Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 6:24 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: ./Li2CN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 73 20 1558 1558 233 Max 74 74 21 1560 1560 236 Sum 2631 2631 745 56101 56101 8457 bravais-lattice index = 14 lattice parameter (alat) = 9.5577 a.u. unit-cell volume = 397.5866 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.557707 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.734291 celldm(5)= -0.734291 celldm(6)= 0.468582 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.468582 0.883420 0.000000 ) a(3) = ( -0.734291 -0.441710 0.515470 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.530418 0.969989 ) b(2) = ( 0.000000 1.131964 0.969989 ) b(3) = ( 0.000000 0.000000 1.939978 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 395 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0000000 0.0000000 0.0159015), wk = 0.0025316 k( 3) = ( 0.0000000 0.0000000 0.0318029), wk = 0.0025316 k( 4) = ( 0.0000000 0.0000000 0.0477044), wk = 0.0025316 k( 5) = ( 0.0000000 0.0000000 0.0636058), wk = 0.0025316 k( 6) = ( 0.0000000 0.0000000 0.0795073), wk = 0.0025316 k( 7) = ( 0.0000000 0.0000000 0.0954087), wk = 0.0025316 k( 8) = ( 0.0000000 0.0000000 0.1113102), wk = 0.0025316 k( 9) = ( 0.0000000 0.0000000 0.1272116), wk = 0.0025316 k( 10) = ( 0.0000000 0.0000000 0.1431131), wk = 0.0025316 k( 11) = ( 0.0000000 0.0000000 0.1590146), wk = 0.0025316 k( 12) = ( 0.0000000 0.0000000 0.1749160), wk = 0.0025316 k( 13) = ( 0.0000000 0.0000000 0.1908175), wk = 0.0025316 k( 14) = ( 0.0000000 0.0000000 0.2067189), wk = 0.0025316 k( 15) = ( 0.0000000 0.0000000 0.2226204), wk = 0.0025316 k( 16) = ( 0.0000000 0.0000000 0.2385218), wk = 0.0025316 k( 17) = ( 0.0000000 0.0000000 0.2544233), wk = 0.0025316 k( 18) = ( 0.0000000 0.0000000 0.2703247), wk = 0.0025316 k( 19) = ( 0.0000000 0.0000000 0.2862262), wk = 0.0025316 k( 20) = ( 0.0000000 0.0000000 0.3021277), wk = 0.0025316 k( 21) = ( 0.0000000 0.0000000 0.3180291), wk = 0.0025316 k( 22) = ( 0.0000000 0.0000000 0.3339306), wk = 0.0025316 k( 23) = ( 0.0000000 0.0000000 0.3498320), wk = 0.0025316 k( 24) = ( 0.0000000 0.0000000 0.3657335), wk = 0.0025316 k( 25) = ( 0.0000000 0.0000000 0.3816349), wk = 0.0025316 k( 26) = ( 0.0000000 0.0000000 0.3975364), wk = 0.0025316 k( 27) = ( 0.0000000 0.0000000 0.4134378), wk = 0.0025316 k( 28) = ( 0.0000000 0.0000000 0.4293393), wk = 0.0025316 k( 29) = ( 0.0000000 0.0000000 0.4452408), wk = 0.0025316 k( 30) = ( 0.0000000 0.0000000 0.4611422), wk = 0.0025316 k( 31) = ( 0.0000000 0.0000000 0.4770437), wk = 0.0025316 k( 32) = ( 0.0000000 0.0000000 0.4929451), wk = 0.0025316 k( 33) = ( 0.0000000 0.0000000 0.5088466), wk = 0.0025316 k( 34) = ( 0.0000000 0.0000000 0.5247480), wk = 0.0025316 k( 35) = ( 0.0000000 0.0000000 0.5406495), wk = 0.0025316 k( 36) = ( 0.0000000 0.0000000 0.5565510), wk = 0.0025316 k( 37) = ( 0.0000000 0.0000000 0.5724524), wk = 0.0025316 k( 38) = ( 0.0000000 0.0000000 0.5883539), wk = 0.0025316 k( 39) = ( 0.0000000 0.0000000 0.6042553), wk = 0.0025316 k( 40) = ( 0.0000000 0.0000000 0.6201568), wk = 0.0025316 k( 41) = ( 0.0000000 0.0000000 0.6360582), wk = 0.0025316 k( 42) = ( 0.0000000 0.0000000 0.6519597), wk = 0.0025316 k( 43) = ( 0.0000000 0.0000000 0.6678612), wk = 0.0025316 k( 44) = ( 0.0000000 0.0000000 0.6837626), wk = 0.0025316 k( 45) = ( 0.0000000 0.0000000 0.6996641), wk = 0.0025316 k( 46) = ( 0.0000000 0.0000000 0.7155655), wk = 0.0025316 k( 47) = ( 0.0000000 0.0000000 0.7314670), wk = 0.0025316 k( 48) = ( 0.0000000 0.0000000 0.7473684), wk = 0.0025316 k( 49) = ( 0.0000000 0.0000000 0.7632699), wk = 0.0025316 k( 50) = ( 0.0000000 0.0000000 0.7791713), wk = 0.0025316 k( 51) = ( 0.0000000 0.0000000 0.7950728), wk = 0.0025316 k( 52) = ( 0.0000000 0.0000000 0.8109743), wk = 0.0025316 k( 53) = ( 0.0000000 0.0000000 0.8268757), wk = 0.0025316 k( 54) = ( 0.0000000 0.0000000 0.8427772), wk = 0.0025316 k( 55) = ( 0.0000000 0.0000000 0.8586786), wk = 0.0025316 k( 56) = ( 0.0000000 0.0000000 0.8745801), wk = 0.0025316 k( 57) = ( 0.0000000 0.0000000 0.8904815), wk = 0.0025316 k( 58) = ( 0.0000000 0.0000000 0.9063830), wk = 0.0025316 k( 59) = ( 0.0000000 0.0000000 0.9222844), wk = 0.0025316 k( 60) = ( 0.0000000 0.0000000 0.9381859), wk = 0.0025316 k( 61) = ( 0.0000000 0.0000000 0.9540874), wk = 0.0025316 k( 62) = ( 0.0000000 0.0000000 0.9699888), wk = 0.0025316 k( 63) = ( 0.0000000 0.0000000 0.9699888), wk = 0.0025316 k( 64) = ( -0.0082241 0.0136715 0.9699888), wk = 0.0025316 k( 65) = ( -0.0164481 0.0273430 0.9699888), wk = 0.0025316 k( 66) = ( -0.0246722 0.0410145 0.9699888), wk = 0.0025316 k( 67) = ( -0.0328962 0.0546860 0.9699888), wk = 0.0025316 k( 68) = ( -0.0411202 0.0683576 0.9699888), wk = 0.0025316 k( 69) = ( -0.0493443 0.0820291 0.9699888), wk = 0.0025316 k( 70) = ( -0.0575684 0.0957006 0.9699888), wk = 0.0025316 k( 71) = ( -0.0657924 0.1093721 0.9699888), wk = 0.0025316 k( 72) = ( -0.0740165 0.1230436 0.9699888), wk = 0.0025316 k( 73) = ( -0.0822405 0.1367151 0.9699888), wk = 0.0025316 k( 74) = ( -0.0904646 0.1503866 0.9699888), wk = 0.0025316 k( 75) = ( -0.0904646 0.1503866 0.9699888), wk = 0.0025316 k( 76) = ( -0.0963151 0.1601124 0.9586389), wk = 0.0025316 k( 77) = ( -0.1021656 0.1698382 0.9472891), wk = 0.0025316 k( 78) = ( -0.1080161 0.1795640 0.9359393), wk = 0.0025316 k( 79) = ( -0.1138666 0.1892897 0.9245894), wk = 0.0025316 k( 80) = ( -0.1197171 0.1990155 0.9132396), wk = 0.0025316 k( 81) = ( -0.1255676 0.2087413 0.9018897), wk = 0.0025316 k( 82) = ( -0.1314181 0.2184671 0.8905399), wk = 0.0025316 k( 83) = ( -0.1372686 0.2281928 0.8791900), wk = 0.0025316 k( 84) = ( -0.1431191 0.2379186 0.8678401), wk = 0.0025316 k( 85) = ( -0.1489696 0.2476444 0.8564903), wk = 0.0025316 k( 86) = ( -0.1548201 0.2573702 0.8451404), wk = 0.0025316 k( 87) = ( -0.1606706 0.2670959 0.8337906), wk = 0.0025316 k( 88) = ( -0.1665211 0.2768217 0.8224407), wk = 0.0025316 k( 89) = ( -0.1723716 0.2865475 0.8110909), wk = 0.0025316 k( 90) = ( -0.1782221 0.2962733 0.7997410), wk = 0.0025316 k( 91) = ( -0.1840727 0.3059990 0.7883912), wk = 0.0025316 k( 92) = ( -0.1899232 0.3157248 0.7770413), wk = 0.0025316 k( 93) = ( -0.1957737 0.3254506 0.7656915), wk = 0.0025316 k( 94) = ( -0.2016242 0.3351764 0.7543416), wk = 0.0025316 k( 95) = ( -0.2074747 0.3449021 0.7429918), wk = 0.0025316 k( 96) = ( -0.2133252 0.3546279 0.7316419), wk = 0.0025316 k( 97) = ( -0.2191757 0.3643537 0.7202921), wk = 0.0025316 k( 98) = ( -0.2250262 0.3740795 0.7089422), wk = 0.0025316 k( 99) = ( -0.2308767 0.3838052 0.6975924), wk = 0.0025316 k( 100) = ( -0.2367272 0.3935310 0.6862425), wk = 0.0025316 k( 101) = ( -0.2425777 0.4032568 0.6748927), wk = 0.0025316 k( 102) = ( -0.2484282 0.4129826 0.6635428), wk = 0.0025316 k( 103) = ( -0.2542787 0.4227083 0.6521930), wk = 0.0025316 k( 104) = ( -0.2601292 0.4324341 0.6408431), wk = 0.0025316 k( 105) = ( -0.2659798 0.4421599 0.6294933), wk = 0.0025316 k( 106) = ( -0.2718302 0.4518857 0.6181434), wk = 0.0025316 k( 107) = ( -0.2776808 0.4616114 0.6067936), wk = 0.0025316 k( 108) = ( -0.2835313 0.4713372 0.5954437), wk = 0.0025316 k( 109) = ( -0.2893818 0.4810630 0.5840939), wk = 0.0025316 k( 110) = ( -0.2952323 0.4907888 0.5727440), wk = 0.0025316 k( 111) = ( -0.2952323 0.4907888 0.5727440), wk = 0.0025316 k( 112) = ( -0.2894434 0.4811654 0.5615137), wk = 0.0025316 k( 113) = ( -0.2836545 0.4715421 0.5502835), wk = 0.0025316 k( 114) = ( -0.2778657 0.4619188 0.5390532), wk = 0.0025316 k( 115) = ( -0.2720768 0.4522955 0.5278229), wk = 0.0025316 k( 116) = ( -0.2662879 0.4426722 0.5165926), wk = 0.0025316 k( 117) = ( -0.2604991 0.4330489 0.5053624), wk = 0.0025316 k( 118) = ( -0.2547102 0.4234256 0.4941321), wk = 0.0025316 k( 119) = ( -0.2489213 0.4138023 0.4829018), wk = 0.0025316 k( 120) = ( -0.2431325 0.4041790 0.4716715), wk = 0.0025316 k( 121) = ( -0.2373436 0.3945557 0.4604413), wk = 0.0025316 k( 122) = ( -0.2315547 0.3849324 0.4492110), wk = 0.0025316 k( 123) = ( -0.2257659 0.3753090 0.4379807), wk = 0.0025316 k( 124) = ( -0.2199770 0.3656857 0.4267504), wk = 0.0025316 k( 125) = ( -0.2141881 0.3560624 0.4155202), wk = 0.0025316 k( 126) = ( -0.2083993 0.3464391 0.4042899), wk = 0.0025316 k( 127) = ( -0.2026104 0.3368158 0.3930596), wk = 0.0025316 k( 128) = ( -0.1968215 0.3271925 0.3818293), wk = 0.0025316 k( 129) = ( -0.1910326 0.3175692 0.3705991), wk = 0.0025316 k( 130) = ( -0.1852438 0.3079459 0.3593688), wk = 0.0025316 k( 131) = ( -0.1794549 0.2983226 0.3481385), wk = 0.0025316 k( 132) = ( -0.1736660 0.2886993 0.3369082), wk = 0.0025316 k( 133) = ( -0.1678772 0.2790760 0.3256780), wk = 0.0025316 k( 134) = ( -0.1620883 0.2694527 0.3144477), wk = 0.0025316 k( 135) = ( -0.1562994 0.2598293 0.3032174), wk = 0.0025316 k( 136) = ( -0.1505106 0.2502060 0.2919871), wk = 0.0025316 k( 137) = ( -0.1447217 0.2405827 0.2807569), wk = 0.0025316 k( 138) = ( -0.1389328 0.2309594 0.2695266), wk = 0.0025316 k( 139) = ( -0.1331440 0.2213361 0.2582963), wk = 0.0025316 k( 140) = ( -0.1273551 0.2117128 0.2470660), wk = 0.0025316 k( 141) = ( -0.1215662 0.2020895 0.2358358), wk = 0.0025316 k( 142) = ( -0.1157774 0.1924662 0.2246055), wk = 0.0025316 k( 143) = ( -0.1099885 0.1828429 0.2133752), wk = 0.0025316 k( 144) = ( -0.1041996 0.1732196 0.2021449), wk = 0.0025316 k( 145) = ( -0.0984108 0.1635963 0.1909147), wk = 0.0025316 k( 146) = ( -0.0926219 0.1539729 0.1796844), wk = 0.0025316 k( 147) = ( -0.0868330 0.1443496 0.1684541), wk = 0.0025316 k( 148) = ( -0.0810442 0.1347263 0.1572239), wk = 0.0025316 k( 149) = ( -0.0752553 0.1251030 0.1459936), wk = 0.0025316 k( 150) = ( -0.0694664 0.1154797 0.1347633), wk = 0.0025316 k( 151) = ( -0.0636775 0.1058564 0.1235330), wk = 0.0025316 k( 152) = ( -0.0578887 0.0962331 0.1123027), wk = 0.0025316 k( 153) = ( -0.0520998 0.0866098 0.1010725), wk = 0.0025316 k( 154) = ( -0.0463109 0.0769865 0.0898422), wk = 0.0025316 k( 155) = ( -0.0405221 0.0673632 0.0786119), wk = 0.0025316 k( 156) = ( -0.0347332 0.0577399 0.0673816), wk = 0.0025316 k( 157) = ( -0.0289443 0.0481165 0.0561514), wk = 0.0025316 k( 158) = ( -0.0231555 0.0384932 0.0449211), wk = 0.0025316 k( 159) = ( -0.0173666 0.0288699 0.0336908), wk = 0.0025316 k( 160) = ( -0.0115777 0.0192466 0.0224606), wk = 0.0025316 k( 161) = ( -0.0057889 0.0096233 0.0112303), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 164) = ( 0.0135135 0.0081290 -0.0000000), wk = 0.0025316 k( 165) = ( 0.0270270 0.0162580 -0.0000000), wk = 0.0025316 k( 166) = ( 0.0405405 0.0243870 -0.0000000), wk = 0.0025316 k( 167) = ( 0.0540540 0.0325160 -0.0000000), wk = 0.0025316 k( 168) = ( 0.0675676 0.0406450 -0.0000000), wk = 0.0025316 k( 169) = ( 0.0810811 0.0487740 -0.0000000), wk = 0.0025316 k( 170) = ( 0.0945946 0.0569030 -0.0000000), wk = 0.0025316 k( 171) = ( 0.1081081 0.0650321 -0.0000000), wk = 0.0025316 k( 172) = ( 0.1216216 0.0731611 -0.0000000), wk = 0.0025316 k( 173) = ( 0.1351351 0.0812901 -0.0000000), wk = 0.0025316 k( 174) = ( 0.1486486 0.0894191 -0.0000000), wk = 0.0025316 k( 175) = ( 0.1621622 0.0975481 -0.0000000), wk = 0.0025316 k( 176) = ( 0.1756757 0.1056771 -0.0000000), wk = 0.0025316 k( 177) = ( 0.1891892 0.1138061 -0.0000000), wk = 0.0025316 k( 178) = ( 0.2027027 0.1219351 -0.0000000), wk = 0.0025316 k( 179) = ( 0.2162162 0.1300641 -0.0000000), wk = 0.0025316 k( 180) = ( 0.2297297 0.1381931 -0.0000000), wk = 0.0025316 k( 181) = ( 0.2432432 0.1463221 -0.0000000), wk = 0.0025316 k( 182) = ( 0.2567568 0.1544511 -0.0000000), wk = 0.0025316 k( 183) = ( 0.2702703 0.1625801 -0.0000000), wk = 0.0025316 k( 184) = ( 0.2837838 0.1707092 -0.0000000), wk = 0.0025316 k( 185) = ( 0.2972973 0.1788382 -0.0000000), wk = 0.0025316 k( 186) = ( 0.3108108 0.1869672 -0.0000000), wk = 0.0025316 k( 187) = ( 0.3243243 0.1950962 -0.0000000), wk = 0.0025316 k( 188) = ( 0.3378378 0.2032252 -0.0000000), wk = 0.0025316 k( 189) = ( 0.3513514 0.2113542 -0.0000000), wk = 0.0025316 k( 190) = ( 0.3648649 0.2194832 -0.0000000), wk = 0.0025316 k( 191) = ( 0.3783784 0.2276122 -0.0000000), wk = 0.0025316 k( 192) = ( 0.3918919 0.2357412 -0.0000000), wk = 0.0025316 k( 193) = ( 0.4054054 0.2438702 -0.0000000), wk = 0.0025316 k( 194) = ( 0.4189189 0.2519992 -0.0000000), wk = 0.0025316 k( 195) = ( 0.4324324 0.2601282 -0.0000000), wk = 0.0025316 k( 196) = ( 0.4459459 0.2682572 -0.0000000), wk = 0.0025316 k( 197) = ( 0.4594595 0.2763862 -0.0000000), wk = 0.0025316 k( 198) = ( 0.4729730 0.2845153 -0.0000000), wk = 0.0025316 k( 199) = ( 0.4864865 0.2926443 -0.0000000), wk = 0.0025316 k( 200) = ( 0.5000000 0.3007733 -0.0000000), wk = 0.0025316 k( 201) = ( 0.5000000 0.3007733 -0.0000000), wk = 0.0025316 k( 202) = ( 0.4941495 0.3104991 0.0113499), wk = 0.0025316 k( 203) = ( 0.4882990 0.3202248 0.0226997), wk = 0.0025316 k( 204) = ( 0.4824485 0.3299506 0.0340496), wk = 0.0025316 k( 205) = ( 0.4765980 0.3396764 0.0453994), wk = 0.0025316 k( 206) = ( 0.4707475 0.3494021 0.0567493), wk = 0.0025316 k( 207) = ( 0.4648970 0.3591279 0.0680991), wk = 0.0025316 k( 208) = ( 0.4590465 0.3688537 0.0794490), wk = 0.0025316 k( 209) = ( 0.4531960 0.3785795 0.0907988), wk = 0.0025316 k( 210) = ( 0.4473454 0.3883053 0.1021487), wk = 0.0025316 k( 211) = ( 0.4414949 0.3980310 0.1134985), wk = 0.0025316 k( 212) = ( 0.4356444 0.4077568 0.1248484), wk = 0.0025316 k( 213) = ( 0.4297939 0.4174826 0.1361982), wk = 0.0025316 k( 214) = ( 0.4239434 0.4272083 0.1475481), wk = 0.0025316 k( 215) = ( 0.4180929 0.4369341 0.1588979), wk = 0.0025316 k( 216) = ( 0.4122424 0.4466599 0.1702478), wk = 0.0025316 k( 217) = ( 0.4063919 0.4563857 0.1815976), wk = 0.0025316 k( 218) = ( 0.4005414 0.4661114 0.1929475), wk = 0.0025316 k( 219) = ( 0.3946909 0.4758372 0.2042973), wk = 0.0025316 k( 220) = ( 0.3888404 0.4855630 0.2156472), wk = 0.0025316 k( 221) = ( 0.3829899 0.4952888 0.2269970), wk = 0.0025316 k( 222) = ( 0.3771394 0.5050145 0.2383469), wk = 0.0025316 k( 223) = ( 0.3712889 0.5147403 0.2496967), wk = 0.0025316 k( 224) = ( 0.3654384 0.5244661 0.2610466), wk = 0.0025316 k( 225) = ( 0.3595878 0.5341919 0.2723964), wk = 0.0025316 k( 226) = ( 0.3537373 0.5439176 0.2837463), wk = 0.0025316 k( 227) = ( 0.3478868 0.5536434 0.2950961), wk = 0.0025316 k( 228) = ( 0.3420363 0.5633692 0.3064460), wk = 0.0025316 k( 229) = ( 0.3361858 0.5730950 0.3177958), wk = 0.0025316 k( 230) = ( 0.3303353 0.5828207 0.3291457), wk = 0.0025316 k( 231) = ( 0.3244848 0.5925465 0.3404955), wk = 0.0025316 k( 232) = ( 0.3186343 0.6022723 0.3518454), wk = 0.0025316 k( 233) = ( 0.3127838 0.6119981 0.3631952), wk = 0.0025316 k( 234) = ( 0.3069333 0.6217238 0.3745451), wk = 0.0025316 k( 235) = ( 0.3010828 0.6314496 0.3858949), wk = 0.0025316 k( 236) = ( 0.2952323 0.6411754 0.3972448), wk = 0.0025316 k( 237) = ( 0.2952323 0.6411754 0.3972448), wk = 0.0025316 k( 238) = ( 0.2804707 0.6374157 0.4016323), wk = 0.0025316 k( 239) = ( 0.2657091 0.6336561 0.4060198), wk = 0.0025316 k( 240) = ( 0.2509474 0.6298964 0.4104072), wk = 0.0025316 k( 241) = ( 0.2361858 0.6261367 0.4147947), wk = 0.0025316 k( 242) = ( 0.2214242 0.6223771 0.4191822), wk = 0.0025316 k( 243) = ( 0.2066626 0.6186174 0.4235697), wk = 0.0025316 k( 244) = ( 0.1919010 0.6148577 0.4279572), wk = 0.0025316 k( 245) = ( 0.1771394 0.6110981 0.4323446), wk = 0.0025316 k( 246) = ( 0.1623777 0.6073384 0.4367321), wk = 0.0025316 k( 247) = ( 0.1476161 0.6035787 0.4411196), wk = 0.0025316 k( 248) = ( 0.1328545 0.5998191 0.4455071), wk = 0.0025316 k( 249) = ( 0.1180929 0.5960594 0.4498946), wk = 0.0025316 k( 250) = ( 0.1033313 0.5922997 0.4542820), wk = 0.0025316 k( 251) = ( 0.0885697 0.5885401 0.4586695), wk = 0.0025316 k( 252) = ( 0.0738081 0.5847804 0.4630570), wk = 0.0025316 k( 253) = ( 0.0590465 0.5810207 0.4674445), wk = 0.0025316 k( 254) = ( 0.0442848 0.5772611 0.4718320), wk = 0.0025316 k( 255) = ( 0.0295232 0.5735014 0.4762194), wk = 0.0025316 k( 256) = ( 0.0147616 0.5697417 0.4806069), wk = 0.0025316 k( 257) = ( 0.0000000 0.5659821 0.4849944), wk = 0.0025316 k( 258) = ( 0.0000000 0.5659821 0.4849944), wk = 0.0025316 k( 259) = ( 0.0058140 0.5563171 0.4962733), wk = 0.0025316 k( 260) = ( 0.0116279 0.5466521 0.5075523), wk = 0.0025316 k( 261) = ( 0.0174419 0.5369870 0.5188312), wk = 0.0025316 k( 262) = ( 0.0232558 0.5273220 0.5301102), wk = 0.0025316 k( 263) = ( 0.0290698 0.5176570 0.5413891), wk = 0.0025316 k( 264) = ( 0.0348837 0.5079920 0.5526680), wk = 0.0025316 k( 265) = ( 0.0406977 0.4983270 0.5639470), wk = 0.0025316 k( 266) = ( 0.0465116 0.4886620 0.5752259), wk = 0.0025316 k( 267) = ( 0.0523256 0.4789970 0.5865049), wk = 0.0025316 k( 268) = ( 0.0581395 0.4693320 0.5977838), wk = 0.0025316 k( 269) = ( 0.0639535 0.4596670 0.6090627), wk = 0.0025316 k( 270) = ( 0.0697674 0.4500020 0.6203417), wk = 0.0025316 k( 271) = ( 0.0755814 0.4403369 0.6316206), wk = 0.0025316 k( 272) = ( 0.0813954 0.4306719 0.6428996), wk = 0.0025316 k( 273) = ( 0.0872093 0.4210069 0.6541785), wk = 0.0025316 k( 274) = ( 0.0930233 0.4113419 0.6654574), wk = 0.0025316 k( 275) = ( 0.0988372 0.4016769 0.6767364), wk = 0.0025316 k( 276) = ( 0.1046512 0.3920119 0.6880153), wk = 0.0025316 k( 277) = ( 0.1104651 0.3823469 0.6992943), wk = 0.0025316 k( 278) = ( 0.1162791 0.3726819 0.7105732), wk = 0.0025316 k( 279) = ( 0.1220930 0.3630169 0.7218521), wk = 0.0025316 k( 280) = ( 0.1279070 0.3533518 0.7331311), wk = 0.0025316 k( 281) = ( 0.1337209 0.3436868 0.7444100), wk = 0.0025316 k( 282) = ( 0.1395349 0.3340218 0.7556889), wk = 0.0025316 k( 283) = ( 0.1453488 0.3243568 0.7669679), wk = 0.0025316 k( 284) = ( 0.1511628 0.3146918 0.7782468), wk = 0.0025316 k( 285) = ( 0.1569767 0.3050268 0.7895258), wk = 0.0025316 k( 286) = ( 0.1627907 0.2953618 0.8008047), wk = 0.0025316 k( 287) = ( 0.1686046 0.2856968 0.8120837), wk = 0.0025316 k( 288) = ( 0.1744186 0.2760318 0.8233626), wk = 0.0025316 k( 289) = ( 0.1802326 0.2663668 0.8346415), wk = 0.0025316 k( 290) = ( 0.1860465 0.2567018 0.8459205), wk = 0.0025316 k( 291) = ( 0.1918605 0.2470367 0.8571994), wk = 0.0025316 k( 292) = ( 0.1976744 0.2373717 0.8684784), wk = 0.0025316 k( 293) = ( 0.2034884 0.2277067 0.8797573), wk = 0.0025316 k( 294) = ( 0.2093023 0.2180417 0.8910362), wk = 0.0025316 k( 295) = ( 0.2151163 0.2083767 0.9023152), wk = 0.0025316 k( 296) = ( 0.2209302 0.1987117 0.9135941), wk = 0.0025316 k( 297) = ( 0.2267442 0.1890467 0.9248731), wk = 0.0025316 k( 298) = ( 0.2325581 0.1793817 0.9361520), wk = 0.0025316 k( 299) = ( 0.2383721 0.1697167 0.9474309), wk = 0.0025316 k( 300) = ( 0.2441860 0.1600516 0.9587099), wk = 0.0025316 k( 301) = ( 0.2500000 0.1503866 0.9699888), wk = 0.0025316 k( 302) = ( 0.2500000 0.1503866 0.9699888), wk = 0.0025316 k( 303) = ( 0.2613636 0.1572224 0.9620116), wk = 0.0025316 k( 304) = ( 0.2727273 0.1640581 0.9540343), wk = 0.0025316 k( 305) = ( 0.2840909 0.1708939 0.9460571), wk = 0.0025316 k( 306) = ( 0.2954545 0.1777297 0.9380799), wk = 0.0025316 k( 307) = ( 0.3068182 0.1845654 0.9301026), wk = 0.0025316 k( 308) = ( 0.3181818 0.1914012 0.9221254), wk = 0.0025316 k( 309) = ( 0.3295455 0.1982369 0.9141481), wk = 0.0025316 k( 310) = ( 0.3409091 0.2050727 0.9061709), wk = 0.0025316 k( 311) = ( 0.3522727 0.2119084 0.8981937), wk = 0.0025316 k( 312) = ( 0.3636364 0.2187442 0.8902164), wk = 0.0025316 k( 313) = ( 0.3750000 0.2255800 0.8822392), wk = 0.0025316 k( 314) = ( 0.3863636 0.2324157 0.8742620), wk = 0.0025316 k( 315) = ( 0.3977273 0.2392515 0.8662847), wk = 0.0025316 k( 316) = ( 0.4090909 0.2460872 0.8583075), wk = 0.0025316 k( 317) = ( 0.4204545 0.2529230 0.8503303), wk = 0.0025316 k( 318) = ( 0.4318182 0.2597587 0.8423530), wk = 0.0025316 k( 319) = ( 0.4431818 0.2665945 0.8343758), wk = 0.0025316 k( 320) = ( 0.4545455 0.2734302 0.8263985), wk = 0.0025316 k( 321) = ( 0.4659091 0.2802660 0.8184213), wk = 0.0025316 k( 322) = ( 0.4772727 0.2871018 0.8104441), wk = 0.0025316 k( 323) = ( 0.4886364 0.2939375 0.8024668), wk = 0.0025316 k( 324) = ( 0.5000000 0.3007733 0.7944896), wk = 0.0025316 k( 325) = ( 0.5000000 0.3007733 0.7944896), wk = 0.0025316 k( 326) = ( 0.5000000 0.3007733 0.7785998), wk = 0.0025316 k( 327) = ( 0.5000000 0.3007733 0.7627100), wk = 0.0025316 k( 328) = ( 0.5000000 0.3007733 0.7468202), wk = 0.0025316 k( 329) = ( 0.5000000 0.3007733 0.7309304), wk = 0.0025316 k( 330) = ( 0.5000000 0.3007733 0.7150406), wk = 0.0025316 k( 331) = ( 0.5000000 0.3007733 0.6991508), wk = 0.0025316 k( 332) = ( 0.5000000 0.3007733 0.6832610), wk = 0.0025316 k( 333) = ( 0.5000000 0.3007733 0.6673713), wk = 0.0025316 k( 334) = ( 0.5000000 0.3007733 0.6514815), wk = 0.0025316 k( 335) = ( 0.5000000 0.3007733 0.6355917), wk = 0.0025316 k( 336) = ( 0.5000000 0.3007733 0.6197019), wk = 0.0025316 k( 337) = ( 0.5000000 0.3007733 0.6038121), wk = 0.0025316 k( 338) = ( 0.5000000 0.3007733 0.5879223), wk = 0.0025316 k( 339) = ( 0.5000000 0.3007733 0.5720325), wk = 0.0025316 k( 340) = ( 0.5000000 0.3007733 0.5561427), wk = 0.0025316 k( 341) = ( 0.5000000 0.3007733 0.5402529), wk = 0.0025316 k( 342) = ( 0.5000000 0.3007733 0.5243631), wk = 0.0025316 k( 343) = ( 0.5000000 0.3007733 0.5084733), wk = 0.0025316 k( 344) = ( 0.5000000 0.3007733 0.4925835), wk = 0.0025316 k( 345) = ( 0.5000000 0.3007733 0.4766937), wk = 0.0025316 k( 346) = ( 0.5000000 0.3007733 0.4608040), wk = 0.0025316 k( 347) = ( 0.5000000 0.3007733 0.4449142), wk = 0.0025316 k( 348) = ( 0.5000000 0.3007733 0.4290244), wk = 0.0025316 k( 349) = ( 0.5000000 0.3007733 0.4131346), wk = 0.0025316 k( 350) = ( 0.5000000 0.3007733 0.3972448), wk = 0.0025316 k( 351) = ( 0.5000000 0.3007733 0.3813550), wk = 0.0025316 k( 352) = ( 0.5000000 0.3007733 0.3654652), wk = 0.0025316 k( 353) = ( 0.5000000 0.3007733 0.3495754), wk = 0.0025316 k( 354) = ( 0.5000000 0.3007733 0.3336856), wk = 0.0025316 k( 355) = ( 