 7.6788 7.6788 8.1378 8.1378 8.2058 8.2058 8.2579 8.2579 8.2970 8.2970 8.9842 8.9842 9.0205 9.0205 12.6317 12.6317 13.4339 13.4339 13.6276 13.6276 13.9618 13.9618 k = 0.3393 0.1481 1.2070 ( 3457 PWs) bands (ev): -17.7417 -17.7417 -4.7306 -4.7306 -3.0297 -3.0297 -2.8728 -2.8728 -2.6576 -2.6576 -2.5207 -2.5207 4.1701 4.1701 4.3954 4.3954 5.4219 5.4219 5.7964 5.7964 6.1198 6.1198 6.9019 6.9019 7.4081 7.4081 7.4647 7.4647 7.4900 7.4900 7.6810 7.6810 8.1304 8.1304 8.2107 8.2107 8.2578 8.2578 8.3040 8.3040 8.9823 8.9823 9.0227 9.0227 12.5621 12.5621 13.5065 13.5065 13.6434 13.6434 14.0119 14.0119 k = 0.3571 0.1559 1.1985 ( 3453 PWs) bands (ev): -17.7418 -17.7418 -4.7306 -4.7306 -3.0391 -3.0391 -2.8626 -2.8626 -2.6605 -2.6605 -2.5182 -2.5182 4.1571 4.1571 4.4209 4.4209 5.4223 5.4223 5.7653 5.7653 6.1423 6.1423 6.8975 6.8975 7.4066 7.4066 7.4685 7.4685 7.4896 7.4896 7.6833 7.6833 8.1234 8.1234 8.2150 8.2150 8.2581 8.2581 8.3112 8.3112 8.9806 8.9806 9.0248 9.0248 12.5004 12.5004 13.5195 13.5195 13.7264 13.7264 14.0614 14.0614 k = 0.3750 0.1637 1.1900 ( 3453 PWs) bands (ev): -17.7421 -17.7421 -4.7306 -4.7306 -3.0488 -3.0488 -2.8520 -2.8520 -2.6639 -2.6639 -2.5154 -2.5154 4.1465 4.1465 4.4458 4.4458 5.4228 5.4228 5.7360 5.7360 6.1621 6.1621 6.8918 6.8918 7.4058 7.4058 7.4718 7.4718 7.4897 7.4897 7.6854 7.6854 8.1169 8.1169 8.2185 8.2185 8.2586 8.2586 8.3185 8.3185 8.9792 8.9792 9.0267 9.0267 12.4474 12.4474 13.5098 13.5098 13.8384 13.8384 14.1100 14.1100 k = 0.3929 0.1715 1.1814 ( 3447 PWs) bands (ev): -17.7423 -17.7423 -4.7307 -4.7307 -3.0587 -3.0587 -2.8411 -2.8411 -2.6678 -2.6678 -2.5123 -2.5123 4.1385 4.1385 4.4695 4.4695 5.4235 5.4235 5.7091 5.7091 6.1791 6.1791 6.8849 6.8849 7.4060 7.4060 7.4742 7.4742 7.4907 7.4907 7.6871 7.6871 8.1111 8.1111 8.2213 8.2213 8.2597 8.2597 8.3254 8.3254 8.9783 8.9783 9.0285 9.0285 12.4037 12.4037 13.4982 13.4982 13.9564 13.9564 14.1581 14.1581 k = 0.4107 0.1793 1.1729 ( 3442 PWs) bands (ev): -17.7426 -17.7426 -4.7307 -4.7307 -3.0687 -3.0687 -2.8302 -2.8302 -2.6719 -2.6719 -2.5088 -2.5088 4.1332 4.1332 4.4915 4.4915 5.4244 5.4244 5.6853 5.6853 6.1931 6.1931 6.8767 6.8767 7.4069 7.4069 7.4757 7.4757 7.4926 7.4926 7.6883 7.6883 8.1061 8.1061 8.2236 8.2236 8.2610 8.2610 8.3317 8.3317 8.9779 8.9779 9.0301 9.0301 12.3695 12.3695 13.4892 13.4892 14.0701 14.0701 14.2098 14.2098 k = 0.4286 0.1871 1.1644 ( 3446 PWs) bands (ev): -17.7429 -17.7429 -4.7307 -4.7307 -3.0787 -3.0787 -2.8192 -2.8192 -2.6761 -2.6761 -2.5051 -2.5051 4.1304 4.1304 4.5112 4.5112 5.4256 5.4256 5.6650 5.6650 6.2038 6.2038 6.8673 6.8673 7.4086 7.4086 7.4765 7.4765 7.4952 7.4952 7.6889 7.6889 8.1018 8.1018 8.2253 8.2253 8.2627 8.2627 8.3372 8.3372 8.9781 8.9781 9.0314 9.0314 12.3449 12.3449 13.4841 13.4841 14.1602 14.1602 14.2807 14.2807 k = 0.4464 0.1949 1.1559 ( 3444 PWs) bands (ev): -17.7432 -17.7432 -4.7307 -4.7307 -3.0887 -3.0887 -2.8084 -2.8084 -2.6805 -2.6805 -2.5011 -2.5011 4.1302 4.1302 4.5282 4.5282 5.4271 5.4271 5.6489 5.6489 6.2113 6.2113 6.8569 6.8569 7.4109 7.4109 7.4771 7.4771 7.4980 7.4980 7.6889 7.6889 8.0982 8.0982 8.2267 8.2267 8.2649 8.2649 8.3418 8.3418 8.9790 8.9790 9.0326 9.0326 12.3296 12.3296 13.4836 13.4836 14.2111 14.2111 14.3831 14.3831 k = 0.4643 0.2027 1.1474 ( 3443 PWs) bands (ev): -17.7436 -17.7436 -4.7308 -4.7308 -3.0986 -3.0986 -2.7980 -2.7980 -2.6847 -2.6847 -2.4969 -2.4969 4.1326 4.1326 4.5421 4.5421 5.4290 5.4290 5.6374 5.6374 6.2154 6.2154 6.8455 6.8455 7.4137 7.4137 7.4777 7.4777 7.5009 7.5009 7.6883 7.6883 8.0955 8.0955 8.2276 8.2276 8.2675 8.2675 8.3455 8.3455 8.9807 8.9807 9.0335 9.0335 12.3234 12.3234 13.4879 13.4879 14.2374 14.2374 14.4980 14.4980 k = 0.4821 0.2105 1.1389 ( 3445 PWs) bands (ev): -17.7440 -17.7440 -4.7308 -4.7308 -3.1086 -3.1086 -2.7880 -2.7880 -2.6886 -2.6886 -2.4925 -2.4925 4.1374 4.1374 4.5524 4.5524 5.4312 5.4312 5.6309 5.6309 6.2160 6.2160 6.8335 6.8335 7.4168 7.4168 7.4785 7.4785 7.5038 7.5038 7.6871 7.6871 8.0934 8.0934 8.2283 8.2283 8.2706 8.2706 8.3484 8.3484 8.9829 8.9829 9.0344 9.0344 12.3256 12.3256 13.4971 13.4971 14.2490 14.2490 14.6060 14.6060 k = 0.5000 0.2183 1.1304 ( 3446 PWs) bands (ev): -17.7444 -17.7444 -4.7308 -4.7308 -3.1185 -3.1185 -2.7788 -2.7788 -2.6919 -2.6919 -2.4879 -2.4879 4.1445 4.1445 4.5590 4.5590 5.4339 5.4339 5.6296 5.6296 6.2129 6.2129 6.8212 6.8212 7.4200 7.4200 7.4798 7.4798 7.5064 7.5064 