0.5000000 0.3007733 0.3177958), wk = 0.0025316 k( 356) = ( 0.5000000 0.3007733 0.3019060), wk = 0.0025316 k( 357) = ( 0.5000000 0.3007733 0.2860163), wk = 0.0025316 k( 358) = ( 0.5000000 0.3007733 0.2701265), wk = 0.0025316 k( 359) = ( 0.5000000 0.3007733 0.2542367), wk = 0.0025316 k( 360) = ( 0.5000000 0.3007733 0.2383469), wk = 0.0025316 k( 361) = ( 0.5000000 0.3007733 0.2224571), wk = 0.0025316 k( 362) = ( 0.5000000 0.3007733 0.2065673), wk = 0.0025316 k( 363) = ( 0.5000000 0.3007733 0.1906775), wk = 0.0025316 k( 364) = ( 0.5000000 0.3007733 0.1747877), wk = 0.0025316 k( 365) = ( 0.5000000 0.3007733 0.1588979), wk = 0.0025316 k( 366) = ( 0.5000000 0.3007733 0.1430081), wk = 0.0025316 k( 367) = ( 0.5000000 0.3007733 0.1271183), wk = 0.0025316 k( 368) = ( 0.5000000 0.3007733 0.1112285), wk = 0.0025316 k( 369) = ( 0.5000000 0.3007733 0.0953387), wk = 0.0025316 k( 370) = ( 0.5000000 0.3007733 0.0794490), wk = 0.0025316 k( 371) = ( 0.5000000 0.3007733 0.0635592), wk = 0.0025316 k( 372) = ( 0.5000000 0.3007733 0.0476694), wk = 0.0025316 k( 373) = ( 0.5000000 0.3007733 0.0317796), wk = 0.0025316 k( 374) = ( 0.5000000 0.3007733 0.0158898), wk = 0.0025316 k( 375) = ( 0.5000000 0.3007733 -0.0000000), wk = 0.0025316 k( 376) = ( 0.0000000 0.0000000 0.9699888), wk = 0.0025316 k( 377) = ( 0.0131579 0.0079151 0.9699888), wk = 0.0025316 k( 378) = ( 0.0263158 0.0158302 0.9699888), wk = 0.0025316 k( 379) = ( 0.0394737 0.0237453 0.9699888), wk = 0.0025316 k( 380) = ( 0.0526316 0.0316603 0.9699888), wk = 0.0025316 k( 381) = ( 0.0657895 0.0395754 0.9699888), wk = 0.0025316 k( 382) = ( 0.0789474 0.0474905 0.9699888), wk = 0.0025316 k( 383) = ( 0.0921053 0.0554056 0.9699888), wk = 0.0025316 k( 384) = ( 0.1052632 0.0633207 0.9699888), wk = 0.0025316 k( 385) = ( 0.1184210 0.0712358 0.9699888), wk = 0.0025316 k( 386) = ( 0.1315790 0.0791509 0.9699888), wk = 0.0025316 k( 387) = ( 0.1447368 0.0870659 0.9699888), wk = 0.0025316 k( 388) = ( 0.1578947 0.0949810 0.9699888), wk = 0.0025316 k( 389) = ( 0.1710526 0.1028961 0.9699888), wk = 0.0025316 k( 390) = ( 0.1842105 0.1108112 0.9699888), wk = 0.0025316 k( 391) = ( 0.1973684 0.1187263 0.9699888), wk = 0.0025316 k( 392) = ( 0.2105263 0.1266414 0.9699888), wk = 0.0025316 k( 393) = ( 0.2236842 0.1345565 0.9699888), wk = 0.0025316 k( 394) = ( 0.2368421 0.1424716 0.9699888), wk = 0.0025316 k( 395) = ( 0.2500000 0.1503866 0.9699888), wk = 0.0025316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 2) = ( 0.0000000 0.0000000 0.0081967), wk = 0.0025316 k( 3) = ( 0.0000000 0.0000000 0.0163934), wk = 0.0025316 k( 4) = ( 0.0000000 0.0000000 0.0245902), wk = 0.0025316 k( 5) = ( 0.0000000 0.0000000 0.0327869), wk = 0.0025316 k( 6) = ( 0.0000000 0.0000000 0.0409836), wk = 0.0025316 k( 7) = ( 0.0000000 0.0000000 0.0491803), wk = 0.0025316 k( 8) = ( 0.0000000 0.0000000 0.0573770), wk = 0.0025316 k( 9) = ( 0.0000000 0.0000000 0.0655738), wk = 0.0025316 k( 10) = ( 0.0000000 0.0000000 0.0737705), wk = 0.0025316 k( 11) = ( 0.0000000 0.0000000 0.0819672), wk = 0.0025316 k( 12) = ( 0.0000000 0.0000000 0.0901639), wk = 0.0025316 k( 13) = ( 0.0000000 0.0000000 0.0983607), wk = 0.0025316 k( 14) = ( 0.0000000 0.0000000 0.1065574), wk = 0.0025316 k( 15) = ( 0.0000000 0.0000000 0.1147541), wk = 0.0025316 k( 16) = ( 0.0000000 0.0000000 0.1229508), wk = 0.0025316 k( 17) = ( 0.0000000 0.0000000 0.1311475), wk = 0.0025316 k( 18) = ( 0.0000000 0.0000000 0.1393443), wk = 0.0025316 k( 19) = ( 0.0000000 0.0000000 0.1475410), wk = 0.0025316 k( 20) = ( 0.0000000 0.0000000 0.1557377), wk = 0.0025316 k( 21) = ( 0.0000000 0.0000000 0.1639344), wk = 0.0025316 k( 22) = ( 0.0000000 0.0000000 0.1721311), wk = 0.0025316 k( 23) = ( 0.0000000 0.0000000 0.1803279), wk = 0.0025316 k( 24) = ( 0.0000000 0.0000000 0.1885246), wk = 0.0025316 k( 25) = ( 0.0000000 0.0000000 0.1967213), wk = 0.0025316 k( 26) = ( 0.0000000 0.0000000 0.2049180), wk = 0.0025316 k( 27) = ( 0.0000000 0.0000000 0.2131147), wk = 0.0025316 k( 28) = ( 0.0000000 0.0000000 0.2213115), wk = 0.0025316 k( 29) = ( 0.0000000 0.0000000 0.2295082), wk = 0.0025316 k( 30) = ( 0.0000000 0.0000000 0.2377049), wk = 0.0025316 k( 31) = ( 0.0000000 0.0000000 0.2459016), wk = 0.0025316 k( 32) = ( 0.0000000 0.0000000 0.2540984), wk = 0.0025316 k( 33) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0025316 k( 34) = ( 0.0000000 0.0000000 0.2704918), wk = 0.0025316 k( 35) = ( 0.0000000 0.0000000 0.2786885), wk = 0.0025316 k( 36) = ( 0.0000000 0.0000000 0.2868852), wk = 0.0025316 k( 37) = ( 0.0000000 0.0000000 0.2950820), wk = 0.0025316 k( 38) = ( 0.0000000 0.0000000 0.3032787), wk = 0.0025316 k( 39) = ( 0.0000000 0.0000000 0.3114754), wk = 0.0025316 k( 40) = ( 0.0000000 0.0000000 0.3196721), wk = 0.0025316 k( 41) = ( 0.0000000 0.0000000 0.3278688), wk = 0.0025316 k( 42) = ( 0.0000000 0.0000000 0.3360656), wk = 0.0025316 k( 43) = ( 0.0000000 0.0000000 0.3442623), wk = 0.0025316 k( 44) = ( 0.0000000 0.0000000 0.3524590), wk = 0.0025316 k( 45) = ( 0.0000000 0.0000000 0.3606557), wk = 0.0025316 k( 46) = ( 0.0000000 0.0000000 0.3688525), wk = 0.0025316 k( 47) = ( 0.0000000 0.0000000 0.3770492), wk = 0.0025316 k( 48) = ( 0.0000000 0.0000000 0.3852459), wk = 0.0025316 k( 49) = ( 0.0000000 0.0000000 0.3934426), wk = 0.0025316 k( 50) = ( 0.0000000 0.0000000 0.4016393), wk = 0.0025316 k( 51) = ( 0.0000000 0.0000000 0.4098361), wk = 0.0025316 k( 52) = ( 0.0000000 0.0000000 0.4180328), wk = 0.0025316 k( 53) = ( 0.0000000 0.0000000 0.4262295), wk = 0.0025316 k( 54) = ( 0.0000000 0.0000000 0.4344262), wk = 0.0025316 k( 55) = ( 0.0000000 0.0000000 0.4426229), wk = 0.0025316 k( 56) = ( 0.0000000 0.0000000 0.4508197), wk = 0.0025316 k( 57) = ( 0.0000000 0.0000000 0.4590164), wk = 0.0025316 k( 58) = ( 0.0000000 0.0000000 0.4672131), wk = 0.0025316 k( 59) = ( 0.0000000 0.0000000 0.4754098), wk = 0.0025316 k( 60) = ( 0.0000000 0.0000000 0.4836066), wk = 0.0025316 k( 61) = ( 0.0000000 0.0000000 0.4918033), wk = 0.0025316 k( 62) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 64) = ( -0.0082241 0.0082241 0.5000000), wk = 0.0025316 k( 65) = ( -0.0164481 0.0164481 0.5000000), wk = 0.0025316 k( 66) = ( -0.0246722 0.0246722 0.5000000), wk = 0.0025316 k( 67) = ( -0.0328962 0.0328962 0.5000000), wk = 0.0025316 k( 68) = ( -0.0411202 0.0411202 0.5000000), wk = 0.0025316 k( 69) = ( -0.0493443 0.0493443 0.5000000), wk = 0.0025316 k( 70) = ( -0.0575684 0.0575684 0.5000000), wk = 0.0025316 k( 71) = ( -0.0657924 0.0657924 0.5000000), wk = 0.0025316 k( 72) = ( -0.0740165 0.0740165 0.5000000), wk = 0.0025316 k( 73) = ( -0.0822405 0.0822405 0.5000000), wk = 0.0025316 k( 74) = ( -0.0904646 0.0904646 0.5000000), wk = 0.0025316 k( 75) = ( -0.0904646 0.0904646 0.5000000), wk = 0.0025316 k( 76) = ( -0.0963151 0.0963151 0.4941495), wk = 0.0025316 k( 77) = ( -0.1021656 0.1021656 0.4882990), wk = 0.0025316 k( 78) = ( -0.1080161 0.1080161 0.4824485), wk = 0.0025316 k( 79) = ( -0.1138666 0.1138666 0.4765980), wk = 0.0025316 k( 80) = ( -0.1197171 0.1197171 0.4707475), wk = 0.0025316 k( 81) = ( -0.1255676 0.1255676 0.4648970), wk = 0.0025316 k( 82) = ( -0.1314181 0.1314181 0.4590465), wk = 0.0025316 k( 83) = ( -0.1372686 0.1372686 0.4531959), wk = 0.0025316 k( 84) = ( -0.1431191 0.1431191 0.4473454), wk = 0.0025316 k( 85) = ( -0.1489696 0.1489696 0.4414949), wk = 0.0025316 k( 86) = ( -0.1548201 0.1548201 0.4356444), wk = 0.0025316 k( 87) = ( -0.1606706 0.1606706 0.4297939), wk = 0.0025316 k( 88) = ( -0.1665211 0.1665211 0.4239434), wk = 0.0025316 k( 89) = ( -0.1723716 0.1723716 0.4180929), wk = 0.0025316 k( 90) = ( -0.1782221 0.1782221 0.4122424), wk = 0.0025316 k( 91) = ( -0.1840727 0.1840727 0.4063919), wk = 0.0025316 k( 92) = ( -0.1899232 0.1899232 0.4005414), wk = 0.0025316 k( 93) = ( -0.1957737 0.1957737 0.3946909), wk = 0.0025316 k( 94) = ( -0.2016242 0.2016242 0.3888404), wk = 0.0025316 k( 95) = ( -0.2074747 0.2074747 0.3829899), wk = 0.0025316 k( 96) = ( -0.2133252 0.2133252 0.3771394), wk = 0.0025316 k( 97) = ( -0.2191757 0.2191757 0.3712889), wk = 0.0025316 k( 98) = ( -0.2250262 0.2250262 0.3654384), wk = 0.0025316 k( 99) = ( -0.2308767 0.2308767 0.3595878), wk = 0.0025316 k( 100) = ( -0.2367272 0.2367272 0.3537373), wk = 0.0025316 k( 101) = ( -0.2425777 0.2425777 0.3478868), wk = 0.0025316 k( 102) = ( -0.2484282 0.2484282 0.3420363), wk = 0.0025316 k( 103) = ( -0.2542787 0.2542787 0.3361858), wk = 0.0025316 k( 104) = ( -0.2601292 0.2601292 0.3303353), wk = 0.0025316 k( 105) = ( -0.2659798 0.2659797 0.3244848), wk = 0.0025316 k( 106) = ( -0.2718302 0.2718302 0.3186343), wk = 0.0025316 k( 107) = ( -0.2776808 0.2776808 0.3127838), wk = 0.0025316 k( 108) = ( -0.2835313 0.2835313 0.3069333), wk = 0.0025316 k( 109) = ( -0.2893818 0.2893818 0.3010828), wk = 0.0025316 k( 110) = ( -0.2952323 0.2952323 0.2952323), wk = 0.0025316 k( 111) = ( -0.2952323 0.2952323 0.2952323), wk = 0.0025316 k( 112) = ( -0.2894434 0.2894434 0.2894434), wk = 0.0025316 k( 113) = ( -0.2836545 0.2836545 0.2836545), wk = 0.0025316 k( 114) = ( -0.2778657 0.2778657 0.2778657), wk = 0.0025316 k( 115) = ( -0.2720768 0.2720768 0.2720768), wk = 0.0025316 k( 116) = ( -0.2662879 0.2662879 0.2662879), wk = 0.0025316 k( 117) = ( -0.2604991 0.2604991 0.2604991), wk = 0.0025316 k( 118) = ( -0.2547102 0.2547102 0.2547102), wk = 0.0025316 k( 119) = ( -0.2489213 0.2489213 0.2489213), wk = 0.0025316 k( 120) = ( -0.2431325 0.2431325 0.2431325), wk = 0.0025316 k( 121) = ( -0.2373436 0.2373436 0.2373436), wk = 0.0025316 k( 122) = ( -0.2315547 0.2315547 0.2315547), wk = 0.0025316 k( 123) = ( -0.2257659 0.2257659 0.2257659), wk = 0.0025316 k( 124) = ( -0.2199770 0.2199770 0.2199770), wk = 0.0025316 k( 125) = ( -0.2141881 0.2141881 0.2141881), wk = 0.0025316 k( 126) = ( -0.2083993 0.2083993 0.2083993), wk = 0.0025316 k( 127) = ( -0.2026104 0.2026104 0.2026104), wk = 0.0025316 k( 128) = ( -0.1968215 0.1968215 0.1968215), wk = 0.0025316 k( 129) = ( -0.1910326 0.1910326 0.1910326), wk = 0.0025316 k( 130) = ( -0.1852438 0.1852438 0.1852438), wk = 0.0025316 k( 131) = ( -0.1794549 0.1794549 0.1794549), wk = 0.0025316 k( 132) = ( -0.1736660 0.1736660 0.1736660), wk = 0.0025316 k( 133) = ( -0.1678772 0.1678772 0.1678772), wk = 0.0025316 k( 134) = ( -0.1620883 0.1620883 0.1620883), wk = 0.0025316 k( 135) = ( -0.1562994 0.1562994 0.1562994), wk = 0.0025316 k( 136) = ( -0.1505106 0.1505106 0.1505106), wk = 0.0025316 k( 137) = ( -0.1447217 0.1447217 0.1447217), wk = 0.0025316 k( 138) = ( -0.1389328 0.1389328 0.1389328), wk = 0.0025316 k( 139) = ( -0.1331440 0.1331440 0.1331440), wk = 0.0025316 k( 140) = ( -0.1273551 0.1273551 0.1273551), wk = 0.0025316 k( 141) = ( -0.1215662 0.1215662 0.1215662), wk = 0.0025316 k( 142) = ( -0.1157774 0.1157774 0.1157774), wk = 0.0025316 k( 143) = ( -0.1099885 0.1099885 0.1099885), wk = 0.0025316 k( 144) = ( -0.1041996 0.1041996 0.1041996), wk = 0.0025316 k( 145) = ( -0.0984108 0.0984108 0.0984108), wk = 0.0025316 k( 146) = ( -0.0926219 0.0926219 0.0926219), wk = 0.0025316 k( 147) = ( -0.0868330 0.0868330 0.0868330), wk = 0.0025316 k( 148) = ( -0.0810442 0.0810442 0.0810442), wk = 0.0025316 k( 149) = ( -0.0752553 0.0752553 0.0752553), wk = 0.0025316 k( 150) = ( -0.0694664 0.0694664 0.0694664), wk = 0.0025316 k( 151) = ( -0.0636775 0.0636775 0.0636775), wk = 0.0025316 k( 152) = ( -0.0578887 0.0578887 0.0578887), wk = 0.0025316 k( 153) = ( -0.0520998 0.0520998 0.0520998), wk = 0.0025316 k( 154) = ( -0.0463109 0.0463109 0.0463109), wk = 0.0025316 k( 155) = ( -0.0405221 0.0405221 0.0405221), wk = 0.0025316 k( 156) = ( -0.0347332 0.0347332 0.0347332), wk = 0.0025316 k( 157) = ( -0.0289443 0.0289443 0.0289443), wk = 0.0025316 k( 158) = ( -0.0231555 0.0231555 0.0231555), wk = 0.0025316 k( 159) = ( -0.0173666 0.0173666 0.0173666), wk = 0.0025316 k( 160) = ( -0.0115777 0.0115777 0.0115777), wk = 0.0025316 k( 161) = ( -0.0057889 0.0057889 0.0057889), wk = 0.0025316 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025316 k( 164) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0025316 k( 165) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0025316 k( 166) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0025316 k( 167) = ( 0.0540540 0.0540540 -0.0540540), wk = 0.0025316 k( 168) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0025316 k( 169) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0025316 k( 170) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0025316 k( 171) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0025316 k( 172) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0025316 k( 173) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0025316 k( 174) = ( 0.1486486 0.1486486 -0.1486486), wk = 0.0025316 k( 175) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0025316 k( 176) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0025316 k( 177) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0025316 k( 178) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0025316 k( 179) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0025316 k( 180) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0025316 k( 181) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0025316 k( 182) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0025316 k( 183) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0025316 k( 184) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0025316 k( 185) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0025316 k( 186) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0025316 k( 187) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0025316 k( 188) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0025316 k( 189) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0025316 k( 190) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0025316 k( 191) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0025316 k( 192) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0025316 k( 193) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0025316 k( 194) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0025316 k( 195) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0025316 k( 196) = ( 0.4459459 0.4459459 -0.4459459), wk = 0.0025316 k( 197) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0025316 k( 198) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0025316 k( 199) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0025316 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025316 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025316 k( 202) = ( 0.4941495 0.5058505 -0.4941495), wk = 0.0025316 k( 203) = ( 0.4882990 0.5117010 -0.4882990), wk = 0.0025316 k( 204) = ( 0.4824485 0.5175515 -0.4824485), wk = 0.0025316 k( 205) = ( 0.4765980 0.5234020 -0.4765980), wk = 0.0025316 k( 206) = ( 0.4707475 0.5292525 -0.4707475), wk = 0.0025316 k( 207) = ( 0.4648970 0.5351030 -0.4648970), wk = 0.0025316 k( 208) = ( 0.4590465 0.5409535 -0.4590465), wk = 0.0025316 k( 209) = ( 0.4531960 0.5468040 -0.4531959), wk = 0.0025316 k( 210) = ( 0.4473454 0.5526546 -0.4473454), wk = 0.0025316 k( 211) = ( 0.4414949 0.5585051 -0.4414949), wk = 0.0025316 k( 212) = ( 0.4356444 0.5643556 -0.4356444), wk = 0.0025316 k( 213) = ( 0.4297939 0.5702061 -0.4297939), wk = 0.0025316 k( 214) = ( 0.4239434 0.5760566 -0.4239434), wk = 0.0025316 k( 215) = ( 0.4180929 0.5819071 -0.4180929), wk = 0.0025316 k( 216) = ( 0.4122424 0.5877576 -0.4122424), wk = 0.0025316 k( 217) = ( 0.4063919 0.5936081 -0.4063919), wk = 0.0025316 k( 218) = ( 0.4005414 0.5994586 -0.4005414), wk = 0.0025316 k( 219) = ( 0.3946909 0.6053091 -0.3946909), wk = 0.0025316 k( 220) = ( 0.3888404 0.6111596 -0.3888404), wk = 0.0025316 k( 221) = ( 0.3829899 0.6170101 -0.3829899), wk = 0.0025316 k( 222) = ( 0.3771394 0.6228606 -0.3771394), wk = 0.0025316 k( 223) = ( 0.3712889 0.6287111 -0.3712889), wk = 0.0025316 k( 224) = ( 0.3654384 0.6345616 -0.3654384), wk = 0.0025316 k( 225) = ( 0.3595878 0.6404121 -0.3595878), wk = 0.0025316 k( 226) = ( 0.3537373 0.6462627 -0.3537373), wk = 0.0025316 k( 227) = ( 0.3478868 0.6521132 -0.3478868), wk = 0.0025316 k( 228) = ( 0.3420363 0.6579637 -0.3420363), wk = 0.0025316 k( 229) = ( 0.3361858 0.6638142 -0.3361858), wk = 0.0025316 k( 230) = ( 0.3303353 0.6696647 -0.3303353), wk = 0.0025316 k( 231) = ( 0.3244848 0.6755152 -0.3244848), wk = 0.0025316 k( 232) = ( 0.3186343 0.6813657 -0.3186343), wk = 0.0025316 k( 233) = ( 0.3127838 0.6872162 -0.3127838), wk = 0.0025316 k( 234) = ( 0.3069333 0.6930667 -0.3069333), wk = 0.0025316 k( 235) = ( 0.3010828 0.6989172 -0.3010828), wk = 0.0025316 k( 236) = ( 0.2952323 0.7047677 -0.2952323), wk = 0.0025316 k( 237) = ( 0.2952323 0.7047677 -0.2952323), wk = 0.0025316 k( 238) = ( 0.2804707 0.6945293 -0.2804707), wk = 0.0025316 k( 239) = ( 0.2657091 0.6842909 -0.2657090), wk = 0.0025316 k( 240) = ( 0.2509474 0.6740526 -0.2509474), wk = 0.0025316 k( 241) = ( 0.2361858 0.6638142 -0.2361858), wk = 0.0025316 k( 242) = ( 0.2214242 0.6535758 -0.2214242), wk = 0.0025316 k( 243) = ( 0.2066626 0.6433374 -0.2066626), wk = 0.0025316 k( 244) = ( 0.1919010 0.6330990 -0.1919010), wk = 0.0025316 k( 245) = ( 0.1771394 0.6228606 -0.1771394), wk = 0.0025316 k( 246) = ( 0.1623777 0.6126223 -0.1623777), wk = 0.0025316 k( 247) = ( 0.1476161 0.6023839 -0.1476161), wk = 0.0025316 k( 248) = ( 0.1328545 0.5921455 -0.1328545), wk = 0.0025316 k( 249) = ( 0.1180929 0.5819071 -0.1180929), wk = 0.0025316 k( 250) = ( 0.1033313 0.5716687 -0.1033313), wk = 0.0025316 k( 251) = ( 0.0885697 0.5614303 -0.0885697), wk = 0.0025316 k( 252) = ( 0.0738081 0.5511919 -0.0738081), wk = 0.0025316 k( 253) = ( 0.0590465 0.5409535 -0.0590465), wk = 0.0025316 k( 254) = ( 0.0442848 0.5307152 -0.0442848), wk = 0.0025316 k( 255) = ( 0.0295232 0.5204768 -0.0295232), wk = 0.0025316 k( 256) = ( 0.0147616 0.5102384 -0.0147616), wk = 0.0025316 k( 257) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025316 k( 258) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025316 k( 259) = ( 0.0058140 0.4941860 0.0058140), wk = 0.0025316 k( 260) = ( 0.0116279 0.4883721 0.0116279), wk = 0.0025316 k( 261) = ( 0.0174419 0.4825581 0.0174419), wk = 0.0025316 k( 262) = ( 0.0232558 0.4767442 0.0232558), wk = 0.0025316 k( 263) = ( 0.0290698 0.4709302 0.0290698), wk = 0.0025316 k( 264) = ( 0.0348837 0.4651163 0.0348837), wk = 0.0025316 k( 265) = ( 0.0406977 0.4593023 0.0406977), wk = 0.0025316 k( 266) = ( 0.0465116 0.4534884 0.0465116), wk = 0.0025316 k( 267) = ( 0.0523256 0.4476744 0.0523256), wk = 0.0025316 k( 268) = ( 0.0581395 0.4418605 0.0581395), wk = 0.0025316 k( 269) = ( 0.0639535 0.4360465 0.0639535), wk = 0.0025316 k( 270) = ( 0.0697674 0.4302326 0.0697674), wk = 0.0025316 k( 271) = ( 0.0755814 0.4244186 0.0755814), wk = 0.0025316 k( 272) = ( 0.0813954 0.4186046 0.0813954), wk = 0.0025316 k( 273) = ( 0.0872093 0.4127907 0.0872093), wk = 0.0025316 k( 274) = ( 0.0930233 0.4069767 0.0930233), wk = 0.0025316 k( 275) = ( 0.0988372 0.4011628 0.0988372), wk = 0.0025316 k( 276) = ( 0.1046512 0.3953488 0.1046512), wk = 0.0025316 k( 277) = ( 0.1104651 0.3895349 0.1104651), wk = 0.0025316 k( 278) = ( 0.1162791 0.3837209 0.1162791), wk = 0.0025316 k( 279) = ( 0.1220930 0.3779070 0.1220930), wk = 0.0025316 k( 280) = ( 0.1279070 0.3720930 0.1279070), wk = 0.0025316 k( 281) = ( 0.1337209 0.3662791 0.1337209), wk = 0.0025316 k( 282) = ( 0.1395349 0.3604651 0.1395349), wk = 0.0025316 k( 283) = ( 0.1453488 0.3546512 0.1453488), wk = 0.0025316 k( 284) = ( 0.1511628 0.3488372 0.1511628), wk = 0.0025316 k( 285) = ( 0.1569767 0.3430233 0.1569767), wk = 0.0025316 k( 286) = ( 0.1627907 0.3372093 0.1627907), wk = 0.0025316 k( 287) = ( 0.1686046 0.3313953 0.1686047), wk = 0.0025316 k( 288) = ( 0.1744186 0.3255814 0.1744186), wk = 0.0025316 k( 289) = ( 0.1802326 0.3197674 0.1802326), wk = 0.0025316 k( 290) = ( 0.1860465 0.3139535 0.1860465), wk = 0.0025316 k( 291) = ( 0.1918605 0.3081395 0.1918605), wk = 0.0025316 k( 292) = ( 0.1976744 0.3023256 0.1976744), wk = 0.0025316 k( 293) = ( 0.2034884 0.2965116 0.2034884), wk = 0.0025316 k( 294) = ( 0.2093023 0.2906977 0.2093023), wk = 0.0025316 k( 295) = ( 0.2151163 0.2848837 0.2151163), wk = 0.0025316 k( 296) = ( 0.2209302 0.2790698 0.2209302), wk = 0.0025316 k( 297) = ( 0.2267442 0.2732558 0.2267442), wk = 0.0025316 k( 298) = ( 0.2325581 0.2674419 0.2325581), wk = 0.0025316 k( 299) = ( 0.2383721 0.2616279 0.2383721), wk = 0.0025316 k( 300) = ( 0.2441860 0.2558140 0.2441860), wk = 0.0025316 k( 301) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025316 k( 302) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025316 k( 303) = ( 0.2613636 0.2613636 0.2345243), wk = 0.0025316 k( 304) = ( 0.2727273 0.2727273 0.2190487), wk = 0.0025316 k( 305) = ( 0.2840909 0.2840909 0.2035730), wk = 0.0025316 k( 306) = ( 0.2954545 0.2954545 0.1880974), wk = 0.0025316 k( 307) = ( 0.3068182 0.3068182 0.1726217), wk = 0.0025316 k( 308) = ( 0.3181818 0.3181818 0.1571460), wk = 0.0025316 k( 309) = ( 0.3295455 0.3295454 0.1416704), wk = 0.0025316 k( 310) = ( 0.3409091 0.3409091 0.1261947), wk = 0.0025316 k( 311) = ( 0.3522727 0.3522727 0.1107190), wk = 0.0025316 k( 312) = ( 0.3636364 0.3636364 0.0952434), wk = 0.0025316 k( 313) = ( 0.3750000 0.3750000 0.0797677), wk = 0.0025316 k( 314) = ( 0.3863636 0.3863636 0.0642921), wk = 0.0025316 k( 315) = ( 0.3977273 0.3977273 0.0488164), wk = 0.0025316 k( 316) = ( 0.4090909 0.4090909 0.0333407), wk = 0.0025316 k( 317) = ( 0.4204545 0.4204545 0.0178651), wk = 0.0025316 k( 318) = ( 0.4318182 0.4318182 0.0023894), wk = 0.0025316 k( 319) = ( 0.4431818 0.4431818 -0.0130863), wk = 0.0025316 k( 320) = ( 0.4545455 0.4545454 -0.0285619), wk = 0.0025316 k( 321) = ( 0.4659091 0.4659091 -0.0440376), wk = 0.0025316 k( 322) = ( 0.4772727 0.4772727 -0.0595132), wk = 0.0025316 k( 323) = ( 0.4886364 0.4886364 -0.0749889), wk = 0.0025316 k( 324) = ( 0.5000000 0.5000000 -0.0904646), wk = 0.0025316 k( 325) = ( 0.5000000 0.5000000 -0.0904646), wk = 0.0025316 k( 326) = ( 0.5000000 0.5000000 -0.0986553), wk = 0.0025316 k( 327) = ( 0.5000000 0.5000000 -0.1068460), wk = 0.0025316 k( 328) = ( 0.5000000 0.5000000 -0.1150367), wk = 0.0025316 k( 329) = ( 0.5000000 0.5000000 -0.1232274), wk = 0.0025316 k( 330) = ( 0.5000000 0.5000000 -0.1314181), wk = 0.0025316 k( 331) = ( 0.5000000 0.5000000 -0.1396088), wk = 0.0025316 k( 332) = ( 0.5000000 0.5000000 -0.1477995), wk = 0.0025316 k( 333) = ( 0.5000000 0.5000000 -0.1559902), wk = 0.0025316 k( 334) = ( 0.5000000 0.5000000 -0.1641809), wk = 0.0025316 k( 335) = ( 0.5000000 0.5000000 -0.1723716), wk = 0.0025316 k( 336) = ( 0.5000000 0.5000000 -0.1805624), wk = 0.0025316 k( 337) = ( 0.5000000 0.5000000 -0.1887531), wk = 0.0025316 k( 338) = ( 0.5000000 0.5000000 -0.1969438), wk = 0.0025316 k( 339) = ( 0.5000000 0.5000000 -0.2051345), wk = 0.0025316 k( 340) = ( 0.5000000 0.5000000 -0.2133252), wk = 0.0025316 k( 341) = ( 0.5000000 0.5000000 -0.2215159), wk = 0.0025316 k( 342) = ( 0.5000000 0.5000000 -0.2297066), wk = 0.0025316 k( 343) = ( 0.5000000 0.5000000 -0.2378973), wk = 0.0025316 k( 344) = ( 0.5000000 0.5000000 -0.2460880), wk = 0.0025316 k( 345) = ( 0.5000000 0.5000000 -0.2542787), wk = 0.0025316 k( 346) = ( 0.5000000 0.5000000 -0.2624694), wk = 0.0025316 k( 347) = ( 0.5000000 0.5000000 -0.2706601), wk = 0.0025316 k( 348) = ( 0.5000000 0.5000000 -0.2788509), wk = 0.0025316 k( 349) = ( 0.5000000 0.5000000 -0.2870416), wk = 0.0025316 k( 350) = ( 0.5000000 0.5000000 -0.2952323), wk = 0.0025316 k( 351) = ( 0.5000000 0.5000000 -0.3034230), wk = 0.0025316 k( 352) = ( 0.5000000 0.5000000 -0.3116137), wk = 0.0025316 k( 353) = ( 0.5000000 0.5000000 -0.3198044), wk = 0.0025316 k( 354) = ( 0.5000000 0.5000000 -0.3279951), wk = 0.0025316 k( 355) = ( 0.5000000 0.5000000 -0.3361858), wk = 0.0025316 k( 356) = ( 0.5000000 0.5000000 -0.3443765), wk = 0.0025316 k( 357) = ( 0.5000000 0.5000000 -0.3525672), wk = 0.0025316 k( 358) = ( 0.5000000 0.5000000 -0.3607579), wk = 0.0025316 k( 359) = ( 0.5000000 0.5000000 -0.3689487), wk = 0.0025316 k( 360) = ( 0.5000000 0.5000000 -0.3771394), wk = 0.0025316 k( 361) = ( 0.5000000 0.5000000 -0.3853301), wk = 0.0025316 k( 362) = ( 0.5000000 0.5000000 -0.3935208), wk = 0.0025316 k( 363) = ( 0.5000000 0.5000000 -0.4017115), wk = 0.0025316 k( 364) = ( 0.5000000 0.5000000 -0.4099022), wk = 0.0025316 k( 365) = ( 0.5000000 0.5000000 -0.4180929), wk = 0.0025316 k( 366) = ( 0.5000000 0.5000000 -0.4262836), wk = 0.0025316 k( 367) = ( 0.5000000 0.5000000 -0.4344743), wk = 0.0025316 k( 368) = ( 0.5000000 0.5000000 -0.4426650), wk = 0.0025316 k( 369) = ( 0.5000000 0.5000000 -0.4508557), wk = 0.0025316 k( 370) = ( 0.5000000 0.5000000 -0.4590465), wk = 0.0025316 k( 371) = ( 0.5000000 0.5000000 -0.4672372), wk = 0.0025316 k( 372) = ( 0.5000000 0.5000000 -0.4754279), wk = 0.0025316 k( 373) = ( 0.5000000 0.5000000 -0.4836186), wk = 0.0025316 k( 374) = ( 0.5000000 0.5000000 -0.4918093), wk = 0.0025316 k( 375) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025316 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025316 k( 377) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0025316 k( 378) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0025316 k( 379) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0025316 k( 380) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0025316 k( 381) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0025316 k( 382) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0025316 k( 383) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0025316 k( 384) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0025316 k( 385) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0025316 k( 386) = ( 0.1315790 0.1315789 0.3684211), wk = 0.0025316 k( 387) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0025316 k( 388) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0025316 k( 389) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0025316 k( 390) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0025316 k( 391) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0025316 k( 392) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0025316 k( 393) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0025316 k( 394) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0025316 k( 395) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025316 Dense grid: 56101 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 416, 28) NL pseudopotentials 0.22 Mb ( 208, 70) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1559) G-vector shells 0.01 Mb ( 713) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 416, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.06 Mb ( 70, 2, 28) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li2CN2.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.8 secs Computing kpt #: 20 total cpu time spent up to now is 8.1 secs Computing kpt #: 21 total cpu time spent up to now is 8.4 secs Computing kpt #: 22 total cpu time spent up to now is 8.7 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.3 secs Computing kpt #: 25 total cpu time spent up to now is 9.6 secs Computing kpt #: 26 total cpu time spent up to now is 9.9 secs Computing kpt #: 27 total cpu time spent up to now is 10.2 secs Computing kpt #: 28 total cpu time spent up to now is 10.5 secs Computing kpt #: 29 total cpu time spent up to now is 10.8 secs Computing kpt #: 30 total cpu time spent up to now is 11.1 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.3 secs Computing kpt #: 35 total cpu time spent up to now is 12.6 secs Computing kpt #: 36 total cpu time spent up to now is 13.0 secs Computing kpt #: 37 total cpu time spent up to now is 13.3 secs Computing kpt #: 38 total cpu time spent up to now is 13.6 secs Computing kpt #: 39 total cpu time spent up to now is 13.9 secs Computing kpt #: 40 total cpu time spent up to now is 14.3 secs Computing kpt #: 41 total cpu time spent up to now is 14.6 secs Computing kpt #: 42 total cpu time spent up to now is 14.9 secs Computing kpt #: 43 total cpu time spent up to now is 15.2 secs Computing kpt #: 44 total cpu time spent up to now is 15.6 secs Computing kpt #: 45 total cpu time spent up to now is 15.9 secs Computing kpt #: 46 total cpu time spent up to now is 16.2 secs Computing kpt #: 47 total cpu time spent up to now is 16.5 secs Computing kpt #: 48 total cpu time spent up to now is 16.8 secs Computing kpt #: 49 total cpu time spent up to now is 17.1 secs Computing kpt #: 50 total cpu time spent up to now is 17.5 secs Computing kpt #: 51 total cpu time spent up to now is 17.8 secs Computing kpt #: 52 total cpu time spent up to now is 18.1 secs Computing kpt #: 53 total cpu time spent up to now is 18.4 secs Computing kpt #: 54 total cpu time spent up to now is 18.7 secs Computing kpt #: 55 total cpu time spent up to now is 19.0 secs Computing kpt #: 56 total cpu time spent up to now is 19.3 secs Computing kpt #: 57 total cpu time spent up to now is 19.7 secs Computing kpt #: 58 total cpu time spent up to now is 20.0 secs Computing kpt #: 59 total cpu time spent up to now is 20.3 secs Computing kpt #: 60 total cpu time spent up to now is 20.6 secs Computing kpt #: 61 total cpu time spent up to now is 20.9 secs Computing kpt #: 62 total cpu time spent up to now is 21.2 secs Computing kpt #: 63 total cpu time spent up to now is 21.5 secs Computing kpt #: 64 total cpu time spent up to now is 21.8 secs Computing kpt #: 65 total cpu time spent up to now is 22.1 secs Computing kpt #: 66 total cpu time spent up to now is 22.4 secs Computing kpt #: 67 total cpu time spent up to now is 22.7 secs Computing kpt #: 68 total cpu time spent up to now is 23.0 secs Computing kpt #: 69 total cpu time spent up to now is 23.3 secs Computing kpt #: 70 total cpu time spent up to now is 23.6 secs Computing kpt #: 71 total cpu time spent up to now is 24.0 secs Computing kpt #: 72 total cpu time spent up to now is 24.3 secs Computing kpt #: 73 total cpu time spent up to now is 24.6 secs Computing kpt #: 74 total cpu time spent up to now is 24.9 secs Computing kpt #: 75 total cpu time spent up to now is 25.3 secs Computing kpt #: 76 total cpu time spent up to now is 25.6 secs Computing kpt #: 77 total cpu time spent up to now is 25.9 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.6 secs Computing kpt #: 80 total cpu time spent up to now is 27.0 secs Computing kpt #: 81 total cpu time spent up to now is 27.3 secs Computing kpt #: 82 total cpu time spent up to now is 27.7 secs Computing kpt #: 83 total cpu time spent up to now is 28.0 secs Computing kpt #: 84 total cpu time spent up to now is 28.4 secs Computing kpt #: 85 total cpu time spent up to now is 28.7 secs Computing kpt #: 86 total cpu time spent up to now is 29.0 secs Computing kpt #: 87 total cpu time spent up to now is 29.4 secs Computing kpt #: 88 total cpu time spent up to now is 29.7 secs Computing kpt #: 89 total cpu time spent up to now is 30.0 secs Computing kpt #: 90 total cpu time spent up to now is 30.3 secs Computing kpt #: 91 total cpu time spent up to now is 30.7 secs Computing kpt #: 92 total cpu time spent up to now is 31.0 secs Computing kpt #: 93 total cpu time spent up to now is 31.3 secs Computing kpt #: 94 total cpu time spent up to now is 31.6 secs Computing kpt #: 95 total cpu time spent up to now is 31.9 secs Computing kpt #: 96 total cpu time spent up to now is 32.2 secs Computing kpt #: 97 total cpu time spent up to now is 32.5 secs Computing kpt #: 98 total cpu time spent up to now is 32.8 secs Computing kpt #: 99 total cpu time spent up to now is 33.1 secs Computing kpt #: 100 total cpu time spent up to now is 33.4 secs Computing kpt #: 101 total cpu time spent up to now is 33.7 secs Computing kpt #: 102 total cpu time spent up to now is 34.0 secs Computing kpt #: 103 total cpu time spent up to now is 34.3 secs Computing kpt #: 104 total cpu time spent up to now is 34.6 secs Computing kpt #: 105 total cpu time spent up to now is 34.9 secs Computing kpt #: 106 total cpu time spent up to now is 35.2 secs Computing kpt #: 107 total cpu time spent up to now is 35.5 secs Computing kpt #: 108 total cpu time spent up to now is 35.8 secs Computing kpt #: 109 total cpu time spent up to now is 36.1 secs Computing kpt #: 110 total cpu time spent up to now is 36.4 secs Computing kpt #: 111 total cpu time spent up to now is 36.7 secs Computing kpt #: 112 total cpu time spent up to now is 37.0 secs Computing kpt #: 113 total cpu time spent up to now is 37.3 secs Computing kpt #: 114 total cpu time spent up to now is 37.6 secs Computing kpt #: 115 total cpu time spent up to now is 37.9 secs Computing kpt #: 116 total cpu time spent up to now is 38.2 secs Computing kpt #: 117 total cpu time spent up to now is 38.5 secs Computing kpt #: 118 total cpu time spent up to now is 38.8 secs Computing kpt #: 119 total cpu time spent up to now is 39.1 secs Computing kpt #: 120 total cpu time spent up to now is 39.3 secs Computing kpt #: 121 total cpu time spent up to now is 39.6 secs Computing kpt #: 122 total cpu time spent up to now is 39.9 secs Computing kpt #: 123 total cpu time spent up to now is 40.2 secs Computing kpt #: 124 total cpu time spent up to now is 40.5 secs Computing kpt #: 125 total cpu time spent up to now is 40.9 secs Computing kpt #: 126 total cpu time spent up to now is 41.2 secs Computing kpt #: 127 total cpu time spent up to now is 41.5 secs Computing kpt #: 128 total cpu time spent up to now is 41.8 secs Computing kpt #: 129 total cpu time spent up to now is 42.1 secs Computing kpt #: 130 total cpu time spent up to now is 42.5 secs Computing kpt #: 131 total cpu time spent up to now is 42.9 secs Computing kpt #: 132 total cpu time spent up to now is 43.3 secs Computing kpt #: 133 total cpu time spent up to now is 43.6 secs Computing kpt #: 134 total cpu time spent up to now is 44.0 secs Computing kpt #: 135 total cpu time spent up to now is 44.3 secs Computing kpt #: 136 total cpu time spent up to now is 44.6 secs Computing kpt #: 137 total cpu time spent up to now is 44.9 secs Computing kpt #: 138 total cpu time spent up to now is 45.2 secs Computing kpt #: 139 total cpu time spent up to now is 45.6 secs Computing kpt #: 140 total cpu time spent up to now is 46.1 secs Computing kpt #: 141 total cpu time spent up to now is 46.5 secs Computing kpt #: 142 total cpu time spent up to now is 46.9 secs Computing kpt #: 143 total cpu time spent up to now is 47.3 secs Computing kpt #: 144 total cpu time spent up to now is 47.6 secs Computing kpt #: 145 total cpu time spent up to now is 47.9 secs Computing kpt #: 146 total cpu time spent up to now is 48.2 secs Computing kpt #: 147 total cpu time spent up to now is 48.4 secs Computing kpt #: 148 total cpu time spent up to now is 48.7 secs Computing kpt #: 149 total cpu time spent up to now is 49.0 secs Computing kpt #: 150 total cpu time spent up to now is 49.3 secs Computing kpt #: 151 total cpu time spent up to now is 49.6 secs Computing kpt #: 152 total cpu time spent up to now is 49.9 secs Computing kpt #: 153 total cpu time spent up to now is 50.2 secs Computing kpt #: 154 total cpu time spent up to now is 50.4 secs Computing kpt #: 155 total cpu time spent up to now is 50.7 secs Computing kpt #: 156 total cpu time spent up to now is 51.0 secs Computing kpt #: 157 total cpu time spent up to now is 51.3 secs Computing kpt #: 158 total cpu time spent up to now is 51.6 secs Computing kpt #: 159 total cpu time spent up to now is 51.9 secs Computing kpt #: 160 total cpu time spent up to now is 52.1 secs Computing kpt #: 161 total cpu time spent up to now is 52.4 secs Computing kpt #: 162 total cpu time spent up to now is 52.7 secs Computing kpt #: 163 total cpu time spent up to now is 53.0 secs Computing kpt #: 164 total cpu time spent up to now is 53.3 secs Computing kpt #: 165 total cpu time spent up to now is 53.6 secs Computing kpt #: 166 total cpu time spent up to now is 53.8 secs Computing kpt #: 167 total cpu time spent up to now is 54.1 secs Computing kpt #: 168 total cpu time spent up to now is 54.4 secs Computing kpt #: 169 total cpu time spent up to now is 54.7 secs Computing kpt #: 170 total cpu time spent up to now is 55.0 secs Computing kpt #: 171 total cpu time spent up to now is 55.3 secs Computing kpt #: 172 total cpu time spent up to now is 55.6 secs Computing kpt #: 173 total cpu time spent up to now is 55.9 secs Computing kpt #: 174 total cpu time spent up to now is 56.2 secs Computing kpt #: 175 total cpu time spent up to now is 56.5 secs Computing kpt #: 176 total cpu time spent up to now is 56.8 secs Computing kpt #: 177 total cpu time spent up to now is 57.1 secs Computing kpt #: 178 total cpu time spent up to now is 57.4 secs Computing kpt #: 179 total cpu time spent up to now is 57.6 secs Computing kpt #: 180 total cpu time spent up to now is 57.9 secs Computing kpt #: 181 total cpu time spent up to now is 58.2 secs Computing kpt #: 182 total cpu time spent up to now is 58.5 secs Computing kpt #: 183 total cpu time spent up to now is 58.8 secs Computing kpt #: 184 total cpu time spent up to now is 59.1 secs Computing kpt #: 185 total cpu time spent up to now is 59.4 secs Computing kpt #: 186 total cpu time spent up to now is 59.7 secs Computing kpt #: 187 total cpu time spent up to now is 60.0 secs Computing kpt #: 188 total cpu time spent up to now is 60.3 secs Computing kpt #: 189 total cpu time spent up to now is 60.6 secs Computing kpt #: 190 total cpu time spent up to now is 60.9 secs Computing kpt #: 191 total cpu time spent up to now is 61.2 secs Computing kpt #: 192 total cpu time spent up to now is 61.5 secs Computing kpt #: 193 total cpu time spent up to now is 61.8 secs Computing kpt #: 194 total cpu time spent up to now is 62.1 secs Computing kpt #: 195 total cpu time spent up to now is 62.4 secs Computing kpt #: 196 total cpu time spent up to now is 62.7 secs Computing kpt #: 197 total cpu time spent up to now is 63.0 secs Computing kpt #: 198 total cpu time spent up to now is 63.3 secs Computing kpt #: 199 total cpu time spent up to now is 63.6 secs Computing kpt #: 200 total cpu time spent up to now is 63.9 secs Computing kpt #: 201 total cpu time spent up to now is 64.1 secs Computing kpt #: 202 total cpu time spent up to now is 64.4 secs Computing kpt #: 203 total cpu time spent up to now is 64.7 secs Computing kpt #: 204 total cpu time spent up to now is 65.0 secs Computing kpt #: 205 total cpu time spent up to now is 65.3 secs Computing kpt #: 206 total cpu time spent up to now is 65.5 secs Computing kpt #: 207 total cpu time spent up to now is 65.8 secs Computing kpt #: 208 total cpu time spent up to now is 66.1 secs Computing kpt #: 209 total cpu time spent up to now is 66.4 secs Computing kpt #: 210 total cpu time spent up to now is 66.7 secs Computing kpt #: 211 total cpu time spent up to now is 67.0 secs Computing kpt #: 212 total cpu time spent up to now is 67.2 secs Computing kpt #: 213 total cpu time spent up to now is 67.5 secs Computing kpt #: 214 total cpu time spent up to now is 67.8 secs Computing kpt #: 215 total cpu time spent up to now is 68.1 secs Computing kpt #: 216 total cpu time spent up to now is 68.4 secs Computing kpt #: 217 total cpu time spent up to now is 68.7 secs Computing kpt #: 218 total cpu time spent up to now is 69.0 secs Computing kpt #: 219 total cpu time spent up to now is 69.3 secs Computing kpt #: 220 total cpu time spent up to now is 69.6 secs Computing kpt #: 221 total cpu time spent up to now is 69.9 secs Computing kpt #: 222 total cpu time spent up to now is 70.2 secs Computing kpt #: 223 total cpu time spent up to now is 70.7 secs Computing kpt #: 224 total cpu time spent up to now is 71.2 secs Computing kpt #: 225 total cpu time spent up to now is 71.6 secs Computing kpt #: 226 total cpu time spent up to now is 72.0 secs Computing kpt #: 227 total cpu time spent up to now is 72.4 secs Computing kpt #: 228 total cpu time spent up to now is 72.7 secs Computing kpt #: 229 total cpu time spent up to now is 73.1 secs Computing kpt #: 230 total cpu time spent up to now is 73.4 secs Computing kpt #: 231 total cpu time spent up to now is 73.8 secs Computing kpt #: 232 total cpu time spent up to now is 74.1 secs Computing kpt #: 233 total cpu time spent up to now is 74.4 secs Computing kpt #: 234 total cpu time spent up to now is 74.7 secs Computing kpt #: 235 total cpu time spent up to now is 75.0 secs Computing kpt #: 236 total cpu time spent up to now is 75.3 secs Computing kpt #: 237 total cpu time spent up to now is 75.5 secs Computing kpt #: 238 total cpu time spent up to now is 75.8 secs Computing kpt #: 239 total cpu time spent up to now is 76.1 secs Computing kpt #: 240 total cpu time spent up to now is 76.4 secs Computing kpt #: 241 total cpu time spent up to now is 76.8 secs Computing kpt #: 242 total cpu time spent up to now is 77.1 secs Computing kpt #: 243 total cpu time spent up to now is 77.4 secs Computing kpt #: 244 total cpu time spent up to now is 77.7 secs Computing kpt #: 245 total cpu time spent up to now is 78.0 secs Computing kpt #: 246 total cpu time spent up to now is 78.4 secs Computing kpt #: 247 total cpu time spent up to now is 78.7 secs Computing kpt #: 248 total cpu time spent up to now is 79.0 secs Computing kpt #: 249 total cpu time spent up to now is 79.4 secs Computing kpt #: 250 total cpu time spent up to now is 79.7 secs Computing kpt #: 251 total cpu time spent up to now is 80.0 secs Computing kpt #: 252 total cpu time spent up to now is 80.3 secs Computing kpt #: 253 total cpu time spent up to now is 80.6 secs Computing kpt #: 254 total cpu time spent up to now is 81.0 secs Computing kpt #: 255 total cpu time spent up to now is 81.3 secs Computing kpt #: 256 total cpu time spent up to now is 81.6 secs Computing kpt #: 257 total cpu time spent up to now is 81.9 secs Computing kpt #: 258 total cpu time spent up to now is 82.2 secs Computing kpt #: 259 total cpu time spent up to now is 82.6 secs Computing kpt #: 260 total cpu time spent up to now is 82.9 secs Computing kpt #: 261 total cpu time spent up to now is 83.2 secs Computing kpt #: 262 total cpu time spent up to now is 83.5 secs Computing kpt #: 263 total cpu time spent up to now is 83.8 secs Computing kpt #: 264 total cpu time spent up to now is 84.2 secs Computing kpt #: 265 total cpu time spent up to now is 84.5 secs Computing kpt #: 266 total cpu time spent up to now is 84.8 secs Computing kpt #: 267 total cpu time spent up to now is 85.1 secs Computing kpt #: 268 total cpu time spent up to now is 85.5 secs Computing kpt #: 269 total cpu time spent up to now is 85.8 secs Computing kpt #: 270 total cpu time spent up to now is 86.1 secs Computing kpt #: 271 total cpu time spent up to now is 86.5 secs Computing kpt #: 272 total cpu time spent up to now is 86.8 secs Computing kpt #: 273 total cpu time spent up to now is 87.2 secs Computing kpt #: 274 total cpu time spent up to now is 87.5 secs Computing kpt #: 275 total cpu time spent up to now is 87.8 secs Computing kpt #: 276 total cpu time spent up to now is 88.2 secs Computing kpt #: 277 total cpu time spent up to now is 88.5 secs Computing kpt #: 278 total cpu time spent up to now is 88.9 secs Computing kpt #: 279 total cpu time spent up to now is 89.2 secs Computing kpt #: 280 total cpu time spent up to now is 89.6 secs Computing kpt #: 281 total cpu time spent up to now is 89.9 secs Computing kpt #: 282 total cpu time spent up to now is 90.2 secs