7.6853 7.6853 8.0920 8.0920 8.2288 8.2288 8.2743 8.2743 8.3507 8.3507 8.9859 8.9859 9.0352 9.0352 12.3356 12.3356 13.5110 13.5110 14.2486 14.2486 14.6666 14.6666 k = 0.5000 0.2183 1.1304 ( 3446 PWs) bands (ev): -17.7444 -17.7444 -4.7308 -4.7308 -3.1185 -3.1185 -2.7788 -2.7788 -2.6919 -2.6919 -2.4879 -2.4879 4.1445 4.1445 4.5590 4.5590 5.4339 5.4339 5.6296 5.6296 6.2129 6.2129 6.8212 6.8212 7.4200 7.4200 7.4798 7.4798 7.5064 7.5064 7.6853 7.6853 8.0920 8.0920 8.2288 8.2288 8.2743 8.2743 8.3507 8.3507 8.9859 8.9859 9.0352 9.0352 12.3356 12.3356 13.5110 13.5110 14.2486 14.2486 14.6666 14.6666 k = 0.5000 0.2183 1.1087 ( 3442 PWs) bands (ev): -17.7457 -17.7457 -4.7309 -4.7309 -3.1434 -3.1434 -2.7617 -2.7617 -2.6959 -2.6959 -2.4744 -2.4744 4.1669 4.1669 4.5719 4.5719 5.4419 5.4419 5.6332 5.6332 6.1995 6.1995 6.7877 6.7877 7.4266 7.4266 7.4855 7.4855 7.5136 7.5136 7.6800 7.6800 8.0894 8.0894 8.2296 8.2296 8.2856 8.2856 8.3567 8.3567 8.9946 8.9946 9.0377 9.0377 12.3726 12.3726 13.5554 13.5554 14.2318 14.2318 14.6854 14.6854 k = 0.5000 0.2183 1.0869 ( 3450 PWs) bands (ev): -17.7472 -17.7472 -4.7309 -4.7309 -3.1673 -3.1673 -2.7599 -2.7599 -2.6879 -2.6879 -2.4581 -2.4581 4.1925 4.1925 4.5870 4.5870 5.4510 5.4510 5.6375 5.6375 6.1841 6.1841 6.7514 6.7514 7.4300 7.4300 7.4944 7.4944 7.5220 7.5220 7.6743 7.6743 8.0870 8.0870 8.2298 8.2298 8.2987 8.2987 8.3640 8.3640 9.0031 9.0031 9.0418 9.0418 12.4134 12.4134 13.6059 13.6059 14.2122 14.2122 14.7083 14.7083 k = 0.5000 0.2183 1.0652 ( 3450 PWs) bands (ev): -17.7488 -17.7488 -4.7309 -4.7309 -3.1901 -3.1901 -2.7717 -2.7717 -2.6700 -2.6700 -2.4389 -2.4389 4.2210 4.2210 4.6042 4.6042 5.4612 5.4612 5.6423 5.6423 6.1669 6.1669 6.7127 6.7127 7.4308 7.4308 7.5055 7.5055 7.5317 7.5317 7.6686 7.6686 8.0850 8.0850 8.2296 8.2296 8.3135 8.3135 8.3728 8.3728 9.0106 9.0106 9.0485 9.0485 12.4570 12.4570 13.6618 13.6618 14.1897 14.1897 14.7352 14.7352 k = 0.5000 0.2183 1.0434 ( 3452 PWs) bands (ev): -17.7507 -17.7507 -4.7309 -4.7309 -3.2117 -3.2117 -2.7903 -2.7903 -2.6489 -2.6489 -2.4168 -2.4168 4.2521 4.2521 4.6234 4.6234 5.4723 5.4723 5.6476 5.6476 6.1481 6.1481 6.6722 6.6722 7.4301 7.4301 7.5173 7.5173 7.5425 7.5425 7.6636 7.6636 8.0833 8.0833 8.2291 8.2291 8.3297 8.3297 8.3833 8.3833 9.0161 9.0161 9.0585 9.0585 12.5021 12.5021 13.7223 13.7223 14.1645 14.1645 14.7641 14.7641 k = 0.5000 0.2183 1.0217 ( 3442 PWs) bands (ev): -17.7527 -17.7527 -4.7307 -4.7307 -3.2320 -3.2320 -2.8124 -2.8124 -2.6277 -2.6277 -2.3922 -2.3922 4.2855 4.2855 4.6447 4.6447 5.4842 5.4842 5.6533 5.6533 6.1279 6.1279 6.6305 6.6305 7.4289 7.4289 7.5288 7.5288 7.5539 7.5539 7.6600 7.6600 8.0822 8.0822 8.2285 8.2285 8.3472 8.3472 8.3955 8.3955 9.0199 9.0199 9.0717 9.0717 12.5470 12.5470 13.7864 13.7864 14.1366 14.1366 14.7607 14.7607 k = 0.5000 0.2183 1.0000 ( 3448 PWs) bands (ev): -17.7550 -17.7550 -4.7305 -4.7305 -3.2512 -3.2512 -2.8368 -2.8368 -2.6072 -2.6072 -2.3653 -2.3653 4.3209 4.3209 4.6680 4.6680 5.4966 5.4966 5.6595 5.6595 6.1066 6.1066 6.5879 6.5879 7.4274 7.4274 7.5392 7.5392 7.5645 7.5645 7.6594 7.6594 8.0814 8.0814 8.2276 8.2276 8.3659 8.3659 8.4095 8.4095 9.0223 9.0223 9.0874 9.0874 12.5899 12.5899 13.8530 13.8530 14.1064 14.1064 14.7329 14.7329 k = 0.5000 0.2183 0.9782 ( 3450 PWs) bands (ev): -17.7574 -17.7574 -4.7301 -4.7301 -3.2692 -3.2692 -2.8629 -2.8629 -2.5874 -2.5874 -2.3367 -2.3367 4.3579 4.3579 4.6933 4.6933 5.5094 5.5094 5.6660 5.6660 6.0845 6.0845 6.5449 6.5449 7.4262 7.4262 7.5477 7.5477 7.5734 7.5734 7.6632 7.6632 8.0811 8.0811 8.2268 8.2268 8.3857 8.3857 8.4253 8.4253 9.0241 9.0241 9.1051 9.1051 12.6288 12.6288 13.9198 13.9198 14.0750 14.0750 14.7051 14.7051 k = 0.5000 0.2183 0.9565 ( 3450 PWs) bands (ev): -17.7600 -17.7600 -4.7296 -4.7296 -3.2861 -3.2861 -2.8902 -2.8902 -2.5685 -2.5685 -2.3067 -2.3067 4.3961 4.3961 4.7205 4.7205 5.5222 5.5222 5.6729 5.6729 6.0620 6.0620 6.5020 6.5020 7.4255 7.4255 7.5521 7.5521 7.5822 7.5822 7.6722 7.6722 8.0814 8.0814 8.2259 8.2259 8.4068 8.4068 8.4430 8.4430 9.0255 9.0255 9.1244 9.1244 12.6614 12.6614 13.9785 13.9785 14.0496 14.0496 14.6811 14.6811 k = 0.5000 0.2183 0.9348 ( 3454 PWs) bands (ev): -17.7627 -17.7627 -4.7289 -4.7289 -3.3020 -3.3020 -2.9183 -2.9183 -2.5500 -2.5500 -2.2759 -2.2759 4.4351 4.4351 4.7496 4.7496 5.5348 5.5348 5.6801 5.6801 6.0395 6.0395 6.4595 6.4595 7.4254 7.4254 7.5509 7.5509 7.5928 7.5928 7.6856 