Computing kpt #: 283 total cpu time spent up to now is 90.6 secs Computing kpt #: 284 total cpu time spent up to now is 90.9 secs Computing kpt #: 285 total cpu time spent up to now is 91.3 secs Computing kpt #: 286 total cpu time spent up to now is 91.6 secs Computing kpt #: 287 total cpu time spent up to now is 91.9 secs Computing kpt #: 288 total cpu time spent up to now is 92.3 secs Computing kpt #: 289 total cpu time spent up to now is 92.6 secs Computing kpt #: 290 total cpu time spent up to now is 93.0 secs Computing kpt #: 291 total cpu time spent up to now is 93.3 secs Computing kpt #: 292 total cpu time spent up to now is 93.6 secs Computing kpt #: 293 total cpu time spent up to now is 93.9 secs Computing kpt #: 294 total cpu time spent up to now is 94.3 secs Computing kpt #: 295 total cpu time spent up to now is 94.6 secs Computing kpt #: 296 total cpu time spent up to now is 94.9 secs Computing kpt #: 297 total cpu time spent up to now is 95.2 secs Computing kpt #: 298 total cpu time spent up to now is 95.5 secs Computing kpt #: 299 total cpu time spent up to now is 95.8 secs Computing kpt #: 300 total cpu time spent up to now is 96.1 secs Computing kpt #: 301 total cpu time spent up to now is 96.4 secs Computing kpt #: 302 total cpu time spent up to now is 96.7 secs Computing kpt #: 303 total cpu time spent up to now is 97.0 secs Computing kpt #: 304 total cpu time spent up to now is 97.3 secs Computing kpt #: 305 total cpu time spent up to now is 97.7 secs Computing kpt #: 306 total cpu time spent up to now is 98.0 secs Computing kpt #: 307 total cpu time spent up to now is 98.3 secs Computing kpt #: 308 total cpu time spent up to now is 98.6 secs Computing kpt #: 309 total cpu time spent up to now is 98.9 secs Computing kpt #: 310 total cpu time spent up to now is 99.2 secs Computing kpt #: 311 total cpu time spent up to now is 99.5 secs Computing kpt #: 312 total cpu time spent up to now is 99.9 secs Computing kpt #: 313 total cpu time spent up to now is 100.2 secs Computing kpt #: 314 total cpu time spent up to now is 100.5 secs Computing kpt #: 315 total cpu time spent up to now is 100.8 secs Computing kpt #: 316 total cpu time spent up to now is 101.2 secs Computing kpt #: 317 total cpu time spent up to now is 101.5 secs Computing kpt #: 318 total cpu time spent up to now is 101.8 secs Computing kpt #: 319 total cpu time spent up to now is 102.2 secs Computing kpt #: 320 total cpu time spent up to now is 102.5 secs Computing kpt #: 321 total cpu time spent up to now is 102.8 secs Computing kpt #: 322 total cpu time spent up to now is 103.2 secs Computing kpt #: 323 total cpu time spent up to now is 103.5 secs Computing kpt #: 324 total cpu time spent up to now is 103.8 secs Computing kpt #: 325 total cpu time spent up to now is 104.1 secs Computing kpt #: 326 total cpu time spent up to now is 104.5 secs Computing kpt #: 327 total cpu time spent up to now is 104.8 secs Computing kpt #: 328 total cpu time spent up to now is 105.1 secs Computing kpt #: 329 total cpu time spent up to now is 105.5 secs Computing kpt #: 330 total cpu time spent up to now is 105.8 secs Computing kpt #: 331 total cpu time spent up to now is 106.2 secs Computing kpt #: 332 total cpu time spent up to now is 106.5 secs Computing kpt #: 333 total cpu time spent up to now is 107.0 secs Computing kpt #: 334 total cpu time spent up to now is 107.4 secs Computing kpt #: 335 total cpu time spent up to now is 107.8 secs Computing kpt #: 336 total cpu time spent up to now is 108.2 secs Computing kpt #: 337 total cpu time spent up to now is 108.6 secs Computing kpt #: 338 total cpu time spent up to now is 109.0 secs Computing kpt #: 339 total cpu time spent up to now is 109.4 secs Computing kpt #: 340 total cpu time spent up to now is 109.9 secs Computing kpt #: 341 total cpu time spent up to now is 110.3 secs Computing kpt #: 342 total cpu time spent up to now is 110.7 secs Computing kpt #: 343 total cpu time spent up to now is 111.1 secs Computing kpt #: 344 total cpu time spent up to now is 111.5 secs Computing kpt #: 345 total cpu time spent up to now is 111.9 secs Computing kpt #: 346 total cpu time spent up to now is 112.2 secs Computing kpt #: 347 total cpu time spent up to now is 112.5 secs Computing kpt #: 348 total cpu time spent up to now is 112.8 secs Computing kpt #: 349 total cpu time spent up to now is 113.2 secs Computing kpt #: 350 total cpu time spent up to now is 113.5 secs Computing kpt #: 351 total cpu time spent up to now is 113.8 secs Computing kpt #: 352 total cpu time spent up to now is 114.1 secs Computing kpt #: 353 total cpu time spent up to now is 114.4 secs Computing kpt #: 354 total cpu time spent up to now is 114.7 secs Computing kpt #: 355 total cpu time spent up to now is 115.0 secs Computing kpt #: 356 total cpu time spent up to now is 115.3 secs Computing kpt #: 357 total cpu time spent up to now is 115.6 secs Computing kpt #: 358 total cpu time spent up to now is 115.9 secs Computing kpt #: 359 total cpu time spent up to now is 116.2 secs Computing kpt #: 360 total cpu time spent up to now is 116.5 secs Computing kpt #: 361 total cpu time spent up to now is 116.8 secs Computing kpt #: 362 total cpu time spent up to now is 117.1 secs Computing kpt #: 363 total cpu time spent up to now is 117.4 secs Computing kpt #: 364 total cpu time spent up to now is 117.7 secs Computing kpt #: 365 total cpu time spent up to now is 118.0 secs Computing kpt #: 366 total cpu time spent up to now is 118.2 secs Computing kpt #: 367 total cpu time spent up to now is 118.5 secs Computing kpt #: 368 total cpu time spent up to now is 118.8 secs Computing kpt #: 369 total cpu time spent up to now is 119.1 secs Computing kpt #: 370 total cpu time spent up to now is 119.4 secs Computing kpt #: 371 total cpu time spent up to now is 119.6 secs Computing kpt #: 372 total cpu time spent up to now is 119.9 secs Computing kpt #: 373 total cpu time spent up to now is 120.2 secs Computing kpt #: 374 total cpu time spent up to now is 120.5 secs Computing kpt #: 375 total cpu time spent up to now is 120.7 secs Computing kpt #: 376 total cpu time spent up to now is 121.0 secs Computing kpt #: 377 total cpu time spent up to now is 121.3 secs Computing kpt #: 378 total cpu time spent up to now is 121.7 secs Computing kpt #: 379 total cpu time spent up to now is 122.0 secs Computing kpt #: 380 total cpu time spent up to now is 122.3 secs Computing kpt #: 381 total cpu time spent up to now is 122.6 secs Computing kpt #: 382 total cpu time spent up to now is 122.9 secs Computing kpt #: 383 total cpu time spent up to now is 123.2 secs Computing kpt #: 384 total cpu time spent up to now is 123.5 secs Computing kpt #: 385 total cpu time spent up to now is 123.8 secs Computing kpt #: 386 total cpu time spent up to now is 124.1 secs Computing kpt #: 387 total cpu time spent up to now is 124.4 secs Computing kpt #: 388 total cpu time spent up to now is 124.7 secs Computing kpt #: 389 total cpu time spent up to now is 125.0 secs Computing kpt #: 390 total cpu time spent up to now is 125.3 secs Computing kpt #: 391 total cpu time spent up to now is 125.6 secs Computing kpt #: 392 total cpu time spent up to now is 125.9 secs Computing kpt #: 393 total cpu time spent up to now is 126.2 secs Computing kpt #: 394 total cpu time spent up to now is 126.5 secs Computing kpt #: 395 total cpu time spent up to now is 126.8 secs ethr = 5.00E-08, avg # of iterations = 12.5 total cpu time spent up to now is 126.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7099 PWs) bands (ev): -41.8127 -41.8127 -41.7387 -41.7387 -15.7497 -15.7497 -13.6448 -13.6448 -4.0972 -4.0972 -2.0670 -2.0670 -2.0583 -2.0583 -1.5268 -1.5268 0.5880 0.5880 0.5976 0.5976 5.8648 5.8648 8.6043 8.6043 9.0821 9.0821 9.0939 9.0939 k = 0.0000 0.0000 0.0159 ( 7075 PWs) bands (ev): -41.8127 -41.8127 -41.7387 -41.7387 -15.7496 -15.7496 -13.6448 -13.6448 -4.0971 -4.0971 -2.0677 -2.0677 -2.0590 -2.0590 -1.5278 -1.5278 0.5883 0.5883 0.5979 0.5979 5.8673 5.8673 8.6069 8.6069 9.0812 9.0812 9.0931 9.0931 k = 0.0000 0.0000 0.0318 ( 7067 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.7492 -15.7492 -13.6448 -13.6448 -4.0966 -4.0966 -2.0697 -2.0697 -2.0610 -2.0610 -1.5311 -1.5311 0.5891 0.5891 0.5990 0.5990 5.8747 5.8747 8.6147 8.6147 9.0783 9.0783 9.0911 9.0911 k = 0.0000 0.0000 0.0477 ( 7063 PWs) bands (ev): -41.8125 -41.8125 -41.7388 -41.7388 -15.7486 -15.7486 -13.6448 -13.6448 -4.0959 -4.0959 -2.0731 -2.0731 -2.0642 -2.0642 -1.5364 -1.5364 0.5898 0.5898 0.6014 0.6014 5.8872 5.8872 8.6276 8.6276 9.0726 9.0726 9.0885 9.0885 k = 0.0000 0.0000 0.0636 ( 7055 PWs) bands (ev): -41.8123 -41.8123 -41.7390 -41.7390 -15.7478 -15.7478 -13.6449 -13.6449 -4.0949 -4.0949 -2.0779 -2.0779 -2.0685 -2.0685 -1.5439 -1.5439 0.5901 0.5901 0.6053 0.6053 5.9045 5.9045 8.6457 8.6457 9.0637 9.0637 9.0860 9.0860 k = 0.0000 0.0000 0.0795 ( 7063 PWs) bands (ev): -41.8121 -41.8121 -41.7392 -41.7392 -15.7467 -15.7467 -13.6449 -13.6449 -4.0936 -4.0936 -2.0843 -2.0843 -2.0739 -2.0739 -1.5533 -1.5533 0.5901 0.5901 0.6108 0.6108 5.9267 5.9267 8.6688 8.6688 9.0517 9.0517 9.0835 9.0835 k = 0.0000 0.0000 0.0954 ( 7052 PWs) bands (ev): -41.8118 -41.8118 -41.7395 -41.7395 -15.7454 -15.7454 -13.6450 -13.6450 -4.0919 -4.0919 -2.0922 -2.0922 -2.0803 -2.0803 -1.5647 -1.5647 0.5898 0.5898 0.6176 0.6176 5.9536 5.9536 8.6971 8.6971 9.0368 9.0368 9.0807 9.0807 k = 0.0000 0.0000 0.1113 ( 7036 PWs) bands (ev): -41.8114 -41.8114 -41.7397 -41.7397 -15.7439 -15.7439 -13.6451 -13.6451 -4.0900 -4.0900 -2.1016 -2.1016 -2.0875 -2.0875 -1.5780 -1.5780 0.5892 0.5892 0.6257 0.6257 5.9852 5.9852 8.7303 8.7303 9.0193 9.0193 9.0777 9.0777 k = 0.0000 0.0000 0.1272 ( 7038 PWs) bands (ev): -41.8111 -41.8111 -41.7401 -41.7401 -15.7421 -15.7421 -13.6451 -13.6451 -4.0879 -4.0879 -2.1124 -2.1124 -2.0957 -2.0957 -1.5930 -1.5930 0.5884 0.5884 0.6350 0.6350 6.0214 6.0214 8.7684 8.7684 8.9991 8.9991 9.0744 9.0744 k = 0.0000 0.0000 0.1431 ( 7030 PWs) bands (ev): -41.8106 -41.8106 -41.7404 -41.7404 -15.7401 -15.7401 -13.6452 -13.6452 -4.0854 -4.0854 -2.1245 -2.1245 -2.1048 -2.1048 -1.6096 -1.6096 0.5875 0.5875 0.6453 0.6453 6.0620 6.0620 8.8114 8.8114 8.9766 8.9766 9.0708 9.0708 k = 0.0000 0.0000 0.1590 ( 7034 PWs) bands (ev): -41.8102 -41.8102 -41.7409 -41.7409 -15.7379 -15.7379 -13.6453 -13.6453 -4.0826 -4.0826 -2.1380 -2.1380 -2.1148 -2.1148 -1.6278 -1.6278 0.5864 0.5864 0.6565 0.6565 6.1069 6.1069 8.8591 8.8591 8.9517 8.9517 9.0669 9.0669 k = 0.0000 0.0000 0.1749 ( 7030 PWs) bands (ev): -41.8096 -41.8096 -41.7413 -41.7413 -15.7356 -15.7356 -13.6455 -13.6455 -4.0796 -4.0796 -2.1526 -2.1526 -2.1257 -2.1257 -1.6474 -1.6474 0.5852 0.5852 0.6687 0.6687 6.1559 6.1559 8.9114 8.9114 8.9247 8.9247 9.0628 9.0628 k = 0.0000 0.0000 0.1908 ( 7032 PWs) bands (ev): -41.8091 -41.8091 -41.7418 -41.7418 -15.7330 -15.7330 -13.6456 -13.6456 -4.0763 -4.0763 -2.1683 -2.1683 -2.1374 -2.1374 -1.6682 -1.6682 0.5839 0.5839 0.6815 0.6815 6.2089 6.2089 8.8956 8.8956 8.9684 8.9684 9.0584 9.0584 k = 0.0000 0.0000 0.2067 ( 7034 PWs) bands (ev): -41.8085 -41.8085 -41.7424 -41.7424 -15.7302 -15.7302 -13.6457 -13.6457 -4.0726 -4.0726 -2.1851 -2.1851 -2.1499 -2.1499 -1.6902 -1.6902 0.5824 0.5824 0.6951 0.6951 6.2656 6.2656 8.8646 8.8646 9.0296 9.0296 9.0538 9.0538 k = 0.0000 0.0000 0.2226 ( 7030 PWs) bands (ev): -41.8078 -41.8078 -41.7429 -41.7429 -15.7272 -15.7272 -13.6459 -13.6459 -4.0687 -4.0687 -2.2027 -2.2027 -2.1632 -2.1632 -1.7133 -1.7133 0.5808 0.5808 0.7093 0.7093 6.3258 6.3258 8.8319 8.8319 9.0489 9.0489 9.0952 9.0952 k = 0.0000 0.0000 0.2385 ( 7040 PWs) bands (ev): -41.8071 -41.8071 -41.7436 -41.7436 -15.7240 -15.7240 -13.6461 -13.6461 -4.0646 -4.0646 -2.2212 -2.2212 -2.1773 -2.1773 -1.7372 -1.7372 0.5792 0.5792 0.7240 0.7240 6.3893 6.3893 8.7976 8.7976 9.0439 9.0439 9.1648 9.1648 k = 0.0000 0.0000 0.2544 ( 7040 PWs) bands (ev): -41.8064 -41.8064 -41.7442 -41.7442 -15.7207 -15.7207 -13.6463 -13.6463 -4.0601 -4.0601 -2.2405 -2.2405 -2.1920 -2.1920 -1.7619 -1.7619 0.5774 0.5774 0.7391 0.7391 6.4560 6.4560 8.7619 8.7619 9.0388 9.0388 9.2383 9.2383 k = 0.0000 0.0000 0.2703 ( 7034 PWs) bands (ev): -41.8057 -41.8057 -41.7449 -41.7449 -15.7172 -15.7172 -13.6465 -13.6465 -4.0554 -4.0554 -2.2605 -2.2605 -2.2074 -2.2074 -1.7873 -1.7873 0.5755 0.5755 0.7547 0.7547 6.5254 6.5254 8.7249 8.7249 9.0335 9.0335 9.3154 9.3154 k = 0.0000 0.0000 0.2862 ( 7030 PWs) bands (ev): -41.8049 -41.8049 -41.7456 -41.7456 -15.7135 -15.7135 -13.6467 -13.6467 -4.0504 -4.0504 -2.2811 -2.2811 -2.2234 -2.2234 -1.8133 -1.8133 0.5736 0.5736 0.7705 0.7705 6.5973 6.5973 8.6868 8.6868 9.0282 9.0282 9.3960 9.3960 k = 0.0000 0.0000 0.3021 ( 7030 PWs) bands (ev): -41.8041 -41.8041 -41.7463 -41.7463 -15.7097 -15.7097 -13.6469 -13.6469 -4.0451 -4.0451 -2.3022 -2.3022 -2.2400 -2.2400 -1.8396 -1.8396 0.5715 0.5715 0.7867 0.7867 6.6715 6.6715 8.6478 8.6478 9.0227 9.0227 9.4799 9.4799 k = 0.0000 0.0000 0.3180 ( 7030 PWs) bands (ev): -41.8032 -41.8032 -41.7470 -41.7470 -15.7058 -15.7058 -13.6472 -13.6472 -4.0395 -4.0395 -2.3238 -2.3238 -2.2571 -2.2571 -1.8663 -1.8663 0.5694 0.5694 0.8030 0.8030 6.7475 6.7475 8.6080 8.6080 9.0172 9.0172 9.5666 9.5666 k = 0.0000 0.0000 0.3339 ( 7036 PWs) bands (ev): -41.8023 -41.8023 -41.7478 -41.7478 -15.7018 -15.7018 -13.6474 -13.6474 -4.0337 -4.0337 -2.3457 -2.3457 -2.2746 -2.2746 -1.8933 -1.8933 0.5672 0.5672 0.8195 0.8195 6.8250 6.8250 8.5677 8.5677 9.0116 9.0116 9.6560 9.6560 k = 0.0000 0.0000 0.3498 ( 7032 PWs) bands (ev): -41.8014 -41.8014 -41.7486 -41.7486 -15.6976 -15.6976 -13.6477 -13.6477 -4.0276 -4.0276 -2.3680 -2.3680 -2.2926 -2.2926 -1.9203 -1.9203 0.5649 0.5649 0.8362 0.8362 6.9037 6.9037 8.5271 8.5271 9.0059 9.0059 9.7476 9.7476 k = 0.0000 0.0000 0.3657 ( 7028 PWs) bands (ev): -41.8005 -41.8005 -41.7494 -41.7494 -15.6934 -15.6934 -13.6480 -13.6480 -4.0212 -4.0212 -2.3905 -2.3905 -2.3109 -2.3109 -1.9474 -1.9474 0.5625 0.5625 0.8529 0.8529 6.9830 6.9830 8.4863 8.4863 9.0003 9.0003 9.8410 9.8410 k = 0.0000 0.0000 0.3816 ( 7030 PWs) bands (ev): -41.7995 -41.7995 -41.7503 -41.7503 -15.6890 -15.6890 -13.6483 -13.6483 -4.0145 -4.0145 -2.4133 -2.4133 -2.3295 -2.3295 -1.9745 -1.9745 0.5601 0.5601 0.8696 0.8696 7.0625 7.0625 8.4456 8.4456 8.9946 8.9946 9.9358 9.9358 k = 0.0000 0.0000 0.3975 ( 7026 PWs) bands (ev): -41.7986 -41.7986 -41.7511 -41.7511 -15.6846 -15.6846 -13.6486 -13.6486 -4.0076 -4.0076 -2.4362 -2.4362 -2.3484 -2.3484 -2.0015 -2.0015 0.5576 0.5576 0.8863 0.8863 7.1416 7.1416 8.4053 8.4053 8.9889 8.9889 10.0313 10.0313 k = 0.0000 0.0000 0.4134 ( 7024 PWs) bands (ev): -41.7976 -41.7976 -41.7520 -41.7520 -15.6801 -15.6801 -13.6490 -13.6490 -4.0004 -4.0004 -2.4592 -2.4592 -2.3674 -2.3674 -2.0283 -2.0283 0.5550 0.5550 0.9031 0.9031 7.2197 7.2197 8.3657 8.3657 8.9833 8.9833 10.1270 10.1270 k = 0.0000 0.0000 0.4293 ( 7030 PWs) bands (ev): -41.7966 -41.7966 -41.7529 -41.7529 -15.6756 -15.6756 -13.6493 -13.6493 -3.9929 -3.9929 -2.4822 -2.4822 -2.3866 -2.3866 -2.0548 -2.0548 0.5525 0.5525 0.9197 0.9197 7.2961 7.2961 8.3270 8.3270 8.9776 8.9776 10.2222 10.2222 k = 0.0000 0.0000 0.4452 ( 7036 PWs) bands (ev): -41.7956 -41.7956 -41.7538 -41.7538 -15.6710 -15.6710 -13.6497 -13.6497 -3.9851 -3.9851 -2.5052 -2.5052 -2.4059 -2.4059 -2.0810 -2.0810 0.5498 0.5498 0.9363 0.9363 7.3700 7.3700 8.2899 8.2899 8.9719 8.9719 10.3159 10.3159 k = 0.0000 0.0000 0.4611 ( 7032 PWs) bands (ev): -41.7946 -41.7946 -41.7547 -41.7547 -15.6664 -15.6664 -13.6501 -13.6501 -3.9771 -3.9771 -2.5283 -2.5283 -2.4253 -2.4253 -2.1068 -2.1068 0.5472 0.5472 0.9528 0.9528 7.4404 7.4404 8.2547 8.2547 8.9663 8.9663 10.4073 10.4073 k = 0.0000 0.0000 0.4770 ( 7028 PWs) bands (ev): -41.7936 -41.7936 -41.7555 -41.7555 -15.6617 -15.6617 -13.6504 -13.6504 -3.9688 -3.9688 -2.5512 -2.5512 -2.4446 -2.4446 -2.1322 -2.1322 0.5445 0.5445 0.9691 0.9691 7.5061 7.5061 8.2222 8.2222 8.9607 8.9607 10.4951 10.4951 k = 0.0000 0.0000 0.4929 ( 7032 PWs) bands (ev): -41.7926 -41.7926 -41.7564 -41.7564 -15.6571 -15.6571 -13.6508 -13.6508 -3.9602 -3.9602 -2.5740 -2.5740 -2.4639 -2.4639 -2.1570 -2.1570 0.5418 0.5418 0.9853 0.9853 7.5658 7.5658 8.1933 8.1933 8.9552 8.9552 10.5783 10.5783 k = 0.0000 0.0000 0.5088 ( 7024 PWs) bands (ev): -41.7916 -41.7916 -41.7573 -41.7573 -15.6525 -15.6525 -13.6513 -13.6513 -3.9513 -3.9513 -2.5968 -2.5968 -2.4830 -2.4830 -2.1814 -2.1814 0.5391 0.5391 1.0013 1.0013 7.6178 7.6178 8.1691 8.1691 8.9497 8.9497 10.6555 10.6555 k = 0.0000 0.0000 0.5247 ( 7016 PWs) bands (ev): -41.7906 -41.7906 -41.7582 -41.7582 -15.6479 -15.6479 -13.6517 -13.6517 -3.9422 -3.9422 -2.6193 -2.6193 -2.5020 -2.5020 -2.2052 -2.2052 0.5364 0.5364 1.0171 1.0171 7.6603 7.6603 8.1509 8.1509 8.9442 8.9442 10.7254 10.7254 k = 0.0000 0.0000 0.5406 ( 7016 PWs) bands (ev): -41.7896 -41.7896 -41.7591 -41.7591 -15.6433 -15.6433 -13.6521 -13.6521 -3.9328 -3.9328 -2.6417 -2.6417 -2.5207 -2.5207 -2.2284 -2.2284 0.5337 0.5337 1.0326 1.0326 7.6917 7.6917 8.1398 8.1398 8.9389 8.9389 10.7868 10.7868 k = 0.0000 0.0000 0.5566 ( 7024 PWs) bands (ev): -41.7886 -41.7886 -41.7600 -41.7600 -15.6388 -15.6388 -13.6525 -13.6525 -3.9232 -3.9232 -2.6638 -2.6638 -2.5393 -2.5393 -2.2509 -2.2509 0.5310 0.5310 1.0479 1.0479 7.7110 7.7110 8.1362 8.1362 8.9335 8.9335 10.8385 10.8385 k = 0.0000 0.0000 0.5725 ( 7016 PWs) bands (ev): -41.7876 -41.7876 -41.7608 -41.7608 -15.6343 -15.6343 -13.6530 -13.6530 -3.9134 -3.9134 -2.6858 -2.6858 -2.5575 -2.5575 -2.2727 -2.2727 0.5283 0.5283 1.0630 1.0630 7.7187 7.7187 8.1393 8.1393 8.9283 8.9283 10.8799 10.8799 k = 0.0000 0.0000 0.5884 ( 7010 PWs) bands (ev): -41.7866 -41.7866 -41.7617 -41.7617 -15.6299 -15.6299 -13.6534 -13.6534 -3.9033 -3.9033 -2.7074 -2.7074 -2.5753 -2.5753 -2.2938 -2.2938 0.5257 0.5257 1.0778 1.0778 7.7167 7.7167 8.1470 8.1470 8.9232 8.9232 10.9106 10.9106 k = 0.0000 0.0000 0.6043 ( 7006 PWs) bands (ev): -41.7857 -41.7857 -41.7625 -41.7625 -15.6256 -15.6256 -13.6538 -13.6538 -3.8930 -3.8930 -2.7288 -2.7288 -2.5928 -2.5928 -2.3142 -2.3142 0.5230 0.5230 1.0922 1.0922 7.7073 7.7073 8.1565 8.1565 8.9181 8.9181 10.9308 10.9308 k = 0.0000 0.0000 0.6202 ( 7010 PWs) bands (ev): -41.7848 -41.7848 -41.7633 -41.7633 -15.6213 -15.6213 -13.6543 -13.6543 -3.8825 -3.8825 -2.7499 -2.7499 -2.6099 -2.6099 -2.3339 -2.3339 0.5205 0.5205 1.1063 1.1063 7.6931 7.6931 8.1655 8.1655 8.9132 8.9132 10.9412 10.9412 k = 0.0000 0.0000 0.6361 ( 7014 PWs) bands (ev): -41.7839 -41.7839 -41.7641 -41.7641 -15.6172 -15.6172 -13.6547 -13.6547 -3.8718 -3.8718 -2.7707 -2.7707 -2.6264 -2.6264 -2.3528 -2.3528 0.5179 0.5179 1.1201 1.1201 7.6758 7.6758 8.1720 8.1720 8.9084 8.9084 10.9426 10.9426 k = 0.0000 0.0000 0.6520 ( 7010 PWs) bands (ev): -41.7830 -41.7830 -41.7649 -41.7649 -15.6132 -15.6132 -13.6551 -13.6551 -3.8610 -3.8610 -2.7911 -2.7911 -2.6425 -2.6425 -2.3708 -2.3708 0.5155 0.5155 1.1334 1.1334 7.6569 7.6569 8.1750 8.1750 8.9037 8.9037 10.9362 10.9362 k = 0.0000 0.0000 0.6679 ( 7004 PWs) bands (ev): -41.7821 -41.7821 -41.7657 -41.7657 -15.6093 -15.6093 -13.6556 -13.6556 -3.8500 -3.8500 -2.8112 -2.8112 -2.6580 -2.6580 -2.3881 -2.3881 0.5131 0.5131 1.1464 1.1464 7.6375 7.6375 8.1739 8.1739 8.8991 8.8991 10.9234 10.9234 k = 0.0000 0.0000 0.6838 ( 6994 PWs) bands (ev): -41.7813 -41.7813 -41.7664 -41.7664 -15.6055 -15.6055 -13.6560 -13.6560 -3.8390 -3.8390 -2.8308 -2.8308 -2.6729 -2.6729 -2.4045 -2.4045 0.5108 0.5108 1.1589 1.1589 7.6181 7.6181 8.1684 8.1684 8.8947 8.8947 10.9053 10.9053 k = 0.0000 0.0000 0.6997 ( 7006 PWs) bands (ev): -41.7805 -41.7805 -41.7671 -41.7671 -15.6019 -15.6019 -13.6564 -13.6564 -3.8279 -3.8279 -2.8500 -2.8500 -2.6873 -2.6873 -2.4201 -2.4201 0.5085 0.5085 1.1709 1.1709 7.5994 7.5994 8.1587 8.1587 8.8905 8.8905 10.8831 10.8831 k = 0.0000 0.0000 0.7156 ( 7008 PWs) bands (ev): -41.7797 -41.7797 -41.7678 -41.7678 -15.5985 -15.5985 -13.6568 -13.6568 -3.8168 -3.8168 -2.8686 -2.8686 -2.7009 -2.7009 -2.4348 -2.4348 0.5064 0.5064 1.1825 1.1825 7.5816 7.5816 8.1452 8.1452 8.8864 8.8864 10.8580 10.8580 k = 0.0000 0.0000 0.7315 ( 7010 PWs) bands (ev): -41.7790 -41.7790 -41.7684 -41.7684 -15.5952 -15.5952 -13.6572 -13.6572 -3.8057 -3.8057 -2.8868 -2.8868 -2.7139 -2.7139 -2.4487 -2.4487 0.5043 0.5043 1.1935 1.1935 7.5651 7.5651 8.1282 8.1282 8.8825 8.8825 10.8309 10.8309 k = 0.0000 0.0000 0.7474 ( 7014 PWs) bands (ev): -41.7783 -41.7783 -41.7690 -41.7690 -15.5920 -15.5920 -13.6575 -13.6575 -3.7947 -3.7947 -2.9044 -2.9044 -2.7262 -2.7262 -2.4617 -2.4617 0.5023 0.5023 1.2040 1.2040 7.5500 7.5500 8.1084 8.1084 8.8788 8.8788 10.8026 10.8026 k = 0.0000 0.0000 0.7633 ( 7014 PWs) bands (ev): -41.7777 -41.7777 -41.7696 -41.7696 -15.5891 -15.5891 -13.6579 -13.6579 -3.7839 -3.7839 -2.9213 -2.9213 -2.7378 -2.7378 -2.4738 -2.4738 0.5005 0.5005 1.2139 1.2139 7.5364 7.5364 8.0864 8.0864 8.8753 8.8753 10.7739 10.7739 k = 0.0000 0.0000 0.7792 ( 7010 PWs) bands (ev): -41.7771 -41.7771 -41.7701 -41.7701 -15.5863 -15.5863 -13.6582 -13.6582 -3.7734 -3.7734 -2.9375 -2.9375 -2.7486 -2.7486 -2.4851 -2.4851 0.4987 0.4987 1.2232 1.2232 7.5244 7.5244 8.0628 8.0628 8.8720 8.8720 10.7454 10.7454 k = 0.0000 0.0000 0.7951 ( 7010 PWs) bands (ev): -41.7765 -41.7765 -41.7706 -41.7706 -15.5838 -15.5838 -13.6585 -13.6585 -3.7631 -3.7631 -2.9529 -2.9529 -2.7586 -2.7586 -2.4955 -2.4955 0.4971 0.4971 1.2318 1.2318 7.5141 7.5141 8.0381 8.0381 8.8690 8.8690 10.7176 10.7176 k = 0.0000 0.0000 0.8110 ( 7012 PWs) bands (ev): -41.7760 -41.7760 -41.7711 -41.7711 -15.5814 -15.5814 -13.6588 -13.6588 -3.7533 -3.7533 -2.9674 -2.9674 -2.7678 -2.7678 -2.5049 -2.5049 0.4956 0.4956 1.2398 1.2398 7.5054 7.5054 8.0130 8.0130 8.8661 8.8661 10.6909 10.6909 k = 0.0000 0.0000 0.8269 ( 7026 PWs) bands (ev): -41.7755 -41.7755 -41.7715 -41.7715 -15.5792 -15.5792 -13.6591 -13.6591 -3.7439 -3.7439 -2.9810 -2.9810 -2.7762 -2.7762 -2.5135 -2.5135 0.4942 0.4942 1.2472 1.2472 7.4983 7.4983 7.9880 7.9880 8.8635 8.8635 10.6658 10.6658 k = 0.0000 0.0000 0.8428 ( 7022 PWs) bands (ev): -41.7751 -41.7751 -41.7719 -41.7719 -15.5773 -15.5773 -13.6594 -13.6594 -3.7351 -3.7351 -2.9936 -2.9936 -2.7838 -2.7838 -2.5212 -2.5212 0.4930 0.4930 1.2538 1.2538 7.4927 7.4927 7.9637 7.9637 8.8612 8.8612 10.6426 10.6426 k = 0.0000 0.0000 0.8587 ( 7014 PWs) bands (ev): -41.7747 -41.7747 -41.7722 -41.7722 -15.5756 -15.5756 -13.6596 -13.6596 -3.7270 -3.7270 -3.0050 -3.0050 -2.7905 -2.7905 -2.5280 -2.5280 0.4919 0.4919 1.2597 1.2597 7.4885 7.4885 7.9406 7.9406 8.8591 8.8591 10.6215 10.6215 k = 0.0000 0.0000 0.8746 ( 7010 PWs) bands (ev): -41.7743 -41.7743 -41.7725 -41.7725 -15.5740 -15.5740 -13.6598 -13.6598 -3.7197 -3.7197 -3.0151 -3.0151 -2.7963 -2.7963 -2.5339 -2.5339 0.4909 0.4909 1.2649 1.2649 7.4856 7.4856 7.9192 7.9192 8.8573 8.8573 10.6028 10.6028 k = 0.0000 0.0000 0.8905 ( 7010 PWs) bands (ev): -41.7740 -41.7740 -41.7728 -41.7728 -15.5728 -15.5728 -13.6599 -13.6599 -3.7134 -3.7134 -3.0239 -3.0239 -2.8013 -2.8013 -2.5389 -2.5389 0.4901 0.4901 1.2692 1.2692 7.4837 7.4837 7.9000 7.9000 8.8557 8.8557 10.5867 10.5867 k = 0.0000 0.0000 0.9064 ( 7014 PWs) bands (ev): -41.7738 -41.7738 -41.7730 -41.7730 -15.5717 -15.5717 -13.6601 -13.6601 -3.7080 -3.7080 -3.0312 -3.0312 -2.8054 -2.8054 -2.5429 -2.5429 0.4894 0.4894 1.2729 1.2729 7.4826 7.4826 7.8835 7.8835 8.8545 8.8545 10.5733 10.5733 k = 0.0000 0.0000 0.9223 ( 7012 PWs) bands (ev): -41.7736 -41.7736 -41.7731 -41.7731 -15.5709 -15.5709 -13.6602 -13.6602 -3.7037 -3.7037 -3.0371 -3.0371 -2.8085 -2.8085 -2.5461 -2.5461 0.4889 0.4889 1.2757 1.2757 7.4822 7.4822 7.8702 7.8702 8.8535 8.8535 10.5627 10.5627 k = 0.0000 0.0000 0.9382 ( 7004 PWs) bands (ev): -41.7735 -41.7735 -41.7732 -41.7732 -15.5703 -15.5703 -13.6602 -13.6602 -3.7006 -3.7006 -3.0413 -3.0413 -2.8108 -2.8108 -2.5484 -2.5484 0.4885 0.4885 1.2777 1.2777 7.4820 7.4820 7.8603 7.8603 8.8528 8.8528 10.5551 10.5551 k = 0.0000 0.0000 0.9541 ( 6992 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5699 -15.5699 -13.6603 -13.6603 -3.6987 -3.6987 -3.0438 -3.0438 -2.8122 -2.8122 -2.5497 -2.5497 0.4883 0.4883 1.2789 1.2789 7.4820 7.4820 7.8543 7.8543 8.8523 8.8523 10.5506 10.5506 k = 0.0000 0.0000 0.9700 ( 6988 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6980 -3.6980 -3.0447 -3.0447 -2.8126 -2.8126 -2.5502 -2.5502 0.4882 0.4882 1.2793 1.2793 7.4820 7.4820 7.8522 7.8522 8.8522 8.8522 10.5490 10.5490 k = 0.0000 0.0000 0.9700 ( 6988 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6980 -3.6980 -3.0447 -3.0447 -2.8126 -2.8126 -2.5502 -2.5502 0.4882 0.4882 1.2793 1.2793 7.4820 7.4820 7.8522 7.8522 8.8522 8.8522 10.5490 10.5490 k =-0.0082 0.0137 0.9700 ( 6992 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5699 -15.5699 -13.6604 -13.6604 -3.6979 -3.6979 -3.0444 -3.0444 -2.8121 -2.8121 -2.5506 -2.5506 0.4892 0.4892 1.2797 1.2797 7.4818 7.4818 7.8531 7.8531 8.8516 8.8516 10.5505 10.5505 k =-0.0164 0.0273 0.9700 ( 7000 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5701 -15.5701 -13.6606 -13.6606 -3.6975 -3.6975 -3.0433 -3.0433 -2.8107 -2.8107 -2.5520 -2.5520 0.4922 0.4922 1.2808 1.2808 7.4812 7.4812 7.8556 7.8556 8.8498 8.8498 10.5547 10.5547 k =-0.0247 0.0410 0.9700 ( 7006 PWs) bands (ev): -41.7736 -41.7736 -41.7732 -41.7732 -15.5704 -15.5704 -13.6610 -13.6610 -3.6969 -3.6969 -3.0417 -3.0417 -2.8083 -2.8083 -2.5542 -2.5542 0.4973 0.4973 1.2827 1.2827 7.4800 7.4800 7.8598 7.8598 8.8468 8.8468 10.5619 10.5619 k =-0.0329 0.0547 0.9700 ( 7018 PWs) bands (ev): -41.7738 -41.7738 -41.7730 -41.7730 -15.5709 -15.5709 -13.6616 -13.6616 -3.6960 -3.6960 -3.0393 -3.0393 -2.8050 -2.8050 -2.5574 -2.5574 0.5044 0.5044 1.2853 1.2853 7.4785 7.4785 7.8654 7.8654 8.8427 8.8427 10.5718 10.5718 k =-0.0411 0.0684 0.9700 ( 7012 PWs) bands (ev): -41.7740 -41.7740 -41.7728 -41.7728 -15.5714 -15.5714 -13.6624 -13.6624 -3.6948 -3.6948 -3.0363 -3.0363 -2.8007 -2.8007 -2.5613 -2.5613 0.5134 0.5134 1.2886 1.2886 7.4765 7.4765 7.8723 7.8723 8.8376 8.8376 10.5846 10.5846 k =-0.0493 0.0820 0.9700 ( 7008 PWs) bands (ev): -41.7743 -41.7743 -41.7726 -41.7726 -15.5721 -15.5721 -13.6632 -13.6632 -3.6933 -3.6933 -3.0326 -3.0326 -2.7956 -2.7956 -2.5661 -2.5661 0.5244 0.5244 1.2927 1.2927 7.4740 7.4740 7.8802 7.8802 8.8316 8.8316 10.6001 10.6001 k =-0.0576 0.0957 0.9700 ( 7002 PWs) bands (ev): -41.7746 -41.7746 -41.7723 -41.7723 -15.5730 -15.5730 -13.6643 -13.6643 -3.6915 -3.6915 -3.0283 -3.0283 -2.7896 -2.7896 -2.5717 -2.5717 0.5373 0.5373 1.2974 1.2974 7.4712 7.4712 7.8888 7.8888 8.8247 8.8247 10.6182 10.6182 k =-0.0658 0.1094 0.9700 ( 7008 PWs) bands (ev): -41.7750 -41.7750 -41.7719 -41.7719 -15.5739 -15.5739 -13.6655 -13.6655 -3.6893 -3.6893 -3.0234 -3.0234 -2.7827 -2.7827 -2.5781 -2.5781 0.5519 0.5519 1.3029 1.3029 7.4679 7.4679 7.8976 7.8976 8.8170 8.8170 10.6390 10.6390 k =-0.0740 0.1230 0.9700 ( 7012 PWs) bands (ev): -41.7754 -41.7754 -41.7716 -41.7716 -15.5750 -15.5750 -13.6668 -13.6668 -3.6867 -3.6867 -3.0178 -3.0178 -2.7751 -2.7751 -2.5851 -2.5851 0.5684 0.5684 1.3090 1.3090 7.4642 7.4642 7.9064 7.9064 8.8087 8.8087 10.6623 10.6623 k =-0.0822 0.1367 0.9700 ( 7012 PWs) bands (ev): -41.7759 -41.7759 -41.7711 -41.7711 -15.5762 -15.5762 -13.6683 -13.6683 -3.6837 -3.6837 -3.0116 -3.0116 -2.7667 -2.7667 -2.5928 -2.5928 0.5865 0.5865 1.3159 1.3159 7.4601 7.4601 7.9146 7.9146 8.7996 8.7996 10.6881 10.6881 k =-0.0905 0.1504 0.9700 ( 7024 PWs) bands (ev): -41.7764 -41.7764 -41.7707 -41.7707 -15.5775 -15.5775 -13.6700 -13.6700 -3.6802 -3.6802 -3.0049 -3.0049 -2.7576 -2.7576 -2.6012 -2.6012 0.6063 0.6063 1.3233 1.3233 7.4556 7.4556 7.9218 7.9218 8.7896 8.7896 10.7161 10.7161 k =-0.0905 0.1504 0.9700 ( 7024 PWs) bands (ev): -41.7764 -41.7764 -41.7707 -41.7707 -15.5775 -15.5775 -13.6700 -13.6700 -3.6802 -3.6802 -3.0049 -3.0049 -2.7576 -2.7576 -2.6012 -2.6012 0.6063 0.6063 1.3233 1.3233 7.4556 7.4556 7.9218 7.9218 8.7896 8.7896 10.7161 10.7161 k =-0.0963 0.1601 0.9586 ( 7032 PWs) bands (ev): -41.7768 -41.7768 -41.7703 -41.7703 -15.5786 -15.5786 -13.6712 -13.6712 -3.6778 -3.6778 -2.9993 -2.9993 -2.7504 -2.7504 -2.6072 -2.6072 0.6213 0.6213 1.3289 1.3289 7.4523 7.4523 7.9268 7.9268 8.7821 8.7821 10.7382 10.7382 k =-0.1022 0.1698 0.9473 ( 7032 PWs) bands (ev): -41.7772 -41.7772 -41.7700 -41.7700 -15.5798 -15.5798 -13.6725 -13.6725 -3.6759 -3.6759 -2.9929 -2.9929 -2.7421 -2.7421 -2.6131 -2.6131 0.6371 0.6371 1.3343 1.3343 7.4494 7.4494 7.9323 7.9323 8.7747 8.7747 10.7630 10.7630 k =-0.1080 0.1796 0.9359 ( 7022 PWs) bands (ev): -41.7776 -41.7776 -41.7697 -41.7697 -15.5811 -15.5811 -13.6738 -13.6738 -3.6745 -3.6745 -2.9856 -2.9856 -2.7329 -2.7329 -2.6189 -2.6189 0.6535 0.6535 1.3398 1.3398 7.4469 7.4469 7.9379 7.9379 8.7672 8.7672 10.7903 10.7903 k =-0.1139 0.1893 0.9246 ( 7018 PWs) bands (ev): -41.7780 -41.7780 -41.7694 -41.7694 -15.5826 -15.5826 -13.6752 -13.6752 -3.6736 -3.6736 -2.9776 -2.9776 -2.7226 -2.7226 -2.6245 -2.6245 0.6705 0.6705 1.3451 1.3451 7.4448 7.4448 7.9434 7.9434 8.7598 8.7598 10.8201 10.8201 k =-0.1197 0.1990 0.9132 ( 7020 PWs) bands (ev): -41.7784 -41.7784 -41.7691 -41.7691 -15.5843 -15.5843 -13.6766 -13.6766 -3.6733 -3.6733 -2.9689 -2.9689 -2.7112 -2.7112 -2.6299 -2.6299 0.6881 0.6881 1.3505 1.3505 7.4433 7.4433 7.9483 7.9483 8.7524 8.7524 10.8524 10.8524 k =-0.1256 0.2087 0.9019 ( 7018 PWs) bands (ev): -41.7787 -41.7787 -41.7688 -41.7688 -15.5860 -15.5860 -13.6780 -13.6780 -3.6734 -3.6734 -2.9596 -2.9596 -2.6988 -2.6988 -2.6351 -2.6351 0.7062 0.7062 1.3558 1.3558 7.4425 7.4425 7.9525 7.9525 8.7449 8.7449 10.8871 10.8871 k =-0.1314 0.2185 0.8905 ( 7011 PWs) bands (ev): -41.7791 -41.7791 -41.7685 -41.7685 -15.5878 -15.5878 -13.6795 -13.6795 -3.6740 -3.6740 -2.9498 -2.9498 -2.6853 -2.6853 -2.6402 -2.6402 0.7246 0.7246 1.3611 1.3611 7.4423 7.4423 7.9556 7.9556 8.7372 8.7372 10.9240 10.9240 k =-0.1373 0.2282 0.8792 ( 7011 PWs) bands (ev): -41.7794 -41.7794 -41.7682 -41.7682 -15.5898 -15.5898 -13.6809 -13.6809 -3.6752 -3.6752 -2.9397 -2.9397 -2.6708 -2.6708 -2.6450 -2.6450 0.7433 0.7433 1.3665 1.3665 7.4428 7.4428 7.9574 7.9574 8.7291 8.7291 10.9154 10.9154 k =-0.1431 0.2379 0.8678 ( 7005 PWs) bands (ev): -41.7798 -41.7798 -41.7679 -41.7679 -15.5918 -15.5918 -13.6824 -13.6824 -3.6768 -3.6768 -2.9292 -2.9292 -2.6558 -2.6558 -2.6492 -2.6492 0.7622 0.7622 1.3718 1.3718 7.4441 7.4441 7.9579 7.9579 8.7203 8.7203 10.8314 10.8314 k =-0.1490 0.2476 0.8565 ( 7009 PWs) bands (ev): -41.7802 -41.7802 -41.7676 -41.7676 -15.5939 -15.5939 -13.6839 -13.6839 -3.6788 -3.6788 -2.9186 -2.9186 -2.6547 -2.6547 -2.6382 -2.6382 0.7813 0.7813 1.3772 1.3772 7.4461 7.4461 7.9569 7.9569 8.7107 8.7107 10.7498 10.7498 k =-0.1548 0.2574 0.8451 ( 7003 PWs) bands (ev): -41.7805 -41.7805 -41.7674 -41.7674 -15.5960 -15.5960 -13.6853 -13.6853 -3.6812 -3.6812 -2.9079 -2.9079 -2.6590 -2.6590 -2.6208 -2.6208 0.8003 0.8003 1.3827 1.3827 7.4489 7.4489 7.9542 7.9542 8.7000 8.7000 10.6712 10.6712 k =-0.1607 0.2671 0.8338 ( 7000 PWs) bands (ev): -41.7808 -41.7808 -41.7671 -41.7671 -15.5982 -15.5982 -13.6868 -13.6868 -3.6840 -3.6840 -2.8971 -2.8971 -2.6631 -2.6631 -2.6024 -2.6024 0.8193 0.8193 1.3882 1.3882 7.4523 7.4523 7.9500 7.9500 8.6879 8.6879 10.5963 10.5963 k =-0.1665 0.2768 0.8224 ( 7002 PWs) bands (ev): -41.7811 -41.7811 -41.7669 -41.7669 -15.6004 -15.6004 -13.6883 -13.6883 -3.6870 -3.6870 -2.8865 -2.8865 -2.6671 -2.6671 -2.5832 -2.5832 0.8381 0.8381 1.3939 1.3939 7.4564 7.4564 7.9442 7.9442 8.6740 8.6740 10.5255 10.5255 k =-0.1724 0.2865 0.8111 ( 7006 PWs) bands (ev): -41.7815 -41.7815 -41.7667 -41.7667 -15.6027 -15.6027 -13.6897 -13.6897 -3.6904 -3.6904 -2.8760 -2.8760 -2.6709 -2.6709 -2.5634 -2.5634 0.8566 0.8566 1.3996 1.3996 7.4612 7.4612 7.9369 7.9369 8.6581 8.6581 10.4593 10.4593 k =-0.1782 0.2963 0.7997 ( 7002 PWs) bands (ev): -41.7818 -41.7818 -41.7664 -41.7664 -15.6049 -15.6049 -13.6911 -13.6911 -3.6940 -3.6940 -2.8657 -2.8657 -2.6745 -2.6745 -2.5429 -2.5429 0.8748 0.8748 1.4054 1.4054 7.4665 7.4665 7.9281 7.9281 8.6402 8.6402 10.3981 10.3981 k =-0.1841 0.3060 0.7884 ( 7010 PWs) bands (ev): -41.7821 -41.7821 -41.7662 -41.7662 -15.6072 -15.6072 -13.6925 -13.6925 -3.6977 -3.6977 -2.8556 -2.8556 -2.6780 -2.6780 -2.5221 -2.5221 0.8924 0.8924 1.4114 1.4114 7.4722 7.4722 7.9182 7.9182 8.6201 8.6201 10.3421 10.3421 k =-0.1899 0.3157 0.7770 ( 7014 PWs) bands (ev): -41.7823 -41.7823 -41.7660 -41.7660 -15.6094 -15.6094 -13.6939 -13.6939 -3.7016 -3.7016 -2.8459 -2.8459 -2.6812 -2.6812 -2.5009 -2.5009 0.9095 0.9095 1.4174 1.4174 7.4784 7.4784 7.9071 7.9071 8.5977 8.5977 10.2914 10.2914 k =-0.1958 0.3255 0.7657 ( 7010 PWs) bands (ev): -41.7826 -41.7826 -41.7658 -41.7658 -15.6115 -15.6115 -13.6952 -13.6952 -3.7055 -3.7055 -2.8365 -2.8365 -2.6843 -2.6843 -2.4797 -2.4797 0.9260 0.9260 1.4236 1.4236 7.4848 7.4848 7.8951 7.8951 8.5734 8.5734 10.2460 10.2460 k =-0.2016 0.3352 0.7543 ( 7013 PWs) bands (ev): -41.7829 -41.7829 -41.7657 -41.7657 -15.6137 -15.6137 -13.6964 -13.6964 -3.7095 -3.7095 -2.8274 -2.8274 -2.6872 -2.6872 -2.4584 -2.4584 0.9417 0.9417 1.4298 1.4298 7.4913 7.4913 7.8823 7.8823 8.5474 8.5474 10.2057 10.2057 k =-0.2075 0.3449 0.7430 ( 7007 PWs) bands (ev): -41.7831 -41.7831 -41.7655 -41.7655 -15.6157 -15.6157 -13.6977 -13.6977 -3.7135 -3.7135 -2.8188 -2.8188 -2.6899 -2.6899 -2.4374 -2.4374 0.9566 0.9566 1.4361 1.4361 7.4977 7.4977 7.8692 7.8692 8.5199 8.5199 10.1703 10.1703 k =-0.2133 0.3546 0.7316 ( 7006 PWs) bands (ev): -41.7833 -41.7833 -41.7653 -41.7653 -15.6177 -15.6177 -13.6988 -13.6988 -3.7174 -3.7174 -2.8107 -2.8107 -2.6924 -2.6924 -2.4167 -2.4167 0.9707 0.9707 1.4425 1.4425 7.5039 7.5039 7.8559 7.8559 8.4914 8.4914 10.1394 10.1394 k =-0.2192 0.3644 0.7203 ( 7008 PWs) bands (ev): -41.7836 -41.7836 -41.7652 -41.7652 -15.6196 -15.6196 -13.7000 -13.7000 -3.7213 -3.7213 -2.8030 -2.8030 -2.6948 -2.6948 -2.3965 -2.3965 0.9839 0.9839 1.4488 1.4488 7.5096 7.5096 7.8427 7.8427 8.4625 8.4625 10.1127 10.1127 k =-0.2250 0.3741 0.7089 ( 7011 PWs) bands (ev): -41.7838 -41.7838 -41.7651 -41.7651 -15.6214 -15.6214 -13.7010 -13.7010 -3.7250 -3.7250 -2.7958 -2.7958 -2.6970 -2.6970 -2.3771 -2.3771 0.9961 0.9961 1.4551 1.4551 7.5147 7.5147 7.8300 7.8300 8.4335 8.4335 10.0898 10.0898 k =-0.2309 0.3838 0.6976 ( 7010 PWs) bands (ev): -41.7840 -41.7840 -41.7649 -41.7649 -15.6232 -15.6232 -13.7020 -13.7020 -3.7286 -3.7286 -2.7891 -2.7891 -2.6990 -2.6990 -2.3585 -2.3585 1.0073 1.0073 1.4612 1.4612 7.5189 7.5189 7.8182 7.8182 8.4050 8.4050 10.0702 10.0702 k =-0.2367 0.3935 0.6862 ( 7012 PWs) bands (ev): -41.7841 -41.7841 -41.7648 -41.7648 -15.6247 -15.6247 -13.7029 -13.7029 -3.7319 -3.7319 -2.7829 -2.7829 -2.7008 -2.7008 -2.3409 -2.3409 1.0175 1.0175 1.4671 1.4671 7.5221 7.5221 7.8076 7.8076 8.3775 8.3775 10.0535 10.0535 k =-0.2426 0.4033 0.6749 ( 7018 PWs) bands (ev): -41.7843 -41.7843 -41.7647 -41.7647 -15.6262 -15.6262 -13.7037 -13.7037 -3.7350 -3.7350 -2.7773 -2.7773 -2.7024 -2.7024 -2.3244 -2.3244 1.0268 1.0268 1.4728 1.4728 7.5240 7.5240 7.7984 7.7984 8.3513 8.3513 10.0394 10.0394 k =-0.2484 0.4130 0.6635 ( 7016 PWs) bands (ev): -41.7844 -41.7844 -41.7646 -41.7646 -15.6276 -15.6276 -13.7045 -13.7045 -3.7379 -3.7379 -2.7722 -2.7722 -2.7039 -2.7039 -2.3093 -2.3093 1.0350 1.0350 1.4782 1.4782 7.5247 7.5247 7.7908 7.7908 8.3268 8.3268 10.0276 10.0276 k =-0.2543 0.4227 0.6522 ( 7024 PWs) bands (ev): -41.7846 -41.7846 -41.7646 -41.7646 -15.6288 -15.6288 -13.7052 -13.7052 -3.7405 -3.7405 -2.7677 -2.7677 -2.7052 -2.7052 -2.2957 -2.2957 1.0422 1.0422 1.4831 1.4831 7.5242 7.5242 7.7850 7.7850 8.3043 8.3043 10.0178 10.0178 k =-0.2601 0.4324 0.6408 ( 7030 PWs) bands (ev): -41.7847 -41.7847 -41.7645 -41.7645 -15.6298 -15.6298 -13.7057 -13.7057 -3.7428 -3.7428 -2.7638 -2.7638 -2.7063 -2.7063 -2.2836 -2.2836 1.0484 1.0484 1.4876 1.4876 7.5227 7.5227 7.7808 7.7808 8.2842 8.2842 10.0097 10.0097 k =-0.2660 0.4422 0.6295 ( 7026 PWs) bands (ev): -41.7848 -41.7848 -41.7644 -41.7644 -15.6307 -15.6307 -13.7062 -13.7062 -3.7448 -3.7448 -2.7604 -2.7604 -2.7073 -2.7073 -2.2731 -2.2731 1.0536 1.0536 1.4915 1.4915 7.5206 7.5206 7.7781 7.7781 8.2667 8.2667 10.0031 10.0031 k =-0.2718 0.4519 0.6181 ( 7022 PWs) bands (ev): -41.7848 -41.7848 -41.7644 -41.7644 -15.6315 -15.6315 -13.7067 -13.7067 -3.7464 -3.7464 -2.7577 -2.7577 -2.7080 -2.7080 -2.2644 -2.2644 1.0579 1.0579 1.4947 1.4947 7.5181 7.5181 7.7765 7.7765 8.2521 8.2521 9.9979 9.9979 k =-0.2777 0.4616 0.6068 ( 7010 PWs) bands (ev): -41.7849 -41.7849 -41.7643 -41.7643 -15.6320 -15.6320 -13.7070 -13.7070 -3.7477 -3.7477 -2.7555 -2.7555 -2.7086 -2.7086 -2.2576 -2.2576 1.0612 1.0612 1.4974 1.4974 7.5157 7.5157 7.7757 7.7757 8.2405 8.2405 9.9940 9.9940 k =-0.2835 0.4713 0.5954 ( 7016 PWs) bands (ev): -41.7849 -41.7849 -41.7643 -41.7643 -15.6325 -15.6325 -13.7072 -13.7072 -3.7486 -3.7486 -2.7540 -2.7540 -2.7090 -2.7090 -2.2527 -2.2527 1.0635 1.0635 1.4993 1.4993 7.5138 7.5138 7.7754 7.7754 8.2320 8.2320 9.9913 9.9913 k =-0.2894 0.4811 0.5841 ( 7016 PWs) bands (ev): -41.7850 -41.7850 -41.7643 -41.7643 -15.6327 -15.6327 -13.7074 -13.7074 -3.7492 -3.7492 -2.7531 -2.7531 -2.7093 -2.7093 -2.2497 -2.2497 1.0649 1.0649 1.5004 1.5004 7.5125 7.5125 7.7754 7.7754 8.2269 8.2269 9.9896 9.9896 k =-0.2952 0.4908 0.5727 ( 7019 PWs) bands (ev): -41.7850 -41.7850 -41.7643 -41.7643 -15.6328 -15.6328 -13.7074 -13.7074 -3.7494 -3.7494 -2.7528 -2.7528 -2.7094 -2.7094 -2.2487 -2.2487 1.0654 1.0654 1.5008 1.5008 7.5120 7.5120 7.7754 7.7754 8.2252 8.2252 9.9891 9.9891 k =-0.2952 0.4908 0.5727 ( 7019 PWs) bands (ev): -41.7850 -41.7850 -41.7643 -41.7643 -15.6328 -15.6328 -13.7074 -13.7074 -3.7494 -3.7494 -2.7528 -2.7528 -2.7094 -2.7094 -2.2487 -2.2487 1.0654 1.0654 1.5008 1.5008 7.5120 7.5120 7.7754 7.7754 8.2252 8.2252 9.9891 9.9891 k =-0.2894 0.4812 0.5615 ( 7023 PWs) bands (ev): -41.7837 -41.7837 -41.7656 -41.7656 -15.6327 -15.6327 -13.7044 -13.7044 -3.7693 -3.7693 -2.7644 -2.7644 -2.6915 -2.6915 -2.2386 -2.2386 1.0398 1.0398 1.4797 1.4797 7.5488 7.5488 7.8085 7.8085 8.3290 8.3290 9.8793 9.8793 k =-0.2837 0.4715 0.5503 ( 7023 PWs) bands (ev): -41.7823 -41.7823 -41.7669 -41.7669 -15.6329 -15.6329 -13.7014 -13.7014 -3.7881 -3.7881 -2.7754 -2.7754 -2.6729 -2.6729 -2.2287 -2.2287 1.0150 1.0150 1.4582 1.4582 7.5850 7.5850 7.8421 7.8421 8.4342 8.4342 9.7696 9.7696 k =-0.2779 0.4619 0.5391 ( 7021 PWs) bands (ev): -41.7810 -41.7810 -41.7682 -41.7682 -15.6332 -15.6332 -13.6984 -13.6984 -3.8058 -3.8058 -2.7854 -2.7854 -2.6536 -2.6536 -2.2190 -2.2190 0.9910 0.9910 1.4362 1.4362 7.6207 7.6207 7.8762 7.8762 8.5405 8.5405 9.6603 9.6603 k =-0.2721 0.4523 0.5278 ( 7025 PWs) bands (ev): -41.7797 -41.7797 -41.7695 -41.7695 -15.6337 -15.6337 -13.6956 -13.6956 -3.8224 -3.8224 -2.7945 -2.7945 -2.6336 -2.6336 -2.2095 -2.2095 0.9677 0.9677 1.4138 1.4138 7.6560 7.6560 7.9108 7.9108 8.6473 8.6473 9.5519 9.5519 k =-0.2663 0.4427 0.5166 ( 7033 PWs) bands (ev): -41.7783 -41.7783 -41.7708 -41.7708 -15.6344 -15.6344 -13.6927 -13.6927 -3.8379 -3.8379 -2.8024 -2.8024 -2.6129 -2.6129 -2.2002 -2.2002 0.9453 0.9453 1.3910 1.3910 7.6909 7.6909 7.9458 7.9458 8.7538 8.7538 9.4451 9.4451 k =-0.2605 0.4330 0.5054 ( 7029 PWs) bands (ev): -41.7770 -41.7770 -41.7722 -41.7722 -15.6354 -15.6354 -13.6900 -13.6900 -3.8524 -3.8524 -2.8093 -2.8093 -2.5915 -2.5915 -2.1912 -2.1912 0.9237 0.9237 1.3678 1.3678 7.7254 7.7254 7.9812 7.9812 8.8585 8.8585 9.3415 9.3415 k =-0.2547 0.4234 0.4941 ( 7035 PWs) bands (ev): -41.7756 -41.7756 -41.7735 -41.7735 -15.6365 -15.6365 -13.6873 -13.6873 -3.8659 -3.8659 -2.8148 -2.8148 -2.5694 -2.5694 -2.1824 -2.1824 0.9030 0.9030 1.3443 1.3443 7.7594 7.7594 8.0169 8.0169 8.9559 8.9559 9.2465 9.2465 k =-0.2489 0.4138 0.4829 ( 7027 PWs) bands (ev): -41.7748 -41.7748 -41.7743 -41.7743 -15.6379 -15.6379 -13.6847 -13.6847 -3.8785 -3.8785 -2.8190 -2.8190 -2.5465 -2.5465 -2.1740 -2.1740 0.8831 0.8831 1.3206 1.3206 7.7925 7.7925 8.0529 8.0529 9.0163 9.0163 9.1902 9.1902 k =-0.2431 0.4042 0.4717 ( 7031 PWs) bands (ev): -41.7762 -41.7762 -41.7729 -41.7729 -15.6394 -15.6394 -13.6821 -13.6821 -3.8902 -3.8902 -2.8217 -2.8217 -2.5230 -2.5230 -2.1658 -2.1658 0.8641 0.8641 1.2965 1.2965 7.8245 7.8245 8.0892 8.0892 8.9751 8.9751 9.2371 9.2371 k =-0.2373 0.3946 0.4604 ( 7037 PWs) bands (ev): -41.7776 -41.7776 -41.7716 -41.7716 -15.6411 -15.6411 -13.6797 -13.6797 -3.9012 -3.9012 -2.8229 -2.8229 -2.4988 -2.4988 -2.1580 -2.1580 0.8460 0.8460 1.2723 1.2723 7.8547 7.8547 8.1256 8.1256 8.8885 8.8885 9.3316 9.3316 k =-0.2316 0.3849 0.4492 ( 7041 PWs) bands (ev): -41.7789 -41.7789 -41.7703 -41.7703 -15.6431 -15.6431 -13.6773 -13.6773 -3.9114 -3.9114 -2.8225 -2.8225 -2.4740 -2.4740 -2.1505 -2.1505 0.8287 0.8287 1.2479 1.2479 7.8825 7.8825 8.1621 8.1621 8.7958 8.7958 9.4350 9.4350 k =-0.2258 0.3753 0.4380 ( 7025 PWs) bands (ev): -41.7802 -41.7802 -41.7689 -41.7689 -15.6452 -15.6452 -13.6750 -13.6750 -3.9210 -3.9210 -2.8204 -2.8204 -2.4485 -2.4485 -2.1433 -2.1433 0.8122 0.8122 1.2234 1.2234 7.9064 7.9064 8.1987 8.1987 8.7050 8.7050 9.5404 9.5404 k =-0.2200 0.3657 0.4268 ( 7019 PWs) bands (ev): -41.7816 -41.7816 -41.7676 -41.7676 -15.6475 -15.6475 -13.6728 -13.6728 -3.9300 -3.9300 -2.8166 -2.8166 -2.4223 -2.4223 -2.1364 -2.1364 0.7966 0.7966 1.1987 1.1987 7.9246 7.9246 8.2354 8.2354 8.6198 8.6198 9.6460 9.6460 k =-0.2142 0.3561 0.4155 ( 7035 PWs) bands (ev): -41.7829 -41.7829 -41.7663 -41.7663 -15.6500 -15.6500 -13.6707 -13.6707 -3.9384 -3.9384 -2.8110 -2.8110 -2.3955 -2.3955 -2.1299 -2.1299 0.7818 0.7818 1.1741 1.1741 7.9341 7.9341 8.2719 8.2719 8.5436 8.5436 9.7510 9.7510 k =-0.2084 0.3464 0.4043 ( 7039 PWs) bands (ev): -41.7842 -41.7842 -41.7650 -41.7650 -15.6527 -15.6527 -13.6687 -13.6687 -3.9464 -3.9464 -2.8036 -2.8036 -2.3681 -2.3681 -2.1237 -2.1237 0.7678 0.7678 1.1494 1.1494 7.9309 7.9309 8.3084 8.3084 8.4809 8.4809 9.8548 9.8548 k =-0.2026 0.3368 0.3931 ( 7047 PWs) bands (ev): -41.7856 -41.7856 -41.7638 -41.7638 -15.6555 -15.6555 -13.6668 -13.6668 -3.9541 -3.9541 -2.7944 -2.7944 -2.3402 -2.3402 -2.1179 -2.1179 0.7547 0.7547 1.1248 1.1248 7.9107 7.9107 8.3446 8.3446 8.4359 8.4359 9.9571 9.9571 k =-0.1968 0.3272 0.3818 ( 7047 PWs) bands (ev): -41.7869 -41.7869 -41.7625 -41.7625 -15.6584 -15.6584 -13.6650 -13.6650 -3.9613 -3.9613 -2.7834 -2.7834 -2.3117 -2.3117 -2.1125 -2.1125 0.7422 0.7422 1.1002 1.1002 7.8716 7.8716 8.3802 8.3802 8.4110 8.4110 10.0574 10.0574 k =-0.1910 0.3176 0.3706 ( 7047 PWs) bands (ev): -41.7882 -41.7882 -41.7613 -41.7613 -15.6615 -15.6615 -13.6632 -13.6632 -3.9683 -3.9683 -2.7705 -2.7705 -2.2828 -2.2828 -2.1073 -2.1073 0.7306 0.7306 1.0758 1.0758 7.8154 7.8154 8.4016 8.4016 8.4181 8.4181 10.1555 10.1555 k =-0.1852 0.3079 0.3594 ( 7045 PWs) bands (ev): -41.7894 -41.7894 -41.7601 -41.7601 -15.6648 -15.6648 -13.6616 -13.6616 -3.9750 -3.9750 -2.7559 -2.7559 -2.2534 -2.2534 -2.1026 -2.1026 0.7196 0.7196 1.0515 1.0515 7.7463 7.7463 8.4090 8.4090 8.4526 8.4526 10.2509 10.2509 k =-0.1795 0.2983 0.3481 ( 7037 PWs) bands (ev): -41.7907 -41.7907 -41.7589 -41.7589 -15.6681 -15.6681 -13.6601 -13.6601 -3.9815 -3.9815 -2.7394 -2.7394 -2.2235 -2.2235 -2.0981 -2.0981 0.7093 0.7093 1.0275 1.0275 7.6688 7.6688 8.4250 8.4250 8.4874 8.4874 10.3432 10.3432 k =-0.1737 0.2887 0.3369 ( 7033 PWs) bands (ev): -41.7919 -41.7919 -41.7577 -41.7577 -15.6715 -15.6715 -13.6586 -13.6586 -3.9878 -3.9878 -2.7212 -2.7212 -2.1933 -2.1933 -2.0940 -2.0940 0.6997 0.6997 1.0037 1.0037 7.5862 7.5862 8.4470 8.4470 8.5219 8.5219 10.4321 10.4321 k =-0.1679 0.2791 0.3257 ( 7033 PWs) bands (ev): -41.7931 -41.7931 -41.7565 -41.7565 -15.6750 -15.6750 -13.6573 -13.6573 -3.9939 -3.9939 -2.7014 -2.7014 -2.1628 -2.1628 -2.0902 -2.0902 0.6908 0.6908 0.9803 0.9803 