7.6856 8.0822 8.0822 8.2250 8.2250 8.4290 8.4290 8.4624 8.4624 9.0267 9.0267 9.1452 9.1452 12.6856 12.6856 13.9809 13.9809 14.0772 14.0772 14.6635 14.6635 k = 0.5000 0.2183 0.9130 ( 3448 PWs) bands (ev): -17.7656 -17.7656 -4.7281 -4.7281 -3.3171 -3.3171 -2.9468 -2.9468 -2.5319 -2.5319 -2.2447 -2.2447 4.4746 4.4746 4.7806 4.7806 5.5467 5.5467 5.6876 5.6876 6.0177 6.0177 6.4178 6.4178 7.4262 7.4262 7.5453 7.5453 7.6053 7.6053 7.7022 7.7022 8.0837 8.0837 8.2242 8.2242 8.4524 8.4524 8.4836 8.4836 9.0277 9.0277 9.1675 9.1675 12.6994 12.6994 13.9443 13.9443 14.1397 14.1397 14.6549 14.6549 k = 0.5000 0.2183 0.8913 ( 3436 PWs) bands (ev): -17.7686 -17.7686 -4.7270 -4.7270 -3.3316 -3.3316 -2.9753 -2.9753 -2.5140 -2.5140 -2.2135 -2.2135 4.5141 4.5141 4.8133 4.8133 5.5573 5.5573 5.6953 5.6953 5.9972 5.9972 6.3772 6.3772 7.4278 7.4278 7.5370 7.5370 7.6192 7.6192 7.7209 7.7209 8.0857 8.0857 8.2235 8.2235 8.4769 8.4769 8.5063 8.5063 9.0288 9.0288 9.1911 9.1911 12.7013 12.7013 13.9000 13.9000 14.2045 14.2045 14.6575 14.6575 k = 0.5000 0.2183 0.8695 ( 3448 PWs) bands (ev): -17.7718 -17.7718 -4.7257 -4.7257 -3.3457 -3.3457 -3.0034 -3.0034 -2.4962 -2.4962 -2.1826 -2.1826 4.5532 4.5532 4.8478 4.8478 5.5660 5.5660 5.7031 5.7031 5.9786 5.9786 6.3381 6.3381 7.4300 7.4300 7.5272 7.5272 7.6341 7.6341 7.7408 7.7408 8.0882 8.0882 8.2229 8.2229 8.5025 8.5025 8.5305 8.5305 9.0296 9.0296 9.2162 9.2162 12.6908 12.6908 13.8510 13.8510 14.2680 14.2680 14.6722 14.6722 k = 0.5000 0.2183 0.8478 ( 3448 PWs) bands (ev): -17.7751 -17.7751 -4.7241 -4.7241 -3.3597 -3.3597 -3.0306 -3.0306 -2.4784 -2.4784 -2.1523 -2.1523 4.5915 4.5915 4.8840 4.8840 5.5721 5.5721 5.7110 5.7110 5.9629 5.9629 6.3007 6.3007 7.4330 7.4330 7.5169 7.5169 7.6498 7.6498 7.7614 7.7614 8.0913 8.0913 8.2225 8.2225 8.5293 8.5293 8.5562 8.5562 9.0304 9.0304 9.2427 9.2427 12.6679 12.6679 13.7977 13.7977 14.3291 14.3291 14.6992 14.6992 k = 0.5000 0.2183 0.8261 ( 3448 PWs) bands (ev): -17.7786 -17.7786 -4.7223 -4.7223 -3.3740 -3.3740 -3.0565 -3.0565 -2.4605 -2.4605 -2.1229 -2.1229 4.6286 4.6286 4.9218 4.9218 5.5750 5.5750 5.7190 5.7190 5.9509 5.9509 6.2654 6.2654 7.4360 7.4360 7.5069 7.5069 7.6662 7.6662 7.7826 7.7826 8.0951 8.0951 8.2225 8.2225 8.5570 8.5570 8.5830 8.5830 9.0312 9.0312 9.2707 9.2707 12.6339 12.6339 13.7398 13.7398 14.3877 14.3877 14.7363 14.7363 k = 0.5000 0.2183 0.8043 ( 3444 PWs) bands (ev): -17.7821 -17.7821 -4.7202 -4.7202 -3.3888 -3.3888 -3.0805 -3.0805 -2.4425 -2.4425 -2.0946 -2.0946 4.6641 4.6641 4.9611 4.9611 5.5739 5.5739 5.7270 5.7270 5.9432 5.9432 6.2324 6.2324 7.4380 7.4380 7.4986 7.4986 7.6833 7.6833 7.8039 7.8039 8.0995 8.0995 8.2227 8.2227 8.5857 8.5857 8.6111 8.6111 9.0321 9.0321 9.3002 9.3002 12.5904 12.5904 13.6769 13.6769 14.4431 14.4431 14.7043 14.7043 k = 0.5000 0.2183 0.7826 ( 3436 PWs) bands (ev): -17.7857 -17.7857 -4.7179 -4.7179 -3.4046 -3.4046 -3.1021 -3.1021 -2.4244 -2.4244 -2.0675 -2.0675 4.6977 4.6977 5.0020 5.0020 5.5687 5.5687 5.7350 5.7350 5.9402 5.9402 6.2020 6.2020 7.4371 7.4371 7.4944 7.4944 7.7008 7.7008 7.8253 7.8253 8.1043 8.1043 8.2234 8.2234 8.6151 8.6151 8.6402 8.6402 9.0329 9.0329 9.3313 9.3313 12.5396 12.5396 13.6089 13.6089 14.4904 14.4904 14.5798 14.5798 k = 0.5000 0.2183 0.7608 ( 3436 PWs) bands (ev): -17.7895 -17.7895 -4.7153 -4.7153 -3.4216 -3.4216 -3.1211 -3.1211 -2.4061 -2.4061 -2.0418 -2.0418 4.7290 4.7290 5.0442 5.0442 5.5594 5.5594 5.7429 5.7429 5.9420 5.9420 6.1743 6.1743 7.4315 7.4315 7.4959 7.4959 7.7187 7.7187 7.8466 7.8466 8.1097 8.1097 8.2245 8.2245 8.6448 8.6448 8.6703 8.6703 9.0338 9.0338 9.3639 9.3639 12.4837 12.4837 13.5353 13.5353 14.4293 14.4293 14.5604 14.5604 k = 0.5000 0.2183 0.7391 ( 3432 PWs) bands (ev): -17.7933 -17.7933 -4.7125 -4.7125 -3.4399 -3.4399 -3.1371 -3.1371 -2.3878 -2.3878 -2.0177 -2.0177 4.7579 4.7579 5.0878 5.0878 5.5464 5.5464 5.7507 5.7507 5.9482 5.9482 6.1494 6.1494 7.4218 7.4218 7.5026 7.5026 7.7370 7.7370 7.8677 7.8677 8.1156 8.1156 8.2263 8.2263 8.6747 8.6747 8.7015 8.7015 9.0347 9.0347 9.3980 9.3980 12.4248 12.4248 13.4561 13.4561 14.3014 14.3014 14.6074 14.6074 k = 0.5000 0.2183 0.7174 ( 3432 PWs) bands (ev): -17.7972 -17.7972 -4.7095 -4.7095 -3.4595 -3.4595 -3.1499 -3.1499 -2.3694 -2.3694 -1.9953 -1.9953 4.7841 4.7841 5.1327 5.1327 5.5303 5.5303 5.7584 5.7584 5.9581 5.9581 6.1275 6.1275 7.4095 7.4095 7.5131 7.5131 7.7553 7.7553 7.8885 7.8885 8.1219 8.1219 8.2288 8.2288 8.7040 8.7040 8.7338 8.7338 9.0357 9.0357 9.4334 9.4334 12.3651 12.3651 13.3712 13.3712 14.1732 14.1732 14.6554 14.6554 k = 0.5000 0.2183 0.6956 ( 3428 PWs) bands (ev): -17.8011 -17.8011 -4.7063 -4.7063 -3.4803 -3.4803 -3.1598 -3.1598 -2.3510 -2.3510 -1.9747 -1.9747 4.8074 4.8074 5.1788 5.1788 5.5121 5.5121 5.7659 5.7659 5.9712 5.9712 6.1085 6.1085 7.3957 7.3957 7.5265 7.5265 7.7738 7.7738 7.9089 7.9089 8.1285 8.1285 8.2321 8.2321 8.7324 8.7324 8.7674 8.7674 9.0367 9.0367 9.4701 9.4701 12.3063 12.3063 13.2807 13.2807 14.0478 14.0478 14.6979 14.6979 k = 0.5000 0.2183 0.6739 ( 3422 PWs) bands (ev): -17.8051 -17.8051 -4.7029 -4.7029 -3.5020 -3.5020 -3.1667 -3.1667 -2.3326 -2.3326 -1.9560 -1.9560 4.8280 4.8280 5.2260 5.2260 5.4922 5.4922 5.7732 5.7732 5.9866 5.9866 6.0924 6.0924 7.3812 7.3812 7.5419 7.5419 7.7922 7.7922 7.9290 7.9290 8.1356 8.1356 8.2363 8.2363 8.7591 8.7591 8.8023 8.8023 9.0378 9.0378 9.5080 9.5080 12.2502 12.2502 13.1849 13.1849 13.9261 13.9261 14.6611 14.6611 k = 0.5000 0.2183 0.6522 ( 3422 PWs) bands (ev): -17.8091 -17.8091 -4.6995 -4.6995 -3.5242 -3.5242 -3.1710 -3.1710 -2.3143 -2.3143 -1.9392 -1.9392 4.8457 4.8457 5.2742 5.2742 5.4716 5.4716 5.7802 5.7802 6.0038 6.0038 6.0792 6.0792 7.3660 7.3660 7.5594 7.5594 7.8102 7.8102 7.9486 7.9486 8.1430 8.1430 8.2415 8.2415 8.7837 8.7837 8.8386 8.8386 9.0390 9.0390 9.5466 9.5466 12.1981 12.1981 13.0843 13.0843 13.8090 13.8090 14.5942 14.5942 k = 0.5000 0.2183 0.6304 ( 3426 PWs) bands (ev): -17.8131 -17.8131 -4.6961 -4.6961 -3.5465 -3.5465 -3.1730 -3.1730 -2.2962 -2.2962 -1.9243 -1.9243 4.8608 4.8608 5.3229 5.3229 5.4507 5.4507 5.7869 5.7869 6.0218 6.0218 6.0690 6.0690 7.3506 7.3506 7.5785 7.5785 7.8278 7.8278 7.9677 7.9677 8.1506 8.1506 8.2477 8.2477 8.8058 8.8058 8.8760 8.8760 9.0401 9.0401 9.5859 9.5859 12.1515 12.1515 12.9796 12.9796 13.6971 13.6971 14.5340 14.5340 k = 0.5000 0.2183 0.6087 ( 3434 PWs) bands (ev): -17.8172 -17.8172 -4.6928 -4.6928 -3.5685 -3.5685 -3.1731 -3.1731 -2.2783 -2.2783 -1.9114 -1.9114 4.8734 4.8734 5.3710 5.3710 5.4313 5.4313 5.7933 5.7933 6.0383 6.0383 6.0636 6.0636 7.3350 7.3350 7.5991 7.5991 7.8447 7.8447 7.9864 7.9864 8.1585 8.1585 8.2550 8.2550 8.8249 8.8249 8.9147 8.9147 9.0412 9.0412 9.6254 9.6254 12.1114 12.1114 12.8714 12.8714 13.5908 13.5908 14.4813 14.4813 k = 0.5000 0.2183 0.5869 ( 3436 PWs) bands (ev): -17.8212 -17.8212 -4.6896 -4.6896 -3.5898 -3.5898 -3.1714 -3.1714 -2.2607 -2.2607 -1.9004 -1.9004 4.8839 4.8839 5.3976 5.3976 5.4342 5.4342 5.7995 5.7995 6.0441 6.0441 6.0716 6.0716 7.3194 7.3194 7.6212 7.6212 7.8607 7.8607 8.0047 8.0047 8.1669 8.1669 8.2633 8.2633 8.8409 8.8409 8.9544 8.9544 9.0421 9.0421 9.6648 9.6648 12.0788 12.0788 12.7606 12.7606 13.4907 13.4907 14.4358 14.4358 k = 0.5000 0.2183 0.5652 ( 3428 PWs) bands (ev): -17.8253 -17.8253 -4.6866 -4.6866 -3.6101 -3.6101 -3.1684 -3.1684 -2.2435 -2.2435 -1.8914 -1.8914 4.8925 4.8925 5.3821 5.3821 5.4804 5.4804 5.8053 5.8053 6.0412 6.0412 6.0904 6.0904 7.3037 7.3037 7.6446 7.6446 7.8757 7.8757 8.0228 8.0228 8.1757 8.1757 8.2729 8.2729 8.8535 8.8535 8.9953 8.9953 9.0428 9.0428 9.7036 9.7036 12.0543 12.0543 12.6480 12.6480 13.3975 13.3975 14.3972 14.3972 k = 0.5000 0.2183 0.5435 ( 3428 PWs) bands (ev): -17.8293 -17.8293 -4.6840 -4.6840 -3.6290 -3.6290 -3.1642 -3.1642 -2.2268 -2.2268 -1.8841 -1.8841 4.8995 4.8995 5.3626 5.3626 5.5317 5.5317 5.8107 5.8107 6.0374 6.0374 6.1117 6.1117 7.2881 7.2881 7.6694 7.6694 7.8893 7.8893 8.0405 8.0405 8.1849 8.1849 8.2834 8.2834 8.8625 8.8625 9.0369 9.0369 9.0429 9.0429 9.7412 9.7412 12.0384 12.0384 12.5342 12.5342 13.3115 13.3115 14.3650 14.3650 k = 0.5000 0.2183 0.5217 ( 3428 PWs) bands (ev): -17.8332 -17.8332 -4.6818 -4.6818 -3.6464 -3.6464 -3.1590 -3.1590 -2.2107 -2.2107 -1.8786 -1.8786 4.9053 4.9053 5.3431 5.3431 5.5840 5.5840 5.8158 5.8158 6.0339 6.0339 6.1337 6.1337 7.2726 7.2726 7.6952 7.6952 7.9015 7.9015 8.0580 8.0580 8.1947 8.1947 8.2950 8.2950 8.8680 8.8680 9.0421 9.0421 9.0796 9.0796 9.7773 9.7773 12.0315 12.0315 12.4203 12.4203 13.2334 13.2334 14.3388 14.3388 k = 0.5000 0.2183 0.5000 ( 3432 PWs) bands (ev): -17.8371 -17.8371 -4.6800 -4.6800 -3.6619 -3.6619 -3.1530 -3.1530 -2.1955 -2.1955 -1.8747 -1.8747 4.9102 4.9102 5.3242 5.3242 5.6369 5.6369 5.8205 5.8205 6.0306 6.0306 6.1561 6.1561 7.2573 7.2573 7.7220 7.7220 7.9122 7.9122 8.0751 