7.5007 7.5007 8.4729 8.4729 8.5558 8.5558 10.3805 10.3805 k =-0.1621 0.2695 0.3144 ( 7033 PWs) bands (ev): -41.7943 -41.7943 -41.7554 -41.7554 -15.6786 -15.6786 -13.6560 -13.6560 -3.9999 -3.9999 -2.6800 -2.6800 -2.1321 -2.1321 -2.0866 -2.0866 0.6824 0.6824 0.9572 0.9572 7.4138 7.4138 8.5012 8.5012 8.5891 8.5891 10.2810 10.2810 k =-0.1563 0.2598 0.3032 ( 7025 PWs) bands (ev): -41.7955 -41.7955 -41.7543 -41.7543 -15.6823 -15.6823 -13.6549 -13.6549 -4.0058 -4.0058 -2.6572 -2.6572 -2.1014 -2.1014 -2.0833 -2.0833 0.6746 0.6746 0.9345 0.9345 7.3264 7.3264 8.5311 8.5311 8.6216 8.6216 10.1825 10.1825 k =-0.1505 0.2502 0.2920 ( 7021 PWs) bands (ev): -41.7966 -41.7966 -41.7532 -41.7532 -15.6859 -15.6859 -13.6538 -13.6538 -4.0116 -4.0116 -2.6329 -2.6329 -2.0812 -2.0812 -2.0695 -2.0695 0.6674 0.6674 0.9122 0.9122 7.2392 7.2392 8.5620 8.5620 8.6535 8.6535 10.0853 10.0853 k =-0.1447 0.2406 0.2808 ( 7029 PWs) bands (ev): -41.7978 -41.7978 -41.7522 -41.7522 -15.6897 -15.6897 -13.6528 -13.6528 -4.0172 -4.0172 -2.6074 -2.6074 -2.0782 -2.0782 -2.0388 -2.0388 0.6606 0.6606 0.8904 0.8904 7.1526 7.1526 8.5932 8.5932 8.6845 8.6845 9.9896 9.9896 k =-0.1389 0.2310 0.2695 ( 7025 PWs) bands (ev): -41.7988 -41.7988 -41.7512 -41.7512 -15.6934 -15.6934 -13.6519 -13.6519 -4.0227 -4.0227 -2.5808 -2.5808 -2.0758 -2.0758 -2.0077 -2.0077 0.6544 0.6544 0.8691 0.8691 7.0671 7.0671 8.6247 8.6247 8.7147 8.7147 9.8954 9.8954 k =-0.1331 0.2213 0.2583 ( 7019 PWs) bands (ev): -41.7999 -41.7999 -41.7502 -41.7502 -15.6971 -15.6971 -13.6510 -13.6510 -4.0281 -4.0281 -2.5532 -2.5532 -2.0737 -2.0737 -1.9768 -1.9768 0.6486 0.6486 0.8483 0.8483 6.9829 6.9829 8.6560 8.6560 8.7439 8.7439 9.8031 9.8031 k =-0.1274 0.2117 0.2471 ( 7019 PWs) bands (ev): -41.8009 -41.8009 -41.7493 -41.7493 -15.7008 -15.7008 -13.6503 -13.6503 -4.0333 -4.0333 -2.5248 -2.5248 -2.0719 -2.0719 -1.9461 -1.9461 0.6432 0.6432 0.8282 0.8282 6.9003 6.9003 8.6870 8.6870 8.7722 8.7722 9.7127 9.7127 k =-0.1216 0.2021 0.2358 ( 7019 PWs) bands (ev): -41.8019 -41.8019 -41.7484 -41.7484 -15.7044 -15.7044 -13.6496 -13.6496 -4.0385 -4.0385 -2.4958 -2.4958 -2.0702 -2.0702 -1.9156 -1.9156 0.6382 0.6382 0.8087 0.8087 6.8195 6.8195 8.7176 8.7176 8.7995 8.7995 9.6246 9.6246 k =-0.1158 0.1925 0.2246 ( 7015 PWs) bands (ev): -41.8029 -41.8029 -41.7475 -41.7475 -15.7080 -15.7080 -13.6489 -13.6489 -4.0434 -4.0434 -2.4663 -2.4663 -2.0688 -2.0688 -1.8855 -1.8855 0.6335 0.6335 0.7898 0.7898 6.7407 6.7407 8.7476 8.7476 8.8256 8.8256 9.5389 9.5389 k =-0.1100 0.1828 0.2134 ( 7019 PWs) bands (ev): -41.8038 -41.8038 -41.7467 -41.7467 -15.7116 -15.7116 -13.6484 -13.6484 -4.0483 -4.0483 -2.4364 -2.4364 -2.0676 -2.0676 -1.8559 -1.8559 0.6292 0.6292 0.7717 0.7717 6.6642 6.6642 8.7769 8.7769 8.8507 8.8507 9.4558 9.4558 k =-0.1042 0.1732 0.2021 ( 7021 PWs) bands (ev): -41.8046 -41.8046 -41.7459 -41.7459 -15.7150 -15.7150 -13.6479 -13.6479 -4.0529 -4.0529 -2.4065 -2.4065 -2.0665 -2.0665 -1.8269 -1.8269 0.6252 0.6252 0.7542 0.7542 6.5900 6.5900 8.8054 8.8054 8.8747 8.8747 9.3754 9.3754 k =-0.0984 0.1636 0.1909 ( 7025 PWs) bands (ev): -41.8055 -41.8055 -41.7451 -41.7451 -15.7184 -15.7184 -13.6474 -13.6474 -4.0574 -4.0574 -2.3766 -2.3766 -2.0657 -2.0657 -1.7986 -1.7986 0.6215 0.6215 0.7376 0.7376 6.5184 6.5184 8.8329 8.8329 8.8975 8.8975 9.2981 9.2981 k =-0.0926 0.1540 0.1797 ( 7031 PWs) bands (ev): -41.8063 -41.8063 -41.7444 -41.7444 -15.7216 -15.7216 -13.6470 -13.6470 -4.0617 -4.0617 -2.3470 -2.3470 -2.0649 -2.0649 -1.7712 -1.7712 0.6181 0.6181 0.7217 0.7217 6.4496 6.4496 8.8594 8.8594 8.9191 8.9191 9.2239 9.2239 k =-0.0868 0.1443 0.1685 ( 7041 PWs) bands (ev): -41.8071 -41.8071 -41.7437 -41.7437 -15.7248 -15.7248 -13.6466 -13.6466 -4.0658 -4.0658 -2.3179 -2.3179 -2.0643 -2.0643 -1.7446 -1.7446 0.6149 0.6149 0.7067 0.7067 6.3837 6.3837 8.8849 8.8849 8.9394 8.9394 9.1532 9.1532 k =-0.0810 0.1347 0.1572 ( 7037 PWs) bands (ev): -41.8078 -41.8078 -41.7430 -41.7430 -15.7278 -15.7278 -13.6463 -13.6463 -4.0697 -4.0697 -2.2895 -2.2895 -2.0638 -2.0638 -1.7190 -1.7190 0.6119 0.6119 0.6925 0.6925 6.3210 6.3210 8.9091 8.9091 8.9586 8.9586 9.0859 9.0859 k =-0.0753 0.1251 0.1460 ( 7037 PWs) bands (ev): -41.8084 -41.8084 -41.7424 -41.7424 -15.7306 -15.7306 -13.6461 -13.6461 -4.0733 -4.0733 -2.2619 -2.2619 -2.0634 -2.0634 -1.6946 -1.6946 0.6092 0.6092 0.6792 0.6792 6.2615 6.2615 8.9321 8.9321 8.9765 8.9765 9.0225 9.0225 k =-0.0695 0.1155 0.1348 ( 7043 PWs) bands (ev): -41.8091 -41.8091 -41.7419 -41.7419 -15.7333 -15.7333 -13.6458 -13.6458 -4.0768 -4.0768 -2.2354 -2.2354 -2.0631 -2.0631 -1.6715 -1.6715 0.6067 0.6067 0.6668 0.6668 6.2056 6.2056 8.9536 8.9536 8.9630 8.9630 8.9931 8.9931 k =-0.0637 0.1059 0.1235 ( 7039 PWs) bands (ev): -41.8096 -41.8096 -41.7414 -41.7414 -15.7358 -15.7358 -13.6456 -13.6456 -4.0799 -4.0799 -2.2102 -2.2102 -2.0629 -2.0629 -1.6497 -1.6497 0.6044 0.6044 0.6553 0.6553 6.1534 6.1534 8.9074 8.9074 8.9740 8.9740 9.0085 9.0085 k =-0.0579 0.0962 0.1123 ( 7031 PWs) bands (ev): -41.8102 -41.8102 -41.7409 -41.7409 -15.7381 -15.7381 -13.6455 -13.6455 -4.0829 -4.0829 -2.1865 -2.1865 -2.0627 -2.0627 -1.6294 -1.6294 0.6022 0.6022 0.6448 0.6448 6.1050 6.1050 8.8562 8.8562 8.9927 8.9927 9.0226 9.0226 k =-0.0521 0.0866 0.1011 ( 7031 PWs) bands (ev): -41.8106 -41.8106 -41.7405 -41.7405 -15.7403 -15.7403 -13.6453 -13.6453 -4.0856 -4.0856 -2.1644 -2.1644 -2.0625 -2.0625 -1.6107 -1.6107 0.6002 0.6002 0.6352 0.6352 6.0606 6.0606 8.8093 8.8093 9.0098 9.0098 9.0355 9.0355 k =-0.0463 0.0770 0.0898 ( 7031 PWs) bands (ev): -41.8111 -41.8111 -41.7401 -41.7401 -15.7422 -15.7422 -13.6452 -13.6452 -4.0880 -4.0880 -2.1441 -2.1441 -2.0624 -2.0624 -1.5936 -1.5936 0.5984 0.5984 0.6267 0.6267 6.0204 6.0204 8.7670 8.7670 9.0252 9.0252 9.0471 9.0471 k =-0.0405 0.0674 0.0786 ( 7031 PWs) bands (ev): -41.8114 -41.8114 -41.7397 -41.7397 -15.7439 -15.7439 -13.6451 -13.6451 -4.0901 -4.0901 -2.1258 -2.1258 -2.0623 -2.0623 -1.5783 -1.5783 0.5967 0.5967 0.6192 0.6192 5.9846 5.9846 8.7294 8.7294 9.0388 9.0388 9.0574 9.0574 k =-0.0347 0.0577 0.0674 ( 7035 PWs) bands (ev): -41.8118 -41.8118 -41.7394 -41.7394 -15.7454 -15.7454 -13.6450 -13.6450 -4.0920 -4.0920 -2.1096 -2.1096 -2.0622 -2.0622 -1.5649 -1.5649 0.5950 0.5950 0.6129 0.6129 5.9532 5.9532 8.6965 8.6965 9.0506 9.0506 9.0666 9.0666 k =-0.0289 0.0481 0.0562 ( 7047 PWs) bands (ev): -41.8121 -41.8121 -41.7392 -41.7392 -15.7467 -15.7467 -13.6449 -13.6449 -4.0936 -4.0936 -2.0958 -2.0958 -2.0621 -2.0621 -1.5534 -1.5534 0.5935 0.5935 0.6076 0.6076 5.9264 5.9264 8.6685 8.6685 9.0605 9.0605 9.0745 9.0745 k =-0.0232 0.0385 0.0449 ( 7049 PWs) bands (ev): -41.8123 -41.8123 -41.7390 -41.7390 -15.7478 -15.7478 -13.6449 -13.6449 -4.0949 -4.0949 -2.0845 -2.0845 -2.0618 -2.0618 -1.5439 -1.5439 0.5920 0.5920 0.6036 0.6036 5.9043 5.9043 8.6455 8.6455 9.0685 9.0685 9.0812 9.0812 k =-0.0174 0.0289 0.0337 ( 7061 PWs) bands (ev): -41.8125 -41.8125 -41.7388 -41.7388 -15.7486 -15.7486 -13.6448 -13.6448 -4.0959 -4.0959 -2.0759 -2.0759 -2.0612 -2.0612 -1.5364 -1.5364 0.5905 0.5905 0.6007 0.6007 5.8871 5.8871 8.6275 8.6275 9.0745 9.0745 9.0867 9.0867 k =-0.0116 0.0192 0.0225 ( 7071 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.7492 -15.7492 -13.6448 -13.6448 -4.0966 -4.0966 -2.0704 -2.0704 -2.0602 -2.0602 -1.5311 -1.5311 0.5892 0.5892 0.5989 0.5989 5.8747 5.8747 8.6146 8.6146 9.0787 9.0787 9.0906 9.0906 k =-0.0058 0.0096 0.0112 ( 7075 PWs) bands (ev): -41.8127 -41.8127 -41.7387 -41.7387 -15.7496 -15.7496 -13.6448 -13.6448 -4.0971 -4.0971 -2.0677 -2.0677 -2.0590 -2.0590 -1.5278 -1.5278 0.5884 0.5884 0.5979 0.5979 5.8672 5.8672 8.6069 8.6069 9.0812 9.0812 9.0931 9.0931 k = 0.0000 0.0000 0.0000 ( 7099 PWs) bands (ev): -41.8127 -41.8127 -41.7387 -41.7387 -15.7497 -15.7497 -13.6448 -13.6448 -4.0972 -4.0972 -2.0670 -2.0670 -2.0583 -2.0583 -1.5268 -1.5268 0.5880 0.5880 0.5976 0.5976 5.8648 5.8648 8.6043 8.6043 9.0821 9.0821 9.0939 9.0939 k = 0.0000 0.0000 0.0000 ( 7099 PWs) bands (ev): -41.8127 -41.8127 -41.7387 -41.7387 -15.7497 -15.7497 -13.6448 -13.6448 -4.0972 -4.0972 -2.0670 -2.0670 -2.0583 -2.0583 -1.5268 -1.5268 0.5880 0.5880 0.5976 0.5976 5.8648 5.8648 8.6043 8.6043 9.0821 9.0821 9.0939 9.0939 k = 0.0135 0.0081-0.0000 ( 7075 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7496 -15.7496 -13.6450 -13.6450 -4.0961 -4.0961 -2.0681 -2.0681 -2.0594 -2.0594 -1.5281 -1.5281 0.5903 0.5903 0.5998 0.5998 5.8646 5.8646 8.6060 8.6060 9.0783 9.0783 9.0901 9.0901 k = 0.0270 0.0163-0.0000 ( 7063 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7492 -15.7492 -13.6458 -13.6458 -4.0929 -4.0929 -2.0712 -2.0712 -2.0626 -2.0626 -1.5323 -1.5323 0.5970 0.5970 0.6065 0.6065 5.8641 5.8641 8.6113 8.6113 9.0669 9.0669 9.0787 9.0787 k = 0.0405 0.0244-0.0000 ( 7047 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7486 -15.7486 -13.6470 -13.6470 -4.0876 -4.0876 -2.0764 -2.0764 -2.0678 -2.0678 -1.5392 -1.5392 0.6081 0.6081 0.6177 0.6177 5.8633 5.8633 8.6202 8.6202 9.0481 9.0481 9.0598 9.0598 k = 0.0541 0.0325-0.0000 ( 7047 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7477 -15.7477 -13.6487 -13.6487 -4.0801 -4.0801 -2.0836 -2.0836 -2.0749 -2.0749 -1.5488 -1.5488 0.6236 0.6236 0.6331 0.6331 5.8621 5.8621 8.6327 8.6327 9.0221 9.0221 9.0338 9.0338 k = 0.0676 0.0406-0.0000 ( 7055 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7466 -15.7466 -13.6508 -13.6508 -4.0706 -4.0706 -2.0926 -2.0926 -2.0840 -2.0840 -1.5611 -1.5611 0.6432 0.6432 0.6528 0.6528 5.8605 5.8605 8.6489 8.6489 8.9892 8.9892 9.0007 9.0007 k = 0.0811 0.0488-0.0000 ( 7043 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7453 -15.7453 -13.6534 -13.6534 -4.0589 -4.0589 -2.1034 -2.1034 -2.0948 -2.0948 -1.5761 -1.5761 0.6668 0.6668 0.6764 0.6764 5.8583 5.8583 8.6690 8.6690 8.9496 8.9496 8.9610 8.9610 k = 0.0946 0.0569-0.0000 ( 7027 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7437 -15.7437 -13.6565 -13.6565 -4.0452 -4.0452 -2.1157 -2.1157 -2.1072 -2.1072 -1.5936 -1.5936 0.6942 0.6942 0.7039 0.7039 5.8556 5.8556 8.6929 8.6929 8.9038 8.9038 8.9151 8.9151 k = 0.1081 0.0650-0.0000 ( 7035 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7419 -15.7419 -13.6599 -13.6599 -4.0294 -4.0294 -2.1295 -2.1295 -2.1210 -2.1210 -1.6136 -1.6136 0.7253 0.7253 0.7350 0.7350 5.8523 5.8523 8.7209 8.7209 8.8522 8.8522 8.8634 8.8634 k = 0.1216 0.0732-0.0000 ( 7011 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7400 -15.7400 -13.6638 -13.6638 -4.0116 -4.0116 -2.1446 -2.1446 -2.1361 -2.1361 -1.6361 -1.6361 0.7597 0.7597 0.7695 0.7695 5.8482 5.8482 8.7530 8.7530 8.7954 8.7954 8.8063 8.8063 k = 0.1351 0.0813-0.0000 ( 6999 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7378 -15.7378 -13.6679 -13.6679 -3.9919 -3.9919 -2.1608 -2.1608 -2.1522 -2.1522 -1.6610 -1.6610 0.7972 0.7972 0.8071 0.8071 5.8434 5.8434 8.7337 8.7337 8.7445 8.7445 8.7894 8.7894 k = 0.1486 0.0894-0.0000 ( 7003 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7355 -15.7355 -13.6725 -13.6725 -3.9701 -3.9701 -2.1778 -2.1778 -2.1693 -2.1693 -1.6882 -1.6882 0.8375 0.8375 0.8475 0.8475 5.8378 5.8378 8.6678 8.6678 8.6784 8.6784 8.8300 8.8300 k = 0.1622 0.0975-0.0000 ( 6995 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7330 -15.7330 -13.6773 -13.6773 -3.9465 -3.9465 -2.1956 -2.1956 -2.1871 -2.1871 -1.7175 -1.7175 0.8805 0.8805 0.8905 0.8905 5.8314 5.8314 8.5982 8.5982 8.6086 8.6086 8.8751 8.8751 k = 0.1757 0.1057-0.0000 ( 7003 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7303 -15.7303 -13.6824 -13.6824 -3.9210 -3.9210 -2.2140 -2.2140 -2.2055 -2.2055 -1.7490 -1.7490 0.9257 0.9257 0.9358 0.9358 5.8242 5.8242 8.5254 8.5254 8.5355 8.5355 8.9246 8.9246 k = 0.1892 0.1138-0.0000 ( 7003 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7276 -15.7276 -13.6877 -13.6877 -3.8937 -3.8937 -2.2327 -2.2327 -2.2243 -2.2243 -1.7825 -1.7825 0.9729 0.9729 0.9831 0.9831 5.8161 5.8161 8.4498 8.4498 8.4598 8.4598 8.9785 8.9785 k = 0.2027 0.1219-0.0000 ( 7011 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7247 -15.7247 -13.6932 -13.6932 -3.8647 -3.8647 -2.2517 -2.2517 -2.2433 -2.2433 -1.8178 -1.8178 1.0218 1.0218 1.0320 1.0320 5.8072 5.8072 8.3722 8.3722 8.3820 8.3820 9.0370 9.0370 k = 0.2162 0.1301-0.0000 ( 7019 PWs) bands (ev): -41.8127 -41.8127 -41.7386 -41.7386 -15.7217 -15.7217 -13.6989 -13.6989 -3.8339 -3.8339 -2.2708 -2.2708 -2.2624 -2.2624 -1.8550 -1.8550 1.0721 1.0721 1.0824 1.0824 5.7975 5.7975 8.2930 8.2930 8.3026 8.3026 9.0998 9.0998 k = 0.2297 0.1382-0.0000 ( 7018 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7187 -15.7187 -13.7047 -13.7047 -3.8014 -3.8014 -2.2898 -2.2898 -2.2814 -2.2814 -1.8939 -1.8939 1.1234 1.1234 1.1339 1.1339 5.7872 5.7872 8.2127 8.2127 8.2221 8.2221 9.1669 9.1669 k = 0.2432 0.1463-0.0000 ( 7018 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7156 -15.7156 -13.7105 -13.7105 -3.7674 -3.7674 -2.3086 -2.3086 -2.3002 -2.3002 -1.9343 -1.9343 1.1756 1.1756 1.1861 1.1861 5.7763 5.7763 8.1319 8.1319 8.1411 8.1411 9.2383 9.2383 k = 0.2568 0.1545-0.0000 ( 7010 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7125 -15.7125 -13.7164 -13.7164 -3.7318 -3.7318 -2.3271 -2.3271 -2.3187 -2.3187 -1.9763 -1.9763 1.2282 1.2282 1.2388 1.2388 5.7649 5.7649 8.0511 8.0511 8.0600 8.0600 9.3137 9.3137 k = 0.2703 0.1626-0.0000 ( 7034 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7093 -15.7093 -13.7223 -13.7223 -3.6947 -3.6947 -2.3451 -2.3451 -2.3368 -2.3368 -2.0196 -2.0196 1.2809 1.2809 1.2916 1.2916 5.7531 5.7531 7.9707 7.9707 7.9794 7.9794 9.3930 9.3930 k = 0.2838 0.1707-0.0000 ( 7034 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.7062 -15.7062 -13.7282 -13.7282 -3.6561 -3.6561 -2.3627 -2.3627 -2.3543 -2.3543 -2.0642 -2.0642 1.3334 1.3334 1.3442 1.3442 5.7410 5.7410 7.8914 7.8914 7.8999 7.8999 9.4760 9.4760 k = 0.2973 0.1788-0.0000 ( 7022 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.7032 -15.7032 -13.7339 -13.7339 -3.6163 -3.6163 -2.3795 -2.3795 -2.3713 -2.3713 -2.1100 -2.1100 1.3853 1.3853 1.3963 1.3963 5.7288 5.7288 7.8135 7.8135 7.8218 7.8218 9.5623 9.5623 k = 0.3108 0.1870-0.0000 ( 7030 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.7002 -15.7002 -13.7395 -13.7395 -3.5752 -3.5752 -2.3957 -2.3957 -2.3874 -2.3874 -2.1568 -2.1568 1.4363 1.4363 1.4474 1.4474 5.7166 5.7166 7.7376 7.7376 7.7457 7.7457 9.6517 9.6517 k = 0.3243 0.1951-0.0000 ( 7026 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6973 -15.6973 -13.7449 -13.7449 -3.5328 -3.5328 -2.4111 -2.4111 -2.4028 -2.4028 -2.2045 -2.2045 1.4861 1.4861 1.4972 1.4972 5.7046 5.7046 7.6641 7.6641 7.6721 7.6721 9.7438 9.7438 k = 0.3378 0.2032-0.0000 ( 7026 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6945 -15.6945 -13.7501 -13.7501 -3.4894 -3.4894 -2.4256 -2.4256 -2.4173 -2.4173 -2.2531 -2.2531 1.5342 1.5342 1.5454 1.5454 5.6928 5.6928 7.5936 7.5936 7.6014 7.6014 9.8381 9.8381 k = 0.3514 0.2114-0.0000 ( 7018 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6918 -15.6918 -13.7551 -13.7551 -3.4449 -3.4449 -2.4391 -2.4391 -2.4309 -2.4309 -2.3024 -2.3024 1.5803 1.5803 1.5916 1.5916 5.6814 5.6814 7.5266 7.5266 7.5342 7.5342 9.9341 9.9341 k = 0.3649 0.2195-0.0000 ( 7006 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6893 -15.6893 -13.7597 -13.7597 -3.3995 -3.3995 -2.4517 -2.4517 -2.4435 -2.4435 -2.3523 -2.3523 1.6240 1.6240 1.6355 1.6355 5.6705 5.6705 7.4634 7.4634 7.4708 7.4708 10.0312 10.0312 k = 0.3784 0.2276-0.0000 ( 7010 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6869 -15.6869 -13.7641 -13.7641 -3.3532 -3.3532 -2.4633 -2.4633 -2.4550 -2.4550 -2.4026 -2.4026 1.6650 1.6650 1.6765 1.6765 5.6603 5.6603 7.4046 7.4046 7.4119 7.4119 10.1285 10.1285 k = 0.3919 0.2357-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6848 -15.6848 -13.7680 -13.7680 -3.3063 -3.3063 -2.4738 -2.4738 -2.4654 -2.4654 -2.4530 -2.4530 1.7028 1.7028 1.7145 1.7145 5.6508 5.6508 7.3506 7.3506 7.3577 7.3577 10.2250 10.2250 k = 0.4054 0.2439-0.0000 ( 7010 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6828 -15.6828 -13.7716 -13.7716 -3.2589 -3.2589 -2.5043 -2.5043 -2.4826 -2.4826 -2.4747 -2.4747 1.7372 1.7372 1.7490 1.7490 5.6422 5.6422 7.3018 7.3018 7.3088 7.3088 10.3195 10.3195 k = 0.4189 0.2520-0.0000 ( 7018 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6811 -15.6811 -13.7748 -13.7748 -3.2111 -3.2111 -2.5548 -2.5548 -2.4909 -2.4909 -2.4828 -2.4828 1.7678 1.7678 1.7796 1.7796 5.6346 5.6346 7.2586 7.2586 7.2655 7.2655 10.4103 10.4103 k = 0.4324 0.2601-0.0000 ( 7018 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6796 -15.6796 -13.7775 -13.7775 -3.1634 -3.1634 -2.6050 -2.6050 -2.4978 -2.4978 -2.4897 -2.4897 1.7943 1.7943 1.8062 1.8062 5.6280 5.6280 7.2213 7.2213 7.2281 7.2281 10.4955 10.4955 k = 0.4459 0.2683-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7387 -41.7387 -15.6784 -15.6784 -13.7797 -13.7797 -3.1163 -3.1163 -2.6542 -2.6542 -2.5035 -2.5035 -2.4954 -2.4954 1.8164 1.8164 1.8283 1.8283 5.6225 5.6225 7.1904 7.1904 7.1971 7.1971 10.5723 10.5723 k = 0.4595 0.2764-0.0000 ( 6994 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6774 -15.6774 -13.7815 -13.7815 -3.0707 -3.0707 -2.7013 -2.7013 -2.5080 -2.5080 -2.4999 -2.4999 1.8338 1.8338 1.8458 1.8458 5.6181 5.6181 7.1661 7.1661 7.1727 7.1727 10.6377 10.6377 k = 0.4730 0.2845-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6767 -15.6767 -13.7828 -13.7828 -3.0289 -3.0289 -2.7443 -2.7443 -2.5112 -2.5112 -2.5031 -2.5031 1.8464 1.8464 1.8584 1.8584 5.6150 5.6150 7.1485 7.1485 7.1551 7.1551 10.6881 10.6881 k = 0.4865 0.2926-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6763 -15.6763 -13.7835 -13.7835 -2.9961 -2.9961 -2.7778 -2.7778 -2.5131 -2.5131 -2.5050 -2.5050 1.8540 1.8540 1.8661 1.8661 5.6131 5.6131 7.1379 7.1379 7.1444 7.1444 10.7202 10.7202 k = 0.5000 0.3008-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6762 -15.6762 -13.7838 -13.7838 -2.9826 -2.9826 -2.7915 -2.7915 -2.5137 -2.5137 -2.5056 -2.5056 1.8566 1.8566 1.8686 1.8686 5.6125 5.6125 7.1343 7.1343 7.1409 7.1409 10.7312 10.7312 k = 0.5000 0.3008-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6762 -15.6762 -13.7838 -13.7838 -2.9826 -2.9826 -2.7915 -2.7915 -2.5137 -2.5137 -2.5056 -2.5056 1.8566 1.8566 1.8686 1.8686 5.6125 5.6125 7.1343 7.1343 7.1409 7.1409 10.7312 10.7312 k = 0.4941 0.3105 0.0113 ( 6998 PWs) bands (ev): -41.8125 -41.8125 -41.7387 -41.7387 -15.6761 -15.6761 -13.7837 -13.7837 -2.9824 -2.9824 -2.7939 -2.7939 -2.5133 -2.5133 -2.5052 -2.5052 1.8559 1.8559 1.8680 1.8680 5.6151 5.6151 7.1348 7.1348 7.1413 7.1413 10.7327 10.7327 k = 0.4883 0.3202 0.0227 ( 7006 PWs) bands (ev): -41.8125 -41.8125 -41.7387 -41.7387 -15.6759 -15.6759 -13.7834 -13.7834 -2.9818 -2.9818 -2.8009 -2.8009 -2.5119 -2.5119 -2.5038 -2.5038 1.8537 1.8537 1.8662 1.8662 5.6232 5.6232 7.1360 7.1360 7.1426 7.1426 10.7375 10.7375 k = 0.4824 0.3300 0.0340 ( 7002 PWs) bands (ev): -41.8123 -41.8123 -41.7389 -41.7389 -15.6755 -15.6755 -13.7830 -13.7830 -2.9809 -2.9809 -2.8123 -2.8123 -2.5099 -2.5099 -2.5016 -2.5016 1.8496 1.8496 1.8636 1.8636 5.6365 5.6365 7.1380 7.1380 7.1450 7.1450 10.7453 10.7453 k = 0.4766 0.3397 0.0454 ( 6990 PWs) bands (ev): -41.8121 -41.8121 -41.7390 -41.7390 -15.6749 -15.6749 -13.7824 -13.7824 -2.9796 -2.9796 -2.8275 -2.8275 -2.5075 -2.5075 -2.4987 -2.4987 1.8433 1.8433 1.8607 1.8607 5.6552 5.6552 7.1405 7.1405 7.1484 7.1484 10.7563 10.7563 k = 0.4707 0.3494 0.0567 ( 6994 PWs) bands (ev): -41.8119 -41.8119 -41.7392 -41.7392 -15.6743 -15.6743 -13.7817 -13.7817 -2.9779 -2.9779 -2.8462 -2.8462 -2.5046 -2.5046 -2.4955 -2.4955 1.8346 1.8346 1.8575 1.8575 5.6790 5.6790 7.1437 7.1437 7.1531 7.1531 10.7703 10.7703 k = 0.4649 0.3591 0.0681 ( 6998 PWs) bands (ev): -41.8116 -41.8116 -41.7395 -41.7395 -15.6734 -15.6734 -13.7808 -13.7808 -2.9758 -2.9758 -2.8678 -2.8678 -2.5014 -2.5014 -2.4923 -2.4923 1.8236 1.8236 1.8541 1.8541 5.7079 5.7079 7.1474 7.1474 7.1591 7.1591 10.7873 10.7873 k = 0.4590 0.3689 0.0794 ( 7000 PWs) bands (ev): -41.8113 -41.8113 -41.7398 -41.7398 -15.6725 -15.6725 -13.7797 -13.7797 -2.9734 -2.9734 -2.8920 -2.8920 -2.4978 -2.4978 -2.4894 -2.4894 1.8106 1.8106 1.8502 1.8502 5.7418 5.7418 7.1516 7.1516 7.1662 7.1662 10.8072 10.8072 k = 0.4532 0.3786 0.0908 ( 6986 PWs) bands (ev): -41.8109 -41.8109 -41.7401 -41.7401 -15.6714 -15.6714 -13.7785 -13.7785 -2.9705 -2.9705 -2.9184 -2.9184 -2.4942 -2.4942 -2.4867 -2.4867 1.7957 1.7957 1.8459 1.8459 5.7806 5.7806 7.1566 7.1566 7.1745 7.1745 10.8300 10.8300 k = 0.4473 0.3883 0.1021 ( 6990 PWs) bands (ev): -41.8104 -41.8104 -41.7405 -41.7405 -15.6701 -15.6701 -13.7771 -13.7771 -2.9673 -2.9673 -2.9466 -2.9466 -2.4912 -2.4912 -2.4839 -2.4839 1.7789 1.7789 1.8410 1.8410 5.8240 5.8240 7.1624 7.1624 7.1840 7.1840 10.8556 10.8556 k = 0.4415 0.3980 0.1135 ( 6994 PWs) bands (ev): -41.8099 -41.8099 -41.7410 -41.7410 -15.6688 -15.6688 -13.7756 -13.7756 -2.9766 -2.9766 -2.9635 -2.9635 -2.4898 -2.4898 -2.4800 -2.4800 1.7604 1.7604 1.8356 1.8356 5.8721 5.8721 7.1690 7.1690 7.1946 7.1946 10.8838 10.8838 k = 0.4356 0.4078 0.1248 ( 6996 PWs) bands (ev): -41.8094 -41.8094 -41.7415 -41.7415 -15.6674 -15.6674 -13.7739 -13.7739 -3.0078 -3.0078 -2.9595 -2.9595 -2.4902 -2.4902 -2.4749 -2.4749 1.7403 1.7403 1.8297 1.8297 5.9244 5.9244 7.1764 7.1764 7.2063 7.2063 10.9147 10.9147 k = 0.4298 0.4175 0.1362 ( 6996 PWs) bands (ev): -41.8088 -41.8088 -41.7420 -41.7420 -15.6658 -15.6658 -13.7721 -13.7721 -3.0401 -3.0401 -2.9550 -2.9550 -2.4921 -2.4921 -2.4690 -2.4690 1.7187 1.7187 1.8232 1.8232 5.9810 5.9810 7.1849 7.1849 7.2190 7.2190 10.9480 10.9480 k = 0.4239 0.4272 0.1475 ( 6992 PWs) bands (ev): -41.8082 -41.8082 -41.7426 -41.7426 -15.6642 -15.6642 -13.7702 -13.7702 -3.0733 -3.0733 -2.9501 -2.9501 -2.4954 -2.4954 -2.4625 -2.4625 1.6958 1.6958 1.8161 1.8161 6.0415 6.0415 7.1944 7.1944 7.2329 