8.0751 8.2051 8.2051 8.3074 8.3074 8.8700 8.8700 9.0404 9.0404 9.1228 9.1228 9.8113 9.8113 12.0332 12.0332 12.3068 12.3068 13.1635 13.1635 14.3179 14.3179 k = 0.5000 0.2183 0.4782 ( 3436 PWs) bands (ev): -17.8410 -17.8410 -4.6789 -4.6789 -3.6754 -3.6754 -3.1465 -3.1465 -2.1811 -2.1811 -1.8721 -1.8721 4.9146 4.9146 5.3060 5.3060 5.6900 5.6900 5.8248 5.8248 6.0274 6.0274 6.1786 6.1786 7.2422 7.2422 7.7496 7.7496 7.9213 7.9213 8.0919 8.0919 8.2162 8.2162 8.3206 8.3206 8.8687 8.8687 9.0377 9.0377 9.1667 9.1667 9.8427 9.8427 12.0424 12.0424 12.1955 12.1955 13.1023 13.1023 14.3012 14.3012 k = 0.5000 0.2183 0.4565 ( 3430 PWs) bands (ev): -17.8448 -17.8448 -4.6784 -4.6784 -3.6868 -3.6868 -3.1395 -3.1395 -2.1678 -2.1678 -1.8708 -1.8708 4.9187 4.9187 5.2886 5.2886 5.7431 5.7431 5.8289 5.8289 6.0239 6.0239 6.2011 6.2011 7.2274 7.2274 7.7778 7.7778 7.9291 7.9291 8.1083 8.1083 8.2282 8.2282 8.3347 8.3347 8.8642 8.8642 9.0339 9.0339 9.2112 9.2112 9.8710 9.8710 12.0463 12.0463 12.0991 12.0991 13.0500 13.0500 14.2812 14.2812 k = 0.5000 0.2183 0.4348 ( 3430 PWs) bands (ev): -17.8484 -17.8484 -4.6786 -4.6786 -3.6959 -3.6959 -3.1323 -3.1323 -2.1558 -2.1558 -1.8705 -1.8705 4.9227 4.9227 5.2722 5.2722 5.7960 5.7960 5.8327 5.8327 6.0201 6.0201 6.2235 6.2235 7.2130 7.2130 7.8063 7.8063 7.9356 7.9356 8.1239 8.1239 8.2409 8.2409 8.3494 8.3494 8.8566 8.8566 9.0291 9.0291 9.2559 9.2559 9.8958 9.8958 11.9640 11.9640 12.0981 12.0981 13.0068 13.0068 14.2116 14.2116 k = 0.5000 0.2183 0.4130 ( 3418 PWs) bands (ev): -17.8520 -17.8520 -4.6795 -4.6795 -3.7027 -3.7027 -3.1248 -3.1248 -2.1452 -2.1452 -1.8708 -1.8708 4.9269 4.9269 5.2566 5.2566 5.8355 5.8355 5.8492 5.8492 6.0157 6.0157 6.2458 6.2458 7.1989 7.1989 7.8348 7.8348 7.9414 7.9414 8.1389 8.1389 8.2543 8.2543 8.3649 8.3649 8.8463 8.8463 9.0236 9.0236 9.3010 9.3010 9.9169 9.9169 11.8589 11.8589 12.1282 12.1282 12.9729 12.9729 14.1081 14.1081 k = 0.5000 0.2183 0.3913 ( 3422 PWs) bands (ev): -17.8555 -17.8555 -4.6811 -4.6811 -3.7073 -3.7073 -3.1173 -3.1173 -2.1363 -2.1363 -1.8716 -1.8716 4.9315 4.9315 5.2420 5.2420 5.8389 5.8389 5.9008 5.9008 6.0107 6.0107 6.2678 6.2678 7.1853 7.1853 7.8623 7.8623 7.9469 7.9469 8.1528 8.1528 8.2683 8.2683 8.3809 8.3809 8.8334 8.8334 9.0173 9.0173 9.3460 9.3460 9.9339 9.9339 11.7548 11.7548 12.1643 12.1643 12.9481 12.9481 14.0085 14.0085 k = 0.5000 0.2183 0.3696 ( 3430 PWs) bands (ev): -17.8589 -17.8589 -4.6834 -4.6834 -3.7097 -3.7097 -3.1098 -3.1098 -2.1293 -2.1293 -1.8724 -1.8724 4.9366 4.9366 5.2282 5.2282 5.8416 5.8416 5.9512 5.9512 6.0057 6.0057 6.2894 6.2894 7.1721 7.1721 7.8875 7.8875 7.9536 7.9536 8.1658 8.1658 8.2827 8.2827 8.3975 8.3975 8.8184 8.8184 9.0104 9.0104 9.3909 9.3909 9.9469 9.9469 11.6533 11.6533 12.2030 12.2030 12.9321 12.9321 13.9187 13.9187 k = 0.5000 0.2183 0.3478 ( 3430 PWs) bands (ev): -17.8621 -17.8621 -4.6863 -4.6863 -3.7099 -3.7099 -3.1025 -3.1025 -2.1244 -2.1244 -1.8730 -1.8730 4.9422 4.9422 5.2153 5.2153 5.8440 5.8440 5.9884 5.9884 6.0123 6.0123 6.3107 6.3107 7.1594 7.1594 7.9073 7.9073 7.9646 7.9646 8.1779 8.1779 8.2975 8.2975 8.4147 8.4147 8.8017 8.8017 9.0031 9.0031 9.4354 9.4354 9.9560 9.9560 11.5553 11.5553 12.2412 12.2412 12.9246 12.9246 13.8421 13.8421 k = 0.5000 0.2183 0.3261 ( 3424 PWs) bands (ev): -17.8652 -17.8652 -4.6898 -4.6898 -3.7081 -3.7081 -3.0954 -3.0954 -2.1216 -2.1216 -1.8731 -1.8731 4.9485 4.9485 5.2033 5.2033 5.8462 5.8462 5.9864 5.9864 6.0560 6.0560 6.3314 6.3314 7.1474 7.1474 7.9190 7.9190 7.9821 7.9821 8.1890 8.1890 8.3123 8.3123 8.4325 8.4325 8.7839 8.7839 8.9955 8.9955 9.4793 9.4793 9.9614 9.9614 11.4610 11.4610 12.2760 12.2760 12.9248 12.9248 13.7816 13.7816 k = 0.5000 0.2183 0.3043 ( 3428 PWs) bands (ev): -17.8681 -17.8681 -4.6938 -4.6938 -3.7045 -3.7045 -3.0886 -3.0886 -2.1211 -2.1211 -1.8726 -1.8726 4.9555 4.9555 5.1921 5.1921 5.8481 5.8481 5.9784 5.9784 6.1035 6.1035 6.3515 6.3515 7.1359 7.1359 7.9240 7.9240 8.0048 8.0048 8.1992 8.1992 8.3269 8.3269 8.4508 8.4508 8.7655 8.7655 8.9874 8.9874 9.5225 9.5225 9.9632 9.9632 11.3709 11.3709 12.3039 12.3039 12.9320 12.9320 13.7403 13.7403 k = 0.5000 0.2183 0.2826 ( 3436 PWs) bands (ev): -17.8709 -17.8709 -4.6982 -4.6982 -3.6994 -3.6994 -3.0821 -3.0821 -2.1226 -2.1226 -1.8714 -1.8714 4.9630 4.9630 5.1818 5.1818 5.8498 5.8498 5.9690 5.9690 6.1500 6.1500 6.3710 6.3710 7.1250 7.1250 7.9254 7.9254 8.0293 8.0293 8.2086 8.2086 8.3409 8.3409 8.4695 8.4695 8.7471 8.7471 8.9789 8.9789 9.5645 9.5645 9.9621 9.9621 11.2853 11.2853 12.3221 12.3221 12.9453 12.9453 13.7207 13.7207 k = 0.5000 0.2183 0.2609 ( 3428 PWs) bands (ev): -17.8735 -17.8735 -4.7028 -4.7028 -3.6929 -3.6929 -3.0761 -3.0761 -2.1260 -2.1260 -1.8693 -1.8693 4.9712 4.9712 5.1724 5.1724 5.8513 5.8513 5.9588 5.9588 6.1947 6.1947 6.3898 6.3898 7.1148 7.1148 7.9247 7.9247 8.0539 8.0539 8.2172 8.2172 8.3544 8.3544 8.4886 8.4886 8.7295 8.7295 8.9700 8.9700 9.6052 9.6052 9.9584 9.9584 11.2046 11.2046 12.3289 12.3289 12.9637 12.9637 13.7242 13.7242 k = 0.5000 0.2183 0.2391 ( 3434 PWs) bands (ev): -17.8759 -17.8759 -4.7076 -4.7076 -3.6853 -3.6853 -3.0706 -3.0706 -2.1310 -2.1310 -1.8667 -1.8667 4.9798 4.9798 5.1637 5.1637 5.8525 5.8525 5.9481 5.9481 6.2372 6.2372 6.4078 6.4078 7.1053 7.1053 7.9229 7.9229 8.0774 8.0774 8.2250 8.2250 8.3670 8.3670 8.5078 8.5078 8.7131 8.7131 8.9606 8.9606 9.6442 9.6442 9.9527 9.9527 11.1291 11.1291 12.3237 12.3237 12.9860 12.9860 13.7507 13.7507 k = 0.5000 0.2183 0.2174 ( 3442 PWs) bands (ev): -17.8781 -17.8781 -4.7124 -4.7124 -3.6769 -3.6769 -3.0656 -3.0656 -2.1373 -2.1373 -1.8636 -1.8636 4.9887 4.9887 5.1558 5.1558 5.8534 5.8534 5.9369 5.9369 6.2772 6.2772 6.4250 6.4250 7.0965 7.0965 7.9202 7.9202 8.0994 8.0994 8.2320 8.2320 8.3786 8.3786 8.5270 8.5270 8.6986 8.6986 8.9506 8.9506 9.6812 9.6812 9.9455 9.9455 11.0590 11.0590 12.3078 12.3078 13.0112 13.0112 13.7982 13.7982 k = 0.5000 0.2183 0.1956 ( 3432 PWs) bands (ev): -17.8802 -17.8802 -4.7172 -4.7172 -3.6680 -3.6680 -3.0611 -3.0611 -2.1444 -2.1444 -1.8601 -1.8601 4.9979 4.9979 5.1488 5.1488 5.8542 5.8542 5.9256 5.9256 6.3142 6.3142 6.4414 6.4414 7.0886 7.0886 7.9172 7.9172 8.1195 8.1195 8.2381 8.2381 8.3894 8.3894 8.5458 8.5458 8.6866 8.6866 8.9403 8.9403 9.7158 9.7158 9.9373 9.9373 10.9946 10.9946 12.2836 12.2836 13.0382 13.0382 13.8634 13.8634 k = 0.5000 0.2183 0.1739 ( 3428 PWs) bands (ev): -17.8820 -17.8820 -4.7218 -4.7218 -3.6590 -3.6590 -3.0572 -3.0572 -2.1521 -2.1521 -1.8565 -1.8565 5.0070 5.0070 5.1425 5.1425 5.8548 5.8548 5.9145 5.9145 6.3479 6.3479 6.4570 6.4570 7.0814 7.0814 7.9139 7.9139 8.1373 8.1373 8.2432 8.2432 8.3989 8.3989 8.5636 8.5636 8.6778 8.6778 8.9295 8.9295 9.7478 9.7478 9.9288 9.9288 10.9363 10.9363 12.2540 12.2540 13.0660 13.0660 13.9423 13.9423 k = 0.5000 0.2183 0.1522 ( 3426 PWs) bands (ev): -17.8837 -17.8837 -4.7260 -4.7260 -3.6501 -3.6501 -3.0539 -3.0539 -2.1598 -2.1598 -1.8530 -1.8530 5.0158 5.0158 5.1369 5.1369 5.8552 5.8552 5.9039 5.9039 6.3778 6.3778 6.4719 6.4719 7.0750 7.0750 7.9105 7.9105 8.1530 8.1530 8.2471 8.2471 8.4074 8.4074 8.5796 8.5796 8.6728 8.6728 8.9182 8.9182 9.7767 9.7767 9.9203 9.9203 10.8842 10.8842 12.2217 12.2217 13.0936 13.0936 14.0301 14.0301 k = 0.5000 0.2183 0.1304 ( 3438 PWs) bands (ev): -17.8851 -17.8851 -4.7299 -4.7299 -3.6416 -3.6416 -3.0511 -3.0511 -2.1673 -2.1673 -1.8496 -1.8496 5.0242 5.0242 5.1321 5.1321 5.8551 5.8551 5.8939 5.8939 6.4035 6.4035 6.4860 6.4860 7.0695 7.0695 7.9070 7.9070 8.1666 8.1666 8.2497 8.2497 8.4147 8.4147 8.5928 8.5928 8.6723 8.6723 8.9067 8.9067 9.8022 9.8022 9.9124 9.9124 10.8386 10.8386 12.1893 12.1893 13.1198 13.1198 14.1221 14.1221 k = 0.5000 0.2183 0.1087 ( 3438 PWs) bands (ev): -17.8864 -17.8864 -4.7334 -4.7334 -3.6338 -3.6338 -3.0487 -3.0487 -2.1741 -2.1741 -1.8466 -1.8466 5.0319 5.0319 5.1280 5.1280 5.8549 5.8549 5.8853 5.8853 6.4246 6.4246 6.4992 6.4992 7.0648 7.0648 7.9038 7.9038 8.1781 8.1781 8.2511 8.2511 8.4209 8.4209 8.6025 8.6025 8.6766 8.6766 8.8950 8.8950 9.8237 9.8237 9.9057 9.9057 10.7997 10.7997 12.1588 12.1588 13.1439 13.1439 14.2128 14.2128 k = 0.5000 0.2183 0.0870 ( 3442 PWs) bands (ev): -17.8874 -17.8874 -4.7363 -4.7363 -3.6271 -3.6271 -3.0469 -3.0469 -2.1802 -2.1802 -1.8439 -1.8439 5.0386 5.0386 5.1247 5.1247 5.8541 5.8541 5.8781 5.8781 6.4413 6.4413 6.5113 6.5113 7.0609 7.0609 7.9009 7.9009 8.1878 8.1878 8.2513 8.2513 8.4261 8.4261 8.6087 8.6087 8.6846 8.6846 8.8837 8.8837 9.8408 9.8408 9.9007 9.9007 10.7676 10.7676 12.1318 12.1318 13.1648 13.1648 14.2964 14.2964 k = 0.5000 0.2183 0.0652 ( 3442 PWs) bands (ev): -17.8882 -17.8882 -4.7386 -4.7386 -3.6215 -3.6215 -3.0456 -3.0456 -2.1851 -2.1851 -1.8418 -1.8418 5.0442 5.0442 5.1221 5.1221 5.8528 5.8528 5.8730 5.8730 6.4536 6.4536 6.5216 6.5216 7.0579 7.0579 7.8985 7.8985 8.1957 8.1957 8.2506 8.2506 8.4302 8.4302 8.6124 8.6124 8.6942 8.6942 8.8733 8.8733 9.8529 9.8529 9.8980 9.8980 10.7425 10.7425 12.1097 12.1097 13.1820 13.1820 14.3669 14.3669 k = 0.5000 0.2183 0.0435 ( 3442 PWs) bands (ev): -17.8887 -17.8887 -4.7403 -4.7403 -3.6174 -3.6174 -3.0446 -3.0446 -2.1888 -2.1888 -1.8403 -1.8403 5.0483 5.0483 5.1203 5.1203 5.8513 5.8513 5.8697 5.8697 6.4621 6.4621 6.5296 6.5296 7.0557 7.0557 7.8967 7.8967 8.2018 8.2018 8.2494 8.2494 8.4330 8.4330 8.6147 8.6147 8.7034 8.7034 8.8645 8.8645 9.8597 9.8597 9.8978 9.8978 10.7245 10.7245 12.0932 12.0932 13.1947 13.1947 14.4196 14.4196 k = 0.5000 0.2183 0.0217 ( 3434 PWs) bands (ev): -17.8891 -17.8891 -4.7413 -4.7413 -3.6149 -3.6149 -3.0440 -3.0440 -2.1910 -2.1910 -1.8393 -1.8393 5.0508 5.0508 5.1192 5.1192 5.8501 5.8501 5.8680 5.8680 6.4670 6.4670 6.5346 6.5346 7.0545 7.0545 7.8956 7.8956 8.2056 8.2056 8.2484 8.2484 8.4348 8.4348 8.6159 8.6159 8.7099 8.7099 8.8585 8.8585 9.8627 9.8627 9.8989 9.8989 10.7136 10.7136 12.0831 12.0831 13.2025 13.2025 14.4519 14.4519 k = 0.5000 0.2183-0.0000 ( 3426 PWs) bands (ev): -17.8892 -17.8892 -4.7417 -4.7417 -3.6140 -3.6140 -3.0439 -3.0439 -2.1918 -2.1918 -1.8390 -1.8390 5.0517 5.0517 5.1188 5.1188 5.8496 5.8496 5.8675 5.8675 6.4686 6.4686 6.5364 6.5364 7.0542 7.0542 7.8953 7.8953 8.2070 8.2070 8.2479 8.2479 8.4354 8.4354 8.6164 8.6164 8.7124 8.7124 8.8564 8.8564 9.8634 9.8634 9.8995 9.8995 10.7100 10.7100 12.0797 12.0797 13.2051 13.2051 14.4629 14.4629 k = 0.0000 0.0000 1.2495 ( 3464 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9009 -2.9009 -2.6611 -2.6611 -2.5188 -2.5188 4.0860 4.0860 4.5263 4.5263 5.4131 5.4131 5.6201 5.6201 6.2475 6.2475 6.9181 6.9181 7.3816 7.3816 7.4817 7.4817 7.4847 7.4847 7.7001 7.7001 8.1019 8.1019 8.2181 8.2181 8.2510 8.2510 8.3377 8.3377 8.9600 8.9600 9.0312 9.0312 12.2351 12.2351 13.3948 13.3948 14.2899 14.2899 14.6226 14.6226 k = 0.0192 0.0084 1.2495 ( 3452 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9010 -2.9010 -2.6610 -2.6610 -2.5189 -2.5189 4.0872 4.0872 4.5239 4.5239 5.4132 5.4132 5.6231 5.6231 6.2457 6.2457 6.9180 6.9180 7.3819 7.3819 7.4815 7.4815 7.4847 7.4847 7.6998 7.6998 8.1025 8.1025 8.2182 8.2182 8.2511 8.2511 8.3370 8.3370 8.9604 8.9604 9.0312 9.0312 12.2399 12.2399 13.3973 13.3973 14.2821 14.2821 14.5678 14.5678 k = 0.0385 0.0168 1.2495 ( 3452 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9011 -2.9011 -2.6606 -2.6606 -2.5192 -2.5192 4.0907 4.0907 4.5167 4.5167 5.4136 5.4136 5.6322 5.6322 6.2400 6.2400 6.9177 6.9177 7.3830 7.3830 7.4809 7.4809 7.4847 7.4847 7.6987 7.6987 8.1040 8.1040 8.2177 8.2177 8.2513 8.2513 8.3349 8.3349 8.9614 8.9614 9.0307 9.0307 12.2545 12.2545 13.4046 13.4046 14.2578 14.2578 14.4583 14.4583 k = 0.0577 0.0252 1.2495 ( 3448 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9013 -2.9013 -2.6599 -2.6599 -2.5197 -2.5197 4.0965 4.0965 4.5051 4.5051 5.4142 5.4142 5.6469 5.6469 6.2307 6.2307 6.9171 6.9171 7.3848 7.3848 7.4796 7.4796 7.4850 7.4850 7.6969 7.6969 8.1066 8.1066 8.2170 8.2170 8.2515 8.2515 8.3315 8.3315 8.9631 8.9631 9.0300 9.0300 12.2786 12.2786 13.4168 13.4168 14.2104 14.2104 14.3451 14.3451 k = 0.0769 0.0336 1.2495 ( 3444 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9015 -2.9015 -2.6590 -2.6590 -2.5203 -2.5203 4.1046 4.1046 4.4896 4.4896 5.4149 5.4149 5.6667 5.6667 6.2177 6.2177 6.9164 6.9164 7.3873 7.3873 7.4777 7.4777 7.4857 7.4857 7.6946 7.6946 8.1101 8.1101 8.2159 8.2159 8.2520 8.2520 8.3269 8.3269 8.9654 8.9654 9.0290 9.0290 12.3121 12.3121 13.4336 13.4336 14.1238 14.1238 14.2581 14.2581 k = 0.0962 0.0420 1.2495 ( 3456 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9018 -2.9018 -2.6580 -2.6580 -2.5211 -2.5211 4.1149 4.1149 4.4707 4.4707 5.4157 5.4157 5.6909 5.6909 6.2013 6.2013 6.9155 6.9155 7.3903 7.3903 7.4751 7.4751 7.4864 7.4864 7.6918 7.6918 8.1144 8.1144 8.2143 8.2143 8.2524 8.2524 8.3213 8.3213 8.9681 8.9681 9.0277 9.0277 12.3548 12.3548 13.4551 13.4551 14.0044 14.0044 14.1966 14.1966 k = 0.1154 0.0504 1.2495 ( 3442 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9022 -2.9022 -2.6568 -2.6568 -2.5220 -2.5220 4.1274 4.1274 4.4491 4.4491 5.4167 5.4167 5.7190 5.7190 6.1817 6.1817 6.9146 6.9146 7.3939 7.3939 7.4721 7.4721 7.4874 7.4874 7.6888 7.6888 8.1198 8.1198 8.2123 8.2123 8.2531 8.2531 8.3151 8.3151 8.9713 8.9713 9.0261 9.0261 12.4064 12.4064 13.4809 13.4809 13.8744 13.8744 14.1419 14.1419 k = 0.1346 0.0588 1.2495 ( 3442 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9025 -2.9025 -2.6556 -2.6556 -2.5228 -2.5228 4.1419 4.1419 4.4254 4.4254 5.4177 5.4177 5.7501 5.7501 6.1590 6.1590 6.9136 6.9136 7.3978 7.3978 7.4686 7.4686 7.4885 7.4885 7.6856 7.6856 8.1257 8.1257 8.2098 8.2098 8.2538 8.2538 8.3086 8.3086 8.9747 8.9747 9.0243 9.0243 12.4664 12.4664 13.5108 13.5108 13.7430 13.7430 14.0878 14.0878 k = 0.1538 0.0672 1.2495 ( 3452 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9028 -2.9028 -2.6544 -2.6544 -2.5237 -2.5237 4.1585 4.1585 4.4003 4.4003 5.4186 5.4186 5.7834 5.7834 6.1335 6.1335 6.9126 6.9126 7.4021 7.4021 7.4647 7.4647 7.4895 7.4895 7.6824 7.6824 8.1322 8.1322 8.2065 8.2065 8.2548 8.2548 8.3018 8.3018 8.9782 8.9782 9.0223 9.0223 12.5343 12.5343 13.5442 13.5442 13.6138 13.6138 14.0331 14.0331 k = 0.1731 0.0756 1.2495 ( 3460 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9031 -2.9031 -2.6533 -2.6533 -2.5245 -2.5245 4.1768 4.1768 4.3743 4.3743 5.4195 5.4195 5.8183 5.8183 6.1056 6.1056 6.9117 6.9117 7.4064 7.4064 7.4607 7.4607 7.4905 7.4905 7.6796 7.6796 8.1391 8.1391 8.2028 8.2028 8.2559 8.2559 8.2955 8.2955 8.9816 8.9816 9.0202 9.0202 12.6095 12.6095 13.4857 13.4857 13.5833 13.5833 13.9782 13.9782 k = 0.1923 0.0840 1.2495 ( 3460 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9034 -2.9034 -2.6524 -2.6524 -2.5252 -2.5252 4.1968 4.1968 4.3480 4.3480 5.4202 5.4202 5.8539 5.8539 6.0757 6.0757 6.9109 6.9109 7.4105 7.4105 7.4568 7.4568 7.4913 7.4913 7.6772 7.6772 8.1459 8.1459 8.1986 8.1986 8.2572 8.2572 8.2899 8.2899 8.9848 8.9848 9.0181 9.0181 12.6909 12.6909 13.3645 13.3645 13.6240 13.6240 13.9235 13.9235 k = 0.2115 0.0924 1.2495 ( 3466 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9036 -2.9036 -2.6517 -2.6517 -2.5258 -2.5258 4.2181 4.2181 4.3220 4.3220 5.4207 5.4207 5.8892 5.8892 6.0447 6.0447 6.9103 6.9103 7.4142 7.4142 7.4533 7.4533 7.4920 7.4920 7.6753 7.6753 8.1523 8.1523 8.1942 8.1942 8.2583 8.2583 8.2853 8.2853 8.9875 8.9875 9.0162 9.0162 12.7762 12.7762 13.2504 13.2504 13.6679 13.6679 13.8696 13.8696 k = 0.2308 0.1008 1.2495 ( 3466 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9037 -2.9037 -2.6513 -2.6513 -2.5261 -2.5261 4.2397 4.2397 4.2975 4.2975 5.4211 5.4211 5.9216 5.9216 6.0150 6.0150 6.9100 6.9100 7.4169 7.4169 7.4509 7.4509 7.4924 7.4924 7.6742 7.6742 8.1573 8.1573 8.1905 8.1905 8.2593 8.2593 8.2822 8.2822 8.9894 8.9894 9.0149 9.0149 12.8581 12.8581 13.1511 13.1511 13.7143 13.7143 13.8172 13.8172 k = 0.2500 0.1092 1.2495 ( 3472 PWs) bands (ev): -17.7412 -17.7412 -4.7305 -4.7305 -3.0004 -3.0004 -2.9037 -2.9037 -2.6511 -2.6511 -2.5262 -2.5262 4.2538 4.2538 4.2824 4.2824 5.4212 5.4212 5.9392 5.9392 5.9982 5.9982 6.9098 6.9098 7.4179 7.4179 7.4499 7.4499 7.4925 7.4925 7.6737 7.6737 8.1593 8.1593 8.1888 8.1888 8.2597 8.2597 8.2810 8.2810 8.9900 8.9900 9.0144 9.0144 12.9027 12.9027 13.1007 13.1007 13.7542 13.7542 13.7753 13.7753 Writing output data file BaxCuSx2.save init_run : 0.36s CPU 0.52s WALL ( 1 calls) electrons : 226.14s CPU 228.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 226.13s CPU 228.78s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 351 calls) cegterg : 204.01s CPU 206.07s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 151.87s CPU 153.48s WALL ( 6634 calls) s_psi : 6.92s CPU 6.85s WALL ( 6634 calls) g_psi : 0.18s CPU 0.20s WALL ( 5915 calls) cdiaghg : 49.92s CPU 50.73s WALL ( 6266 calls) cegterg:over : 5.28s CPU 5.27s WALL ( 5915 calls) cegterg:upda : 4.11s CPU 4.13s WALL ( 5915 calls) cegterg:last : 2.13s CPU 2.15s WALL ( 1070 calls) cdiaghg:chol : 2.75s CPU 2.89s WALL ( 6266 calls) cdiaghg:inve : 2.04s CPU 1.97s WALL ( 6266 calls) cdiaghg:para : 3.19s CPU 3.12s WALL ( 12532 calls) Called by h_psi: h_psi:vloc : 137.97s CPU 139.40s WALL ( 6634 calls) h_psi:vnl : 13.72s CPU 13.89s WALL ( 6634 calls) add_vuspsi : 7.10s CPU 7.36s WALL ( 6634 calls) General routines calbec : 6.60s CPU 6.51s WALL ( 6634 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 130.39s CPU 131.97s WALL ( 779032 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.21s WALL ( 702 calls) Parallel routines fft_scatter : 39.43s CPU 40.30s WALL ( 779055 calls) PWSCF : 4m 2.70s CPU 4m23.15s WALL This run was terminated on: 14: 9:27 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=