7.2329 10.9836 10.9836 k = 0.4181 0.4369 0.1589 ( 6998 PWs) bands (ev): -41.8075 -41.8075 -41.7432 -41.7432 -15.6625 -15.6625 -13.7681 -13.7681 -3.1073 -3.1073 -2.9448 -2.9448 -2.4999 -2.4999 -2.4554 -2.4554 1.6715 1.6715 1.8084 1.8084 6.1058 6.1058 7.2050 7.2050 7.2478 7.2478 11.0215 11.0215 k = 0.4122 0.4467 0.1702 ( 6996 PWs) bands (ev): -41.8068 -41.8068 -41.7438 -41.7438 -15.6608 -15.6608 -13.7659 -13.7659 -3.1418 -3.1418 -2.9390 -2.9390 -2.5055 -2.5055 -2.4479 -2.4479 1.6461 1.6461 1.8001 1.8001 6.1736 6.1736 7.2169 7.2169 7.2638 7.2638 11.0615 11.0615 k = 0.4064 0.4564 0.1816 ( 6992 PWs) bands (ev): -41.8060 -41.8060 -41.7445 -41.7445 -15.6589 -15.6589 -13.7636 -13.7636 -3.1766 -3.1766 -2.9327 -2.9327 -2.5124 -2.5124 -2.4400 -2.4400 1.6197 1.6197 1.7912 1.7912 6.2446 6.2446 7.2302 7.2302 7.2808 7.2808 11.1035 11.1035 k = 0.4005 0.4661 0.1929 ( 6998 PWs) bands (ev): -41.8052 -41.8052 -41.7453 -41.7453 -15.6571 -15.6571 -13.7612 -13.7612 -3.2117 -3.2117 -2.9259 -2.9259 -2.5203 -2.5203 -2.4317 -2.4317 1.5924 1.5924 1.7817 1.7817 6.3187 6.3187 7.2449 7.2449 7.2989 7.2989 11.1474 11.1474 k = 0.3947 0.4758 0.2043 ( 6998 PWs) bands (ev): -41.8044 -41.8044 -41.7460 -41.7460 -15.6552 -15.6552 -13.7587 -13.7587 -3.2469 -3.2469 -2.9187 -2.9187 -2.5292 -2.5292 -2.4231 -2.4231 1.5643 1.5643 1.7715 1.7715 6.3954 6.3954 7.2612 7.2612 7.3179 7.3179 11.1930 11.1930 k = 0.3888 0.4856 0.2156 ( 6976 PWs) bands (ev): -41.8035 -41.8035 -41.7468 -41.7468 -15.6533 -15.6533 -13.7561 -13.7561 -3.2819 -3.2819 -2.9110 -2.9110 -2.5390 -2.5390 -2.4141 -2.4141 1.5355 1.5355 1.7607 1.7607 6.4744 6.4744 7.2793 7.2793 7.3379 7.3379 11.2401 11.2401 k = 0.3830 0.4953 0.2270 ( 6996 PWs) bands (ev): -41.8025 -41.8025 -41.7477 -41.7477 -15.6515 -15.6515 -13.7534 -13.7534 -3.3168 -3.3168 -2.9028 -2.9028 -2.5498 -2.5498 -2.4048 -2.4048 1.5061 1.5061 1.7493 1.7493 6.5553 6.5553 7.2995 7.2995 7.3589 7.3589 11.2888 11.2888 k = 0.3771 0.5050 0.2383 ( 6990 PWs) bands (ev): -41.8016 -41.8016 -41.7486 -41.7486 -15.6496 -15.6496 -13.7506 -13.7506 -3.3514 -3.3514 -2.8940 -2.8940 -2.5613 -2.5613 -2.3952 -2.3952 1.4763 1.4763 1.7372 1.7372 6.6378 6.6378 7.3220 7.3220 7.3808 7.3808 11.3387 11.3387 k = 0.3713 0.5147 0.2497 ( 7001 PWs) bands (ev): -41.8006 -41.8006 -41.7495 -41.7495 -15.6478 -15.6478 -13.7477 -13.7477 -3.3855 -3.3855 -2.8847 -2.8847 -2.5735 -2.5735 -2.3854 -2.3854 1.4461 1.4461 1.7245 1.7245 6.7211 6.7211 7.3473 7.3473 7.4037 7.4037 11.3109 11.3109 k = 0.3654 0.5245 0.2610 ( 7007 PWs) bands (ev): -41.7995 -41.7995 -41.7505 -41.7505 -15.6460 -15.6460 -13.7448 -13.7448 -3.4190 -3.4190 -2.8749 -2.8749 -2.5863 -2.5863 -2.3754 -2.3754 1.4157 1.4157 1.7111 1.7111 6.8046 6.8046 7.3758 7.3758 7.4274 7.4274 11.2260 11.2260 k = 0.3596 0.5342 0.2724 ( 7013 PWs) bands (ev): -41.7985 -41.7985 -41.7515 -41.7515 -15.6442 -15.6442 -13.7418 -13.7418 -3.4519 -3.4519 -2.8645 -2.8645 -2.5996 -2.5996 -2.3652 -2.3652 1.3852 1.3852 1.6970 1.6970 6.8873 6.8873 7.4085 7.4085 7.4521 7.4521 11.1369 11.1369 k = 0.3537 0.5439 0.2837 ( 7013 PWs) bands (ev): -41.7974 -41.7974 -41.7525 -41.7525 -15.6426 -15.6426 -13.7388 -13.7388 -3.4840 -3.4840 -2.8536 -2.8536 -2.6134 -2.6134 -2.3548 -2.3548 1.3546 1.3546 1.6823 1.6823 6.9681 6.9681 7.4461 7.4461 7.4777 7.4777 11.0439 11.0439 k = 0.3479 0.5536 0.2951 ( 7001 PWs) bands (ev): -41.7962 -41.7962 -41.7536 -41.7536 -15.6410 -15.6410 -13.7357 -13.7357 -3.5153 -3.5153 -2.8420 -2.8420 -2.6275 -2.6275 -2.3443 -2.3443 1.3241 1.3241 1.6669 1.6669 7.0456 7.0456 7.4899 7.4899 7.5044 7.5044 10.9476 10.9476 k = 0.3420 0.5634 0.3064 ( 7007 PWs) bands (ev): -41.7951 -41.7951 -41.7547 -41.7547 -15.6395 -15.6395 -13.7326 -13.7326 -3.5456 -3.5456 -2.8299 -2.8299 -2.6418 -2.6418 -2.3337 -2.3337 1.2937 1.2937 1.6509 1.6509 7.1184 7.1184 7.5304 7.5304 7.5426 7.5426 10.8483 10.8483 k = 0.3362 0.5731 0.3178 ( 7015 PWs) bands (ev): -41.7939 -41.7939 -41.7558 -41.7558 -15.6382 -15.6382 -13.7294 -13.7294 -3.5750 -3.5750 -2.8171 -2.8171 -2.6563 -2.6563 -2.3230 -2.3230 1.2636 1.2636 1.6343 1.6343 7.1852 7.1852 7.5589 7.5589 7.6024 7.6024 10.7464 10.7464 k = 0.3303 0.5828 0.3291 ( 7023 PWs) bands (ev): -41.7927 -41.7927 -41.7569 -41.7569 -15.6370 -15.6370 -13.7263 -13.7263 -3.6034 -3.6034 -2.8037 -2.8037 -2.6708 -2.6708 -2.3123 -2.3123 1.2338 1.2338 1.6170 1.6170 7.2454 7.2454 7.5877 7.5877 7.6717 7.6717 10.6423 10.6423 k = 0.3245 0.5925 0.3405 ( 7027 PWs) bands (ev): -41.7914 -41.7914 -41.7581 -41.7581 -15.6359 -15.6359 -13.7231 -13.7231 -3.6306 -3.6306 -2.7897 -2.7897 -2.6852 -2.6852 -2.3016 -2.3016 1.2044 1.2044 1.5991 1.5991 7.2994 7.2994 7.6173 7.6173 7.7495 7.7495 10.5364 10.5364 k = 0.3186 0.6023 0.3518 ( 7031 PWs) bands (ev): -41.7902 -41.7902 -41.7593 -41.7593 -15.6349 -15.6349 -13.7199 -13.7199 -3.6567 -3.6567 -2.7750 -2.7750 -2.6994 -2.6994 -2.2908 -2.2908 1.1754 1.1754 1.5806 1.5806 7.3481 7.3481 7.6476 7.6476 7.8349 7.8349 10.4288 10.4288 k = 0.3128 0.6120 0.3632 ( 7021 PWs) bands (ev): -41.7889 -41.7889 -41.7605 -41.7605 -15.6341 -15.6341 -13.7168 -13.7168 -3.6817 -3.6817 -2.7597 -2.7597 -2.7134 -2.7134 -2.2802 -2.2802 1.1470 1.1470 1.5615 1.5615 7.3927 7.3927 7.6786 7.6786 7.9263 7.9263 10.3201 10.3201 k = 0.3069 0.6217 0.3745 ( 7019 PWs) bands (ev): -41.7876 -41.7876 -41.7618 -41.7618 -15.6335 -15.6335 -13.7136 -13.7136 -3.7054 -3.7054 -2.7438 -2.7438 -2.7268 -2.7268 -2.2696 -2.2696 1.1191 1.1191 1.5418 1.5418 7.4343 7.4343 7.7102 7.7102 8.0225 8.0225 10.2104 10.2104 k = 0.3011 0.6314 0.3859 ( 7011 PWs) bands (ev): -41.7863 -41.7863 -41.7630 -41.7630 -15.6331 -15.6331 -13.7105 -13.7105 -3.7280 -3.7280 -2.7404 -2.7404 -2.7266 -2.7266 -2.2591 -2.2591 1.0919 1.0919 1.5216 1.5216 7.4739 7.4739 7.7425 7.7425 8.1225 8.1225 10.0999 10.0999 k = 0.2952 0.6412 0.3972 ( 7019 PWs) bands (ev): -41.7850 -41.7850 -41.7643 -41.7643 -15.6328 -15.6328 -13.7074 -13.7074 -3.7494 -3.7494 -2.7528 -2.7528 -2.7094 -2.7094 -2.2487 -2.2487 1.0654 1.0654 1.5008 1.5008 7.5120 7.5120 7.7754 7.7754 8.2252 8.2252 9.9891 9.9891 k = 0.2952 0.6412 0.3972 ( 7019 PWs) bands (ev): -41.7850 -41.7850 -41.7643 -41.7643 -15.6328 -15.6328 -13.7074 -13.7074 -3.7494 -3.7494 -2.7528 -2.7528 -2.7094 -2.7094 -2.2487 -2.2487 1.0654 1.0654 1.5008 1.5008 7.5120 7.5120 7.7754 7.7754 8.2252 8.2252 9.9891 9.9891 k = 0.2805 0.6374 0.4016 ( 7019 PWs) bands (ev): -41.7845 -41.7845 -41.7648 -41.7648 -15.6328 -15.6328 -13.7062 -13.7062 -3.7566 -3.7566 -2.7816 -2.7816 -2.6786 -2.6786 -2.2446 -2.2446 1.0544 1.0544 1.4921 1.4921 7.5279 7.5279 7.7892 7.7892 8.2657 8.2657 9.9457 9.9457 k = 0.2657 0.6337 0.4060 ( 7026 PWs) bands (ev): -41.7840 -41.7840 -41.7653 -41.7653 -15.6329 -15.6329 -13.7048 -13.7048 -3.7622 -3.7622 -2.8223 -2.8223 -2.6362 -2.6362 -2.2402 -2.2402 1.0418 1.0418 1.4823 1.4823 7.5465 7.5465 7.8048 7.8048 8.3069 8.3069 9.9012 9.9012 k = 0.2509 0.6299 0.4104 ( 7018 PWs) bands (ev): -41.7834 -41.7834 -41.7658 -41.7658 -15.6330 -15.6330 -13.7034 -13.7034 -3.7662 -3.7662 -2.8642 -2.8642 -2.5931 -2.5931 -2.2355 -2.2355 1.0279 1.0279 1.4716 1.4716 7.5677 7.5677 7.8221 7.8221 8.3485 8.3485 9.8560 9.8560 k = 0.2362 0.6261 0.4148 ( 7013 PWs) bands (ev): -41.7829 -41.7829 -41.7663 -41.7663 -15.6332 -15.6332 -13.7019 -13.7019 -3.7684 -3.7684 -2.9062 -2.9062 -2.5503 -2.5503 -2.2306 -2.2306 1.0126 1.0126 1.4602 1.4602 7.5911 7.5911 7.8406 7.8406 8.3904 8.3904 9.8103 9.8103 k = 0.2214 0.6224 0.4192 ( 7017 PWs) bands (ev): -41.7824 -41.7824 -41.7668 -41.7668 -15.6335 -15.6335 -13.7004 -13.7004 -3.7690 -3.7690 -2.9480 -2.9480 -2.5085 -2.5085 -2.2256 -2.2256 0.9964 0.9964 1.4483 1.4483 7.6167 7.6167 7.8601 7.8601 8.4323 8.4323 9.7642 9.7642 k = 0.2067 0.6186 0.4236 ( 7010 PWs) bands (ev): -41.7819 -41.7819 -41.7673 -41.7673 -15.6338 -15.6338 -13.6988 -13.6988 -3.7680 -3.7680 -2.9893 -2.9893 -2.4677 -2.4677 -2.2206 -2.2206 0.9794 0.9794 1.4361 1.4361 7.6441 7.6441 7.8804 7.8804 8.4740 8.4740 9.7182 9.7182 k = 0.1919 0.6149 0.4280 ( 7014 PWs) bands (ev): -41.7814 -41.7814 -41.7678 -41.7678 -15.6341 -15.6341 -13.6973 -13.6973 -3.7653 -3.7653 -3.0299 -3.0299 -2.4283 -2.4283 -2.2155 -2.2155 0.9619 0.9619 1.4237 1.4237 7.6730 7.6730 7.9011 7.9011 8.5152 8.5152 9.6724 9.6724 k = 0.1771 0.6111 0.4323 ( 7015 PWs) bands (ev): -41.7808 -41.7808 -41.7683 -41.7683 -15.6345 -15.6345 -13.6958 -13.6958 -3.7610 -3.7610 -3.0698 -3.0698 -2.3906 -2.3906 -2.2105 -2.2105 0.9441 0.9441 1.4114 1.4114 7.7031 7.7031 7.9218 7.9218 8.5554 8.5554 9.6274 9.6274 k = 0.1624 0.6073 0.4367 ( 7017 PWs) bands (ev): -41.7803 -41.7803 -41.7688 -41.7688 -15.6349 -15.6349 -13.6943 -13.6943 -3.7552 -3.7552 -3.1087 -3.1087 -2.3547 -2.3547 -2.2057 -2.2057 0.9263 0.9263 1.3994 1.3994 7.7340 7.7340 7.9424 7.9424 8.5944 8.5944 9.5835 9.5835 k = 0.1476 0.6036 0.4411 ( 7017 PWs) bands (ev): -41.7798 -41.7798 -41.7694 -41.7694 -15.6353 -15.6353 -13.6929 -13.6929 -3.7479 -3.7479 -3.1465 -3.1465 -2.3209 -2.3209 -2.2010 -2.2010 0.9088 0.9088 1.3877 1.3877 7.7653 7.7653 7.9624 7.9624 8.6316 8.6316 9.5412 9.5412 k = 0.1329 0.5998 0.4455 ( 7015 PWs) bands (ev): -41.7793 -41.7793 -41.7699 -41.7699 -15.6356 -15.6356 -13.6916 -13.6916 -3.7393 -3.7393 -3.1830 -3.1830 -2.2895 -2.2895 -2.1965 -2.1965 0.8919 0.8919 1.3767 1.3767 7.7966 7.7966 7.9817 7.9817 8.6666 8.6666 9.5010 9.5010 k = 0.1181 0.5961 0.4499 ( 7017 PWs) bands (ev): -41.7787 -41.7787 -41.7704 -41.7704 -15.6360 -15.6360 -13.6903 -13.6903 -3.7294 -3.7294 -3.2179 -3.2179 -2.2606 -2.2606 -2.1923 -2.1923 0.8758 0.8758 1.3663 1.3663 7.8271 7.8271 7.9998 7.9998 8.6988 8.6988 9.4636 9.4636 k = 0.1033 0.5923 0.4543 ( 7020 PWs) bands (ev): -41.7782 -41.7782 -41.7709 -41.7709 -15.6363 -15.6363 -13.6892 -13.6892 -3.7186 -3.7186 -3.2510 -3.2510 -2.2345 -2.2345 -2.1885 -2.1885 0.8608 0.8608 1.3569 1.3569 7.8565 7.8565 8.0166 8.0166 8.7278 8.7278 9.4293 9.4293 k = 0.0886 0.5885 0.4587 ( 7018 PWs) bands (ev): -41.7777 -41.7777 -41.7714 -41.7714 -15.6366 -15.6366 -13.6882 -13.6882 -3.7070 -3.7070 -3.2820 -3.2820 -2.2115 -2.2115 -2.1850 -2.1850 0.8473 0.8473 1.3484 1.3484 7.8840 7.8840 8.0317 8.0317 8.7532 8.7532 9.3989 9.3989 k = 0.0738 0.5848 0.4631 ( 7020 PWs) bands (ev): -41.7772 -41.7772 -41.7719 -41.7719 -15.6369 -15.6369 -13.6873 -13.6873 -3.6952 -3.6952 -3.3104 -3.3104 -2.1920 -2.1920 -2.1815 -2.1815 0.8354 0.8354 1.3410 1.3410 7.9090 7.9090 8.0449 8.0449 8.7745 8.7745 9.3727 9.3727 k = 0.0590 0.5810 0.4674 ( 7017 PWs) bands (ev): -41.7767 -41.7767 -41.7725 -41.7725 -15.6371 -15.6371 -13.6865 -13.6865 -3.6835 -3.6835 -3.3356 -3.3356 -2.1811 -2.1811 -2.1733 -2.1733 0.8253 0.8253 1.3349 1.3349 7.9308 7.9308 8.0560 8.0560 8.7915 8.7915 9.3512 9.3512 k = 0.0443 0.5773 0.4718 ( 7024 PWs) bands (ev): -41.7761 -41.7761 -41.7730 -41.7730 -15.6373 -15.6373 -13.6860 -13.6860 -3.6729 -3.6729 -3.3568 -3.3568 -2.1784 -2.1784 -2.1610 -2.1610 0.8172 0.8172 1.3300 1.3300 7.9486 7.9486 8.0649 8.0649 8.8044 8.8044 9.3346 9.3346 k = 0.0295 0.5735 0.4762 ( 7023 PWs) bands (ev): -41.7756 -41.7756 -41.7735 -41.7735 -15.6375 -15.6375 -13.6855 -13.6855 -3.6641 -3.6641 -3.3732 -3.3732 -2.1769 -2.1769 -2.1517 -2.1517 0.8114 0.8114 1.3264 1.3264 7.9619 7.9619 8.0713 8.0713 8.8132 8.8132 9.3229 9.3229 k = 0.0148 0.5697 0.4806 ( 7013 PWs) bands (ev): -41.7751 -41.7751 -41.7740 -41.7740 -15.6375 -15.6375 -13.6853 -13.6853 -3.6583 -3.6583 -3.3836 -3.3836 -2.1759 -2.1759 -2.1461 -2.1461 0.8078 0.8078 1.3243 1.3243 7.9701 7.9701 8.0752 8.0752 8.8184 8.8184 9.3159 9.3159 k = 0.0000 0.5660 0.4850 ( 7006 PWs) bands (ev): -41.7746 -41.7746 -41.7745 -41.7745 -15.6376 -15.6376 -13.6852 -13.6852 -3.6562 -3.6562 -3.3872 -3.3872 -2.1756 -2.1756 -2.1442 -2.1442 0.8066 0.8066 1.3236 1.3236 7.9729 7.9729 8.0765 8.0765 8.8200 8.8200 9.3136 9.3136 k = 0.0000 0.5660 0.4850 ( 7006 PWs) bands (ev): -41.7746 -41.7746 -41.7745 -41.7745 -15.6376 -15.6376 -13.6852 -13.6852 -3.6562 -3.6562 -3.3872 -3.3872 -2.1756 -2.1756 -2.1442 -2.1442 0.8066 0.8066 1.3236 1.3236 7.9729 7.9729 8.0765 8.0765 8.8200 8.8200 9.3136 9.3136 k = 0.0058 0.5563 0.4963 ( 7016 PWs) bands (ev): -41.7746 -41.7746 -41.7746 -41.7746 -15.6375 -15.6375 -13.6852 -13.6852 -3.6562 -3.6562 -3.3868 -3.3868 -2.1768 -2.1768 -2.1445 -2.1445 0.8067 0.8067 1.3229 1.3229 7.9731 7.9731 8.0760 8.0760 8.8239 8.8239 9.3120 9.3120 k = 0.0116 0.5467 0.5076 ( 7018 PWs) bands (ev): -41.7746 -41.7746 -41.7745 -41.7745 -15.6372 -15.6372 -13.6851 -13.6851 -3.6564 -3.6564 -3.3856 -3.3856 -2.1802 -2.1802 -2.1456 -2.1456 0.8070 0.8070 1.3209 1.3209 7.9739 7.9739 8.0745 8.0745 8.8354 8.8354 9.3074 9.3074 k = 0.0174 0.5370 0.5188 ( 7012 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6368 -15.6368 -13.6849 -13.6849 -3.6566 -3.6566 -3.3835 -3.3835 -2.1858 -2.1858 -2.1474 -2.1474 0.8074 0.8074 1.3175 1.3175 7.9751 7.9751 8.0721 8.0721 8.8545 8.8545 9.2997 9.2997 k = 0.0233 0.5273 0.5301 ( 7016 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6362 -15.6362 -13.6847 -13.6847 -3.6569 -3.6569 -3.3807 -3.3807 -2.1936 -2.1936 -2.1500 -2.1500 0.8080 0.8080 1.3128 1.3128 7.9769 7.9769 8.0690 8.0690 8.8809 8.8809 9.2889 9.2889 k = 0.0291 0.5177 0.5414 ( 7016 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6354 -15.6354 -13.6844 -13.6844 -3.6573 -3.6573 -3.3771 -3.3771 -2.2036 -2.2036 -2.1532 -2.1532 0.8088 0.8088 1.3069 1.3069 7.9791 7.9791 8.0653 8.0653 8.9144 8.9144 9.2750 9.2750 k = 0.0349 0.5080 0.5527 ( 7014 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6344 -15.6344 -13.6840 -13.6840 -3.6578 -3.6578 -3.3727 -3.3727 -2.2157 -2.2157 -2.1572 -2.1572 0.8098 0.8098 1.2997 1.2997 7.9817 7.9817 8.0613 8.0613 8.9546 8.9546 9.2582 9.2582 k = 0.0407 0.4983 0.5639 ( 7014 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6333 -15.6333 -13.6836 -13.6836 -3.6584 -3.6584 -3.3675 -3.3675 -2.2297 -2.2297 -2.1618 -2.1618 0.8109 0.8109 1.2913 1.2913 7.9849 7.9849 8.0570 8.0570 9.0014 9.0014 9.2383 9.2383 k = 0.0465 0.4887 0.5752 ( 7016 PWs) bands (ev): -41.7745 -41.7745 -41.7745 -41.7745 -15.6320 -15.6320 -13.6832 -13.6832 -3.6591 -3.6591 -3.3615 -3.3615 -2.2456 -2.2456 -2.1672 -2.1672 0.8122 0.8122 1.2818 1.2818 7.9884 7.9884 8.0527 8.0527 9.0543 9.0543 9.2155 9.2155 k = 0.0523 0.4790 0.5865 ( 7022 PWs) bands (ev): -41.7744 -41.7744 -41.7744 -41.7744 -15.6306 -15.6306 -13.6826 -13.6826 -3.6599 -3.6599 -3.3548 -3.3548 -2.2633 -2.2633 -2.1732 -2.1732 0.8136 0.8136 1.2713 1.2713 7.9924 7.9924 8.0486 8.0486 9.1131 9.1131 9.1899 9.1899 k = 0.0581 0.4693 0.5978 ( 7022 PWs) bands (ev): -41.7744 -41.7744 -41.7744 -41.7744 -15.6290 -15.6290 -13.6821 -13.6821 -3.6607 -3.6607 -3.3473 -3.3473 -2.2827 -2.2827 -2.1799 -2.1799 0.8151 0.8151 1.2598 1.2598 7.9967 7.9967 8.0447 8.0447 9.1615 9.1615 9.1774 9.1774 k = 0.0640 0.4597 0.6091 ( 7018 PWs) bands (ev): -41.7744 -41.7744 -41.7744 -41.7744 -15.6273 -15.6273 -13.6814 -13.6814 -3.6616 -3.6616 -3.3392 -3.3392 -2.3035 -2.3035 -2.1872 -2.1872 0.8168 0.8168 1.2473 1.2473 8.0014 8.0014 8.0411 8.0411 9.1305 9.1305 9.2468 9.2468 k = 0.0698 0.4500 0.6203 ( 7016 PWs) bands (ev): -41.7743 -41.7743 -41.7743 -41.7743 -15.6255 -15.6255 -13.6808 -13.6808 -3.6625 -3.6625 -3.3303 -3.3303 -2.3258 -2.3258 -2.1952 -2.1952 0.8186 0.8186 1.2341 1.2341 8.0063 8.0063 8.0380 8.0380 9.0970 9.0970 9.3209 9.3209 k = 0.0756 0.4403 0.6316 ( 7014 PWs) bands (ev): -41.7743 -41.7743 -41.7743 -41.7743 -15.6236 -15.6236 -13.6800 -13.6800 -3.6636 -3.6636 -3.3207 -3.3207 -2.3492 -2.3492 -2.2038 -2.2038 0.8205 0.8205 1.2200 1.2200 8.0116 8.0116 8.0355 8.0355 9.0613 9.0613 9.3992 9.3992 k = 0.0814 0.4307 0.6429 ( 7020 PWs) bands (ev): -41.7743 -41.7743 -41.7743 -41.7743 -15.6215 -15.6215 -13.6793 -13.6793 -3.6646 -3.6646 -3.3104 -3.3104 -2.3738 -2.3738 -2.2130 -2.2130 0.8225 0.8225 1.2054 1.2054 8.0169 8.0169 8.0338 8.0338 9.0235 9.0235 9.4813 9.4813 k = 0.0872 0.4210 0.6542 ( 7014 PWs) bands (ev): -41.7742 -41.7742 -41.7742 -41.7742 -15.6194 -15.6194 -13.6785 -13.6785 -3.6658 -3.6658 -3.2995 -3.2995 -2.3993 -2.3993 -2.2228 -2.2228 0.8245 0.8245 1.1902 1.1902 8.0220 8.0220 8.0331 8.0331 8.9838 8.9838 9.5664 9.5664 k = 0.0930 0.4113 0.6655 ( 7018 PWs) bands (ev): -41.7742 -41.7742 -41.7742 -41.7742 -15.6172 -15.6172 -13.6777 -13.6777 -3.6669 -3.6669 -3.2880 -3.2880 -2.4255 -2.4255 -2.2332 -2.2332 0.8266 0.8266 1.1745 1.1745 8.0258 8.0258 8.0345 8.0345 8.9425 8.9425 9.6537 9.6537 k = 0.0988 0.4017 0.6767 ( 7022 PWs) bands (ev): -41.7742 -41.7742 -41.7742 -41.7742 -15.6149 -15.6149 -13.6768 -13.6768 -3.6681 -3.6681 -3.2758 -3.2758 -2.4524 -2.4524 -2.2442 -2.2442 0.8288 0.8288 1.1585 1.1585 8.0278 8.0278 8.0387 8.0387 8.8999 8.8999 9.7422 9.7422 k = 0.1047 0.3920 0.6880 ( 7018 PWs) bands (ev): -41.7741 -41.7741 -41.7741 -41.7741 -15.6125 -15.6125 -13.6760 -13.6760 -3.6694 -3.6694 -3.2631 -3.2631 -2.4797 -2.4797 -2.2556 -2.2556 0.8311 0.8311 1.1421 1.1421 8.0291 8.0291 8.0445 8.0445 8.8562 8.8562 9.8304 9.8304 k = 0.1105 0.3823 0.6993 ( 7018 PWs) bands (ev): -41.7741 -41.7741 -41.7741 -41.7741 -15.6101 -15.6101 -13.6751 -13.6751 -3.6706 -3.6706 -3.2499 -3.2499 -2.5073 -2.5073 -2.2676 -2.2676 0.8333 0.8333 1.1257 1.1257 8.0307 8.0307 8.0508 8.0508 8.8117 8.8117 9.9166 9.9166 k = 0.1163 0.3727 0.7106 ( 7022 PWs) bands (ev): -41.7740 -41.7740 -41.7740 -41.7740 -15.6077 -15.6077 -13.6742 -13.6742 -3.6719 -3.6719 -3.2361 -3.2361 -2.5351 -2.5351 -2.2801 -2.2801 0.8356 0.8356 1.1091 1.1091 8.0328 8.0328 8.0573 8.0573 8.7667 8.7667 9.9981 9.9981 k = 0.1221 0.3630 0.7219 ( 7028 PWs) bands (ev): -41.7740 -41.7740 -41.7740 -41.7740 -15.6052 -15.6052 -13.6733 -13.6733 -3.6732 -3.6732 -3.2219 -3.2219 -2.5628 -2.5628 -2.2931 -2.2931 0.8379 0.8379 1.0925 1.0925 8.0356 8.0356 8.0640 8.0640 8.7214 8.7214 10.0717 10.0717 k = 0.1279 0.3534 0.7331 ( 7022 PWs) bands (ev): -41.7739 -41.7739 -41.7739 -41.7739 -15.6027 -15.6027 -13.6724 -13.6724 -3.6745 -3.6745 -3.2073 -3.2073 -2.5905 -2.5905 -2.3064 -2.3064 0.8402 0.8402 1.0760 1.0760 8.0391 8.0391 8.0708 8.0708 8.6762 8.6762 10.1339 10.1339 k = 0.1337 0.3437 0.7444 ( 7024 PWs) bands (ev): -41.7739 -41.7739 -41.7739 -41.7739 -15.6003 -15.6003 -13.6715 -13.6715 -3.6758 -3.6758 -3.1922 -3.1922 -2.6178 -2.6178 -2.3202 -2.3202 0.8425 0.8425 1.0597 1.0597 8.0433 8.0433 8.0775 8.0775 8.6312 8.6312 10.1812 10.1812 k = 0.1395 0.3340 0.7557 ( 7018 PWs) bands (ev): -41.7739 -41.7739 -41.7739 -41.7739 -15.5978 -15.5978 -13.6706 -13.6706 -3.6771 -3.6771 -3.1769 -3.1769 -2.6447 -2.6447 -2.3343 -2.3343 0.8447 0.8447 1.0436 1.0436 8.0482 8.0482 8.0843 8.0843 8.5868 8.5868 10.2116 10.2116 k = 0.1453 0.3244 0.7670 ( 7018 PWs) bands (ev): -41.7738 -41.7738 -41.7738 -41.7738 -15.5954 -15.5954 -13.6697 -13.6697 -3.6784 -3.6784 -3.1612 -3.1612 -2.6710 -2.6710 -2.3487 -2.3487 0.8469 0.8469 1.0279 1.0279 8.0538 8.0538 8.0909 8.0909 8.5431 8.5431 10.2254 10.2254 k = 0.1512 0.3147 0.7782 ( 7012 PWs) bands (ev): -41.7738 -41.7738 -41.7738 -41.7738 -15.5930 -15.5930 -13.6688 -13.6688 -3.6796 -3.6796 -3.1452 -3.1452 -2.6967 -2.6967 -2.3634 -2.3634 0.8491 0.8491 1.0126 1.0126 8.0599 8.0599 8.0974 8.0974 8.5005 8.5005 10.2250 10.2250 k = 0.1570 0.3050 0.7895 ( 7010 PWs) bands (ev): -41.7737 -41.7737 -41.7737 -41.7737 -15.5907 -15.5907 -13.6680 -13.6680 -3.6808 -3.6808 -3.1291 -3.1291 -2.7215 -2.7215 -2.3783 -2.3783 0.8512 0.8512 0.9978 0.9978 8.0666 8.0666 8.1038 8.1038 8.4592 8.4592 10.2137 10.2137 k = 0.1628 0.2954 0.8008 ( 7010 PWs) bands (ev): -41.7737 -41.7737 -41.7737 -41.7737 -15.5884 -15.5884 -13.6671 -13.6671 -3.6820 -3.6820 -3.1128 -3.1128 -2.7455 -2.7455 -2.3934 -2.3934 0.8532 0.8532 0.9836 0.9836 8.0738 8.0738 8.1099 8.1099 8.4194 8.4194 10.1944 10.1944 k = 0.1686 0.2857 0.8121 ( 7014 PWs) bands (ev): -41.7737 -41.7737 -41.7737 -41.7737 -15.5862 -15.5862 -13.6663 -13.6663 -3.6831 -3.6831 -3.0965 -3.0965 -2.7684 -2.7684 -2.4086 -2.4086 0.8552 0.8552 0.9700 0.9700 8.0814 8.0814 8.1158 8.1158 8.3812 8.3812 10.1698 10.1698 k = 0.1744 0.2760 0.8234 ( 7018 PWs) bands (ev): -41.7736 -41.7736 -41.7736 -41.7736 -15.5842 -15.5842 -13.6656 -13.6656 -3.6842 -3.6842 -3.0802 -3.0802 -2.7901 -2.7901 -2.4238 -2.4238 0.8570 0.8570 0.9571 0.9571 8.0893 8.0893 8.1215 8.1215 8.3450 8.3450 10.1418 10.1418 k = 0.1802 0.2664 0.8346 ( 7022 PWs) bands (ev): -41.7736 -41.7736 -41.7736 -41.7736 -15.5822 -15.5822 -13.6649 -13.6649 -3.6852 -3.6852 -3.0640 -3.0640 -2.8107 -2.8107 -2.4389 -2.4389 0.8587 0.8587 0.9449 0.9449 8.0975 8.0975 8.1268 8.1268 8.3108 8.3108 10.1121 10.1121 k = 0.1860 0.2567 0.8459 ( 7020 PWs) bands (ev): -41.7736 -41.7736 -41.7736 -41.7736 -15.5803 -15.5803 -13.6642 -13.6642 -3.6862 -3.6862 -3.0481 -3.0481 -2.8299 -2.8299 -2.4539 -2.4539 0.8604 0.8604 0.9335 0.9335 8.1057 8.1057 8.1316 8.1316 8.2789 8.2789 10.0817 10.0817 k = 0.1919 0.2470 0.8572 ( 7020 PWs) bands (ev): -41.7735 -41.7735 -41.7735 -41.7735 -15.5786 -15.5786 -13.6635 -13.6635 -3.6871 -3.6871 -3.0325 -3.0325 -2.8477 -2.8477 -2.4686 -2.4686 0.8619 0.8619 0.9230 0.9230 8.1138 8.1138 8.1361 8.1361 8.2496 8.2496 10.0516 10.0516 k = 0.1977 0.2374 0.8685 ( 7016 PWs) bands (ev): -41.7735 -41.7735 -41.7735 -41.7735 -15.5770 -15.5770 -13.6630 -13.6630 -3.6879 -3.6879 -3.0173 -3.0173 -2.8640 -2.8640 -2.4829 -2.4829 0.8632 0.8632 0.9134 0.9134 8.1218 8.1218 8.1398 8.1398 8.2230 8.2230 10.0225 10.0225 k = 0.2035 0.2277 0.8798 ( 7014 PWs) bands (ev): -41.7735 -41.7735 -41.7735 -41.7735 -15.5755 -15.5755 -13.6624 -13.6624 -3.6886 -3.6886 -3.0028 -3.0028 -2.8788 -2.8788 -2.4967 -2.4967 0.8644 0.8644 0.9047 0.9047 8.1292 8.1292 8.1426 8.1426 8.1999 8.1999 9.9950 9.9950 k = 0.2093 0.2180 0.8910 ( 7016 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5742 -15.5742 -13.6620 -13.6620 -3.6893 -3.6893 -2.9892 -2.9892 -2.8920 -2.8920 -2.5097 -2.5097 0.8654 0.8654 0.8970 0.8970 8.1354 8.1354 8.1438 8.1438 8.1813 8.1813 9.9696 9.9696 k = 0.2151 0.2084 0.9023 ( 7012 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5731 -15.5731 -13.6615 -13.6615 -3.6899 -3.6899 -2.9766 -2.9766 -2.9035 -2.9035 -2.5217 -2.5217 0.8662 0.8662 0.8904 0.8904 8.1357 8.1357 8.1455 8.1455 8.1699 8.1699 9.9467 9.9467 k = 0.2209 0.1987 0.9136 ( 7016 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5721 -15.5721 -13.6612 -13.6612 -3.6904 -3.6904 -2.9653 -2.9653 -2.9133 -2.9133 -2.5325 -2.5325 0.8667 0.8667 0.8850 0.8850 8.1271 8.1271 8.1500 8.1500 8.1662 8.1662 9.9267 9.9267 k = 0.2267 0.1890 0.9249 ( 7020 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5713 -15.5713 -13.6609 -13.6609 -3.6908 -3.6908 -2.9556 -2.9556 -2.9213 -2.9213 -2.5420 -2.5420 0.8668 0.8668 0.8808 0.8808 8.1165 8.1165 8.1543 8.1543 8.1662 8.1662 9.9099 9.9099 k = 0.2326 0.1794 0.9362 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5706 -15.5706 -13.6607 -13.6607 -3.6911 -3.6911 -2.9478 -2.9478 -2.9274 -2.9274 -2.5496 -2.5496 0.8665 0.8665 0.8778 0.8778 8.1072 8.1072 8.1575 8.1575 8.1675 8.1675 9.8966 9.8966 k = 0.2384 0.1697 0.9474 ( 7028 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5702 -15.5702 -13.6605 -13.6605 -3.6914 -3.6914 -2.9425 -2.9425 -2.9313 -2.9313 -2.5554 -2.5554 0.8660 0.8660 0.8761 0.8761 8.1002 8.1002 8.1597 8.1597 8.1690 8.1690 9.8869 9.8869 k = 0.2442 0.1601 0.9587 ( 7034 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5699 -15.5699 -13.6604 -13.6604 -3.6915 -3.6915 -2.9402 -2.9402 -2.9326 -2.9326 -2.5589 -2.5589 0.8654 0.8654 0.8753 0.8753 8.0960 8.0960 8.1609 8.1609 8.1700 8.1700 9.8811 9.8811 k = 0.2500 0.1504 0.9700 ( 7024 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6915 -3.6915 -2.9399 -2.9399 -2.9326 -2.9326 -2.5601 -2.5601 0.8652 0.8652 0.8750 0.8750 8.0945 8.0945 8.1613 8.1613 8.1704 8.1704 9.8791 9.8791 k = 0.2500 0.1504 0.9700 ( 7024 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6915 -3.6915 -2.9399 -2.9399 -2.9326 -2.9326 -2.5601 -2.5601 0.8652 0.8652 0.8750 0.8750 8.0945 8.0945 8.1613 8.1613 8.1704 8.1704 9.8791 9.8791 k = 0.2614 0.1572 0.9620 ( 7024 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6916 -3.6916 -2.9451 -2.9451 -2.9274 -2.9274 -2.5597 -2.5597 0.8419 0.8419 0.8986 0.8986 8.0933 8.0933 8.1171 8.1171 8.2145 8.2145 9.8829 9.8829 k = 0.2727 0.1641 0.9540 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5699 -15.5699 -13.6604 -13.6604 -3.6916 -3.6916 -2.9525 -2.9525 -2.9201 -2.9201 -2.5587 -2.5587 0.8147 0.8147 0.9267 0.9267 8.0686 8.0686 8.0900 8.0900 8.2622 8.2622 9.8941 9.8941 k = 0.2841 0.1709 0.9461 ( 7018 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5700 -15.5700 -13.6605 -13.6605 -3.6916 -3.6916 -2.9598 -2.9598 -2.9129 -2.9129 -2.5571 -2.5571 0.7881 0.7881 0.9548 0.9548 8.0207 8.0207 8.0841 8.0841 8.3091 8.3091 9.9126 9.9126 k = 0.2955 0.1777 0.9381 ( 7016 PWs) bands (ev): -41.7735 -41.7735 -41.7733 -41.7733 -15.5701 -15.5701 -13.6605 -13.6605 -3.6916 -3.6916 -2.9669 -2.9669 -2.9061 -2.9061 -2.5549 -2.5549 0.7623 0.7623 0.9829 0.9829 7.9734 7.9734 8.0761 8.0761 8.3550 8.3550 9.9379 9.9379 k = 0.3068 0.1846 0.9301 ( 7018 PWs) bands (ev): -41.7735 -41.7735 -41.7732 -41.7732 -15.5703 -15.5703 -13.6607 -13.6607 -3.6915 -3.6915 -2.9735 -2.9735 -2.8995 -2.8995 -2.5524 -2.5524 0.7375 0.7375 1.0107 1.0107 7.9270 7.9270 8.0663 8.0663 8.3996 8.3996 9.9696 9.9696 k = 0.3182 0.1914 0.9221 ( 7018 PWs) bands (ev): -41.7736 -41.7736 -41.7732 -41.7732 -15.5705 -15.5705 -13.6608 -13.6608 -3.6914 -3.6914 -2.9797 -2.9797 -2.8932 -2.8932 -2.5497 -2.5497 0.7141 0.7141 1.0381 1.0381 7.8817 7.8817 8.0549 8.0549 8.4427 8.4427 10.0069 10.0069 k = 0.3295 0.1982 0.9141 ( 7018 PWs) bands (ev): -41.7737 -41.7737 -41.7731 -41.7731 -15.5708 -15.5708 -13.6610 -13.6610 -3.6912 -3.6912 -2.9855 -2.9855 -2.8870 -2.8870 -2.5471 -2.5471 0.6920 0.6920 1.0651 1.0651 7.8376 7.8376 8.0423 8.0423 8.4841 8.4841 10.0493 10.0493 k = 0.3409 0.2051 0.9062 ( 7020 PWs) bands (ev): -41.7738 -41.7738 -41.7730 -41.7730 -15.5710 -15.5710 -13.6613 -13.6613 -3.6910 -3.6910 -2.9908 -2.9908 -2.8808 -2.8808 -2.5447 -2.5447 0.6716 0.6716 1.0914 1.0914 7.7951 7.7951 8.0290 8.0290 8.5238 8.5238 10.0958 10.0958 k = 0.3523 0.2119 0.8982 ( 7012 PWs) bands (ev): -41.7739 -41.7739 -41.7729 -41.7729 -15.5713 -15.5713 -13.6616 -13.6616 -3.6907 -3.6907 -2.9957 -2.9957 -2.8744 -2.8744 -2.5427 -2.5427 0.6529 0.6529 1.1169 1.1169 7.7542 7.7542 8.0152 8.0152 8.5614 8.5614 10.1457 10.1457 k = 0.3636 0.2187 0.8902 ( 7012 PWs) bands (ev): -41.7740 -41.7740 -41.7728 -41.7728 -15.5717 -15.5717 -13.6620 -13.6620 -3.6904 -3.6904 -3.0000 -3.0000 -2.8677 -2.8677 -2.5414 -2.5414 0.6361 0.6361 1.1415 1.1415 7.7152 7.7152 8.0014 8.0014 8.5968 8.5968 10.1980 10.1980 k = 0.3750 0.2256 0.8822 ( 7016 PWs) bands (ev): -41.7741 -41.7741 -41.7727 -41.7727 -15.5720 -15.5720 -13.6624 -13.6624 -3.6900 -3.6900 -3.0037 -3.0037 -2.8607 -2.8607 -2.5410 -2.5410 0.6214 0.6214 1.1651 1.1651 7.6784 7.6784 7.9878 7.9878 8.6299 8.6299 10.2520 10.2520 k = 0.3864 0.2324 0.8743 ( 7010 PWs) bands (ev): -41.7743 -41.7743 -41.7726 -41.7726 -15.5724 -15.5724 -13.6628 -13.6628 -3.6896 -3.6896 -3.0069 -3.0069 -2.8530 -2.8530 -2.5416 -2.5416 0.6087 0.6087 1.1876 1.1876 7.6437 7.6437 7.9749 7.9749 8.6604 8.6604 10.3068 10.3068 k = 0.3977 0.2393 0.8663 ( 7012 PWs) bands (ev): -41.7744 -41.7744 -41.7724 -41.7724 -15.5728 -15.5728 -13.6634 -13.6634 -3.6892 -3.6892 -3.0096 -3.0096 -2.8448 -2.8448 -2.5433 -2.5433 0.5983 0.5983 1.2087 1.2087 7.6116 7.6116 7.9628 7.9628 8.6882 8.6882 10.3616 10.3616 k = 0.4091 0.2461 0.8583 ( 7010 PWs) bands (ev): -41.7746 -41.7746 -41.7723 -41.7723 -15.5732 -15.5732 -13.6639 -13.6639 -3.6887 -3.6887 -3.0116 -3.0116 -2.8359 -2.8359 -2.5463 -2.5463 0.5902 0.5902 1.2284 1.2284 7.5820 7.5820 7.9519 7.9519 8.7131 8.7131 10.4154 10.4154 k = 0.4205 0.2529 0.8503 ( 7009 PWs) bands (ev): -41.7748 -41.7748 -41.7721 -41.7721 -15.5736 -15.5736 -13.6646 -13.6646 -3.6881 -3.6881 -3.0130 -3.0130 -2.8264 -2.8264 -2.5506 -2.5506 0.5844 0.5844 1.2466 1.2466 7.5552 7.5552 7.9423 7.9423 8.7350 8.7350 10.4674 10.4674 k = 0.4318 0.2598 0.8424 ( 7007 PWs) bands (ev): -41.7750 -41.7750 -41.7719 -41.7719 -15.5741 -15.5741 -13.6652 -13.6652 -3.6875 -3.6875 -3.0138 -3.0138 -2.8162 -2.8162 -2.5562 -2.5562 0.5809 0.5809 1.2632 1.2632 7.5313 7.5313 7.9342 7.9342 8.7535 8.7535 10.5169 10.5169 k = 0.4432 0.2666 0.8344 ( 7011 PWs) bands (ev): -41.7752 -41.7752 -41.7717 -41.7717 -15.5746 -15.5746 -13.6659 -13.6659 -3.6867 -3.6867 -3.0140 -3.0140 -2.8055 -2.8055 -2.5629 -2.5629 0.5797 0.5797 1.2781 1.2781 7.5105 7.5105 7.9277 7.9277 8.7687 8.7687 10.5629 10.5629 k = 0.4545 0.2734 0.8264 ( 7016 PWs) bands (ev): -41.7754 -41.7754 -41.7716 -41.7716 -15.5751 -15.5751 -13.6667 -13.6667 -3.6858 -3.6858 -3.0135 -3.0135 -2.7945 -2.7945 -2.5707 -2.5707 0.5807 0.5807 1.2911 1.2911 7.4928 7.4928 7.9229 7.9229 8.7803 8.7803 10.6048 10.6048 k = 0.4659 0.2803 0.8184 ( 7017 PWs) bands (ev): -41.7757 -41.7757 -41.7714 -41.7714 -15.5756 -15.5756 -13.6675 -13.6675 -3.6847 -3.6847 -3.0124 -3.0124 -2.7835 -2.7835 -2.5791 -2.5791 0.5840 0.5840 1.3022 1.3022 7.4784 7.4784 7.9200 7.9200 8.7883 8.7883 10.6417 10.6417 k = 0.4773 0.2871 0.8104 ( 7021 PWs) bands (ev): -41.7759 -41.7759 -41.7711 -41.7711 -15.5762 -15.5762 -13.6683 -13.6683 -3.6835 -3.6835 -3.0105 -3.0105 -2.7731 -2.7731 -2.5876 -2.5876 0.5895 0.5895 1.3113 1.3113 7.4673 7.4673 7.9188 7.9188 8.7925 8.7925 10.6730 10.6730 k = 0.4886 0.2939 0.8025 ( 7025 PWs) bands (ev): -41.7762 -41.7762 -41.7709 -41.7709 -15.5769 -15.5769 -13.6691 -13.6691 -3.6820 -3.6820 -3.0080 -3.0080 -2.7641 -2.7641 -2.5954 -2.5954 0.5969 0.5969 1.3184 1.3184 7.4597 7.4597 7.9194 7.9194 8.7929 8.7929 10.6980 10.6980 k = 0.5000 0.3008 0.7945 ( 7024 PWs) bands (ev): -41.7764 -41.7764 -41.7707 -41.7707 -15.5775 -15.5775 -13.6700 -13.6700 -3.6802 -3.6802 -3.0049 -3.0049 -2.7576 -2.7576 -2.6012 -2.6012 0.6063 0.6063 1.3233 1.3233 7.4556 7.4556 7.9218 7.9218 8.7896 8.7896 10.7161 10.7161 k = 0.5000 0.3008 0.7945 ( 7024 PWs) bands (ev): -41.7764 -41.7764 -41.7707 -41.7707 -15.5775 -15.5775 -13.6700 -13.6700 -3.6802 -3.6802 -3.0049 -3.0049 -2.7576 -2.7576 -2.6012 -2.6012 0.6063 0.6063 1.3233 1.3233 7.4556 7.4556 7.9218 7.9218 8.7896 8.7896 10.7161 10.7161 k = 0.5000 0.3008 0.7786 ( 7040 PWs) bands (ev): -41.7770 -41.7770 -41.7702 -41.7702 -15.5789 -15.5789 -13.6718 -13.6718 -3.6763 -3.6763 -2.9975 -2.9975 -2.7478 -2.7478 -2.6100 -2.6100 0.6275 0.6275 1.3314 1.3314 7.4507 7.4507 7.9276 7.9276 8.7786 8.7786 10.7462 10.7462 k = 0.5000 0.3008 0.7627 ( 7030 PWs) bands (ev): -41.7776 -41.7776 -41.7697 -41.7697 -15.5805 -15.5805 -13.6737 -13.6737 -3.6717 -3.6717 -2.9896 -2.9896 -2.7375 -2.7375 -2.6194 -2.6194 0.6502 0.6502 1.3402 1.3402 7.4455 7.4455 7.9314 7.9314 8.7661 8.7661 10.7784 10.7784 k = 0.5000 0.3008 0.7468 ( 7030 PWs) bands (ev): -41.7783 -41.7783 -41.7691 -41.7691 -15.5821 -15.5821 -13.6757 -13.6757 -3.6667 -3.6667 -2.9812 -2.9812 -2.7265 -2.7265 -2.6292 -2.6292 0.6743 0.6743 1.3495 1.3495 7.4398 7.4398 7.9331 7.9331 8.7516 8.7516 10.8123 10.8123 k = 0.5000 0.3008 0.7309 ( 7030 PWs) bands (ev): -41.7790 -41.7790 -41.7685 -41.7685 -15.5839 -15.5839 -13.6778 -13.6778 -3.6609 -3.6609 -2.9722 -2.9722 -2.7151 -2.7151 -2.6394 -2.6394 0.6996 0.6996 1.3593 1.3593 7.4339 7.4339 7.9322 7.9322 8.7344 8.7344 10.8479 10.8479 k = 0.5000 0.3008 0.7150 ( 7030 PWs) bands (ev): -41.7797 -41.7797 -41.7678 -41.7678 -15.5857 -15.5857 -13.6801 -13.6801 -3.6546 -3.6546 -2.9627 -2.9627 -2.7032 -2.7032 -2.6500 -2.6500 0.7262 0.7262 1.3698 1.3698 7.4276 7.4276 7.9287 7.9287 8.7134 8.7134 10.8848 10.8848 k = 0.5000 0.3008 0.6992 ( 7026 PWs) bands (ev): -41.7804 -41.7804 -41.7672 -41.7672 -15.5877 -15.5877 -13.6825 -13.6825 -3.6475 -3.6475 -2.9528 -2.9528 -2.6910 -2.6910 -2.6608 -2.6608 0.7539 0.7539 1.3807 1.3807 7.4210 7.4210 7.9223 7.9223 8.6877 8.6877 10.9229 10.9229 k = 0.5000 0.3008 0.6833 ( 7020 PWs) bands (ev): -41.7812 -41.7812 -41.7665 -41.7665 -15.5897 -15.5897 -13.6850 -13.6850 -3.6398 -3.6398 -2.9424 -2.9424 -2.6788 -2.6788 -2.6714 -2.6714 0.7826 0.7826 1.3922 1.3922 7.4141 7.4141 7.9130 7.9130 8.6561 8.6561 10.9618 10.9618 k = 0.5000 0.3008 0.6674 ( 7012 PWs) bands (ev): -41.7820 -41.7820 -41.7657 -41.7657 -15.5918 -15.5918 -13.6876 -13.6876 -3.6312 -3.6312 -2.9315 -2.9315 -2.6836 -2.6836 -2.6649 -2.6649 0.8123 0.8123 1.4041 1.4041 7.4069 7.4069 7.9010 7.9010 8.6178 8.6178 10.9430 10.9430 k = 0.5000 0.3008 0.6515 ( 7000 PWs) bands (ev): -41.7829 -41.7829 -41.7650 -41.7650 -15.5940 -15.5940 -13.6903 -13.6903 -3.6219 -3.6219 -2.9203 -2.9203 -2.6949 -2.6949 -2.6519 -2.6519 0.8428 0.8428 1.4165 1.4165 7.3995 7.3995 7.8864 7.8864 8.5718 8.5718 10.9112 10.9112 k = 0.5000 0.3008 0.6356 ( 7000 PWs) bands (ev): -41.7838 -41.7838 -41.7642 -41.7642 -15.5963 -15.5963 -13.6930 -13.6930 -3.6118 -3.6118 -2.9086 -2.9086 -2.7064 -2.7064 -2.6385 -2.6385 0.8742 0.8742 1.4293 1.4293 7.3918 7.3918 7.8693 7.8693 8.5177 8.5177 10.8936 10.8936 k = 0.5000 0.3008 0.6197 ( 7002 PWs) bands (ev): -41.7847 -41.7847 -41.7634 -41.7634 -15.5987 -15.5987 -13.6959 -13.6959 -3.6008 -3.6008 -2.8967 -2.8967 -2.7180 -2.7180 -2.6250 -2.6250 0.9062 0.9062 1.4425 1.4425 7.3839 7.3839 7.8500 7.8500 8.4554 8.4554 10.8904 10.8904 k = 0.5000 0.3008 0.6038 ( 7004 PWs) bands (ev): -41.7856 -41.7856 -41.7626 -41.7626 -15.6011 -15.6011 -13.6988 -13.6988 -3.5890 -3.5890 -2.8844 -2.8844 -2.7296 -2.7296 -2.6114 -2.6114 0.9388 0.9388 1.4560 1.4560 7.3758 7.3758 7.8287 7.8287 8.3851 8.3851 10.9010 10.9010 k = 0.5000 0.3008 0.5879 ( 7008 PWs) bands (ev): -41.7866 -41.7866 -41.7617 -41.7617 -15.6036 -15.6036 -13.7017 -13.7017 -3.5763 -3.5763 -2.8717 -2.8717 -2.7413 -2.7413 -2.5978 -2.5978 0.9719 0.9719 1.4698 1.4698 7.3675 7.3675 7.8055 7.8055 8.3076 8.3076 10.9248 10.9248 k = 0.5000 0.3008 0.5720 ( 7008 PWs) bands (ev): -41.7875 -41.7875 -41.7609 -41.7609 -15.6061 -15.6061 -13.7048 -13.7048 -3.5627 -3.5627 -2.8589 -2.8589 -2.7528 -2.7528 -2.5843 -2.5843 1.0055 1.0055 1.4839 1.4839 7.3590 7.3590 7.7806 7.7806 8.2236 8.2236 10.9609 10.9609 k = 0.5000 0.3008 0.5561 ( 7004 PWs) bands (ev): -41.7885 -41.7885 -41.7600 -41.7600 -15.6087 -15.6087 -13.7078 -13.7078 -3.5482 -3.5482 -2.8458 -2.8458 -2.7643 -2.7643 -2.5709 -2.5709 1.0394 1.0394 1.4983 1.4983 7.3504 7.3504 7.7542 7.7542 8.1342 8.1342 11.0080 11.0080 k = 0.5000 0.3008 0.5403 ( 7000 PWs) bands (ev): -41.7895 -41.7895 -41.7591 -41.7591 -15.6113 -15.6113 -13.7109 -13.7109 -3.5328 -3.5328 -2.8325 -2.8325 -2.7756 -2.7756 -2.5577 -2.5577 1.0735 1.0735 1.5129 1.5129 7.3417 7.3417 7.7262 7.7262 8.0407 8.0407 11.0650 11.0650 k = 0.5000 0.3008 0.5244 ( 6992 PWs) bands (ev): -41.7905 -41.7905 -41.7583 -41.7583 -15.6140 -15.6140 -13.7141 -13.7141 -3.5165 -3.5165 -2.8191 -2.8191 -2.7867 -2.7867 -2.5447 -2.5447 1.1079 1.1079 1.5276 1.5276 7.3329 7.3329 7.6960 7.6960 7.9447 7.9447 11.1307 11.1307 k = 0.5000 0.3008 0.5085 ( 6988 PWs) bands (ev): -41.7915 -41.7915 -41.7574 -41.7574 -15.6167 -15.6167 -13.7172 -13.7172 -3.4993 -3.4993 -2.8060 -2.8060 -2.7973 -2.7973 -2.5321 -2.5321 1.1424 1.1424 1.5425 1.5425 7.3240 7.3240 7.6625 7.6625 7.8487 7.8487 11.2037 11.2037 k = 0.5000 0.3008 0.4926 ( 6988 PWs) bands (ev): -41.7925 -41.7925 -41.7565 -41.7565 -15.6194 -15.6194 -13.7204 -13.7204 -3.4812 -3.4812 -2.8090 -2.8090 -2.7914 -2.7914 -2.5198 -2.5198 1.1769 1.1769 1.5574 1.5574 7.3151 7.3151 7.6212 7.6212 7.7578 7.7578 11.2829 11.2829 k = 0.5000 0.3008 0.4767 ( 6990 PWs) bands (ev): -41.7935 -41.7935 -41.7556 -41.7556 -15.6222 -15.6222 -13.7236 -13.7236 -3.4622 -3.4622 -2.8194 -2.8194 -2.7778 -2.7778 -2.5079 -2.5079 1.2113 1.2113 1.5724 1.5724 7.3062 7.3062 7.5623 7.5623 7.6831 7.6831 11.3498 11.3498 k = 0.5000 0.3008 0.4608 ( 6994 PWs) bands (ev): -41.7945 -41.7945 -41.7547 -41.7547 -15.6249 -15.6249 -13.7268 -13.7268 -3.4423 -3.4423 -2.8297 -2.8297 -2.7641 -2.7641 -2.4965 -2.4965 1.2457 1.2457 1.5875 1.5875 7.2972 7.2972 7.4797 7.4797 7.6313 7.6313 11.3548 11.3548 k = 0.5000 0.3008 0.4449 ( 7008 PWs) bands (ev): -41.7955 -41.7955 -41.7538 -41.7538 -15.6277 -15.6277 -13.7299 -13.7299 -3.4216 -3.4216 -2.8397 -2.8397 -2.7504 -2.7504 -2.4857 -2.4857 1.2798 1.2798 1.6025 1.6025 7.2883 7.2883 7.3835 7.3835 7.5932 7.5932 11.3546 11.3546 k = 0.5000 0.3008 0.4290 ( 7004 PWs) bands (ev): -41.7965 -41.7965 -41.7529 -41.7529 -15.6304 -15.6304 -13.7331 -13.7331 -3.4000 -3.4000 -2.8495 -2.8495 -2.7367 -2.7367 -2.4755 -2.4755 1.3136 1.3136 1.6174 1.6174 7.2787 7.2787 7.2832 7.2832 7.5606 7.5606 11.3495 11.3495 k = 0.5000 0.3008 0.4131 ( 7008 PWs) bands (ev): -41.7975 -41.7975 -41.7520 -41.7520 -15.6332 -15.6332 -13.7362 -13.7362 -3.3777 -3.3777 -2.8590 -2.8590 -2.7231 -2.7231 -2.4660 -2.4660 1.3471 1.3471 1.6322 1.6322 7.1798 7.1798 7.2708 7.2708 7.5307 7.5307 11.3395 11.3395 k = 0.5000 0.3008 0.3972 ( 7016 PWs) bands (ev): -41.7985 -41.7985 -41.7512 -41.7512 -15.6359 -15.6359 -13.7393 -13.7393 -3.3546 -3.3546 -2.8682 -2.8682 -2.7096 -2.7096 -2.4572 -2.4572 1.3801 1.3801 1.6469 1.6469 7.0775 7.0775 7.2621 7.2621 7.5024 7.5024 11.3251 11.3251 k = 0.5000 0.3008 0.3814 ( 7012 PWs) bands (ev): -41.7994 -41.7994 -41.7503 -41.7503 -15.6385 -15.6385 -13.7423 -13.7423 -3.3307 -3.3307 -2.8771 -2.8771 -2.6963 -2.6963 -2.4492 -2.4492 1.4127 1.4127 1.6614 1.6614 6.9763 6.9763 7.2536 7.2536 7.4751 7.4751 11.3066 11.3066 k = 0.5000 0.3008 0.3655 ( 7008 PWs) bands (ev): -41.8004 -41.8004 -41.7495 -41.7495 -15.6412 -15.6412 -13.7453 -13.7453 -3.3062 -3.3062 -2.8856 -2.8856 -2.6831 -2.6831 -2.4420 -2.4420 1.4446 1.4446 1.6757 1.6757 6.8768 6.8768 7.2452 7.2452 7.4489 7.4489 11.2844 11.2844 k = 0.5000 0.3008 0.3496 ( 7002 PWs) bands (ev): -41.8013 -41.8013 -41.7487 -41.7487 -15.6438 -15.6438 -13.7482 -13.7482 -3.2811 -3.2811 -2.8938 -2.8938 -2.6702 -2.6702 -2.4358 -2.4358 1.4759 1.4759 1.6897 1.6897 6.7793 6.7793 7.2370 7.2370 7.4236 7.4236 11.2590 11.2590 k = 0.5000 0.3008 0.3337 ( 6994 PWs) bands (ev): -41.8022 -41.8022 -41.7479 -41.7479 -15.6463 -15.6463 -13.7510 -13.7510 -3.2554 -3.2554 -2.9017 -2.9017 -2.6576 -2.6576 -2.4305 -2.4305 1.5065 1.5065 1.7034 1.7034 6.6844 6.6844 7.2290 7.2290 7.3992 7.3992 11.2308 11.2308 k = 0.5000 0.3008 0.3178 ( 6998 PWs) bands (ev): -41.8031 -41.8031 -41.7471 -41.7471 -15.6488 -15.6488 -13.7538 -13.7538 -3.2291 -3.2291 -2.9092 -2.9092 -2.6453 -2.6453 -2.4261 -2.4261 1.5362 1.5362 1.7167 1.7167 6.5922 6.5922 7.2212 7.2212 7.3758 7.3758 11.2005 11.2005 k = 0.5000 0.3008 0.3019 ( 6986 PWs) bands (ev): -41.8039 -41.8039 -41.7463 -41.7463 -15.6512 -15.6512 -13.7565 -13.7565 -3.2025 -3.2025 -2.9163 -2.9163 -2.6333 -2.6333 -2.4229 -2.4229 1.5651 1.5651 1.7297 1.7297 6.5030 6.5030 7.2137 7.2137 7.3533 7.3533 11.1685 11.1685 k = 0.5000 0.3008 0.2860 ( 6986 PWs) bands (ev): -41.8047 -41.8047 -41.7456 -41.7456 -15.6535 -15.6535 -13.7591 -13.7591 -3.1755 -3.1755 -2.9231 -2.9231 -2.6217 -2.6217 -2.4206 -2.4206 1.5930 1.5930 1.7423 1.7423 6.4171 6.4171 7.2064 7.2064 7.3319 7.3319 11.1353 11.1353 k = 0.5000 0.3008 0.2701 ( 6986 PWs) bands (ev): -41.8055 -41.8055 -41.7449 -41.7449 -15.6558 -15.6558 -13.7616 -13.7616 -3.1482 -3.1482 -2.9296 -2.9296 -2.6105 -2.6105 -2.4195 -2.4195 1.6199 1.6199 1.7544 1.7544 6.3347 6.3347 7.1994 7.1994 7.3114 7.3114 11.1014 11.1014 k = 0.5000 0.3008 0.2542 ( 6994 PWs) bands (ev): -41.8063 -41.8063 -41.7442 -41.7442 -15.6580 -15.6580 -13.7640 -13.7640 -3.1207 -3.1207 -2.9356 -2.9356 -2.5998 -2.5998 -2.4195 -2.4195 1.6457 1.6457 1.7660 1.7660 6.2561 6.2561 7.1927 7.1927 7.2920 7.2920 11.0671 11.0671 k = 0.5000 0.3008 0.2383 ( 6998 PWs) bands (ev): -41.8070 -41.8070 -41.7436 -41.7436 -15.6600 -15.6600 -13.7662 -13.7662 -3.0931 -3.0931 -2.9413 -2.9413 -2.5896 -2.5896 -2.4205 -2.4205 1.6704 1.6704 1.7771 1.7771 6.1812 6.1812 7.1863 7.1863 7.2736 7.2736 11.0330 11.0330 k = 0.5000 0.3008 0.2225 ( 6998 PWs) bands (ev): -41.8077 -41.8077 -41.7430 -41.7430 -15.6620 -15.6620 -13.7684 -13.7684 -3.0655 -3.0655 -2.9466 -2.9466 -2.5798 -2.5798 -2.4228 -2.4228 1.6938 1.6938 1.7877 1.7877 6.1105 6.1105 7.1802 7.1802 7.2564 7.2564 10.9995 10.9995 k = 0.5000 0.3008 0.2066 ( 6986 PWs) bands (ev): -41.8083 -41.8083 -41.7424 -41.7424 -15.6639 -15.6639 -13.7704 -13.7704 -3.0381 -3.0381 -2.9516 -2.9516 -2.5706 -2.5706 -2.4261 -2.4261 1.7159 1.7159 1.7977 1.7977 6.0439 6.0439 7.1745 7.1745 7.2403 7.2403 10.9667 10.9667 k = 0.5000 0.3008 0.1907 ( 6990 PWs) bands (ev): -41.8089 -41.8089 -41.7419 -41.7419 -15.6656 -15.6656 -13.7723 -13.7723 -3.0109 -3.0109 -2.9562 -2.9562 -2.5619 -2.5619 -2.4305 -2.4305 1.7366 1.7366 1.8071 1.8071 5.9817 5.9817 7.1692 7.1692 7.2253 7.2253 10.9352 10.9352 k = 0.5000 0.3008 0.1748 ( 6996 PWs) bands (ev): -41.8095 -41.8095 -41.7414 -41.7414 -15.6672 -15.6672 -13.7741 -13.7741 -2.9842 -2.9842 -2.9604 -2.9604 -2.5539 -2.5539 -2.4359 -2.4359 1.7559 1.7559 1.8159 1.8159 5.9240 5.9240 7.1642 7.1642 7.2115 7.2115 10.9052 10.9052 k = 0.5000 0.3008 0.1589 ( 7004 PWs) bands (ev): -41.8100 -41.8100 -41.7409 -41.7409 -15.6688 -15.6688 -13.7758 -13.7758 -2.9644 -2.9644 -2.9578 -2.9578 -2.5465 -2.5465 -2.4422 -2.4422 1.7737 1.7737 1.8240 1.8240 5.8709 5.8709 7.1596 7.1596 7.1988 7.1988 10.8769 10.8769 k = 0.5000 0.3008 0.1430 ( 7004 PWs) bands (ev): -41.8105 -41.8105 -41.7405 -41.7405 -15.6701 -15.6701 -13.7773 -13.7773 -2.9678 -2.9678 -2.9324 -2.9324 -2.5397 -2.5397 -2.4494 -2.4494 1.7899 1.7899 1.8315 1.8315 5.8225 5.8225 7.1554 7.1554 7.1874 7.1874 10.8506 10.8506 k = 0.5000 0.3008 0.1271 ( 7004 PWs) bands (ev): -41.8109 -41.8109 -41.7401 -41.7401 -15.6714 -15.6714 -13.7786 -13.7786 -2.9709 -2.9709 -2.9080 -2.9080 -2.5335 -2.5335 -2.4574 -2.4574 1.8045 1.8045 1.8383 1.8383 5.7789 5.7789 7.1515 7.1515 7.1771 7.1771 10.8265 10.8265 k = 0.5000 0.3008 0.1112 ( 7006 PWs) bands (ev): -41.8113 -41.8113 -41.7398 -41.7398 -15.6725 -15.6725 -13.7798 -13.7798 -2.9736 -2.9736 -2.8847 -2.8847 -2.5281 -2.5281 -2.4658 -2.4658 1.8174 1.8174 1.8445 1.8445 5.7402 5.7402 7.1481 7.1481 7.1681 7.1681 10.8048 10.8048 k = 0.5000 0.3008 0.0953 ( 7012 PWs) bands (ev): -41.8116 -41.8116 -41.7395 -41.7395 -15.6735 -15.6735 -13.7809 -13.7809 -2.9760 -2.9760 -2.8630 -2.8630 -2.5234 -2.5234 -2.4744 -2.4744 1.8285 1.8285 1.8500 1.8500 5.7065 5.7065 7.1450 7.1450 7.1604 7.1604 10.7857 10.7857 k = 0.5000 0.3008 0.0794 ( 7002 PWs) bands (ev): -41.8119 -41.8119 -41.7392 -41.7392 -15.6743 -15.6743 -13.7817 -13.7817 -2.9780 -2.9780 -2.8433 -2.8433 -2.5194 -2.5194 -2.4830 -2.4830 1.8377 1.8377 1.8550 1.8550 5.6779 5.6779 7.1422 7.1422 7.1539 7.1539 10.7693 10.7693 k = 0.5000 0.3008 0.0636 ( 6998 PWs) bands (ev): -41.8121 -41.8121 -41.7390 -41.7390 -15.6750 -15.6750 -13.7825 -13.7825 -2.9797 -2.9797 -2.8260 -2.8260 -2.5163 -2.5163 -2.4910 -2.4910 1.8449 1.8449 1.8594 1.8594 5.6544 5.6544 7.1398 7.1398 7.1488 7.1488 10.7557 10.7557 k = 0.5000 0.3008 0.0477 ( 7002 PWs) bands (ev): -41.8123 -41.8123 -41.7389 -41.7389 -15.6755 -15.6755 -13.7830 -13.7830 -2.9809 -2.9809 -2.8116 -2.8116 -2.5141 -2.5141 -2.4979 -2.4979 1.8503 1.8503 1.8632 1.8632 5.6361 5.6361 7.1377 7.1377 7.1451 7.1451 10.7450 10.7450 k = 0.5000 0.3008 0.0318 ( 6990 PWs) bands (ev): -41.8125 -41.8125 -41.7387 -41.7387 -15.6759 -15.6759 -13.7835 -13.7835 -2.9818 -2.9818 -2.8007 -2.8007 -2.5131 -2.5131 -2.5028 -2.5028 1.8539 1.8539 1.8661 1.8661 5.6230 5.6230 7.1359 7.1359 7.1427 7.1427 10.7373 10.7373 k = 0.5000 0.3008 0.0159 ( 6994 PWs) bands (ev): -41.8125 -41.8125 -41.7387 -41.7387 -15.6761 -15.6761 -13.7837 -13.7837 -2.9824 -2.9824 -2.7939 -2.7939 -2.5134 -2.5134 -2.5051 -2.5051 1.8559 1.8559 1.8680 1.8680 5.6151 5.6151 7.1347 7.1347 7.1413 7.1413 10.7327 10.7327 k = 0.5000 0.3008-0.0000 ( 7002 PWs) bands (ev): -41.8126 -41.8126 -41.7386 -41.7386 -15.6762 -15.6762 -13.7838 -13.7838 -2.9826 -2.9826 -2.7915 -2.7915 -2.5137 -2.5137 -2.5056 -2.5056 1.8566 1.8566 1.8686 1.8686 5.6125 5.6125 7.1343 7.1343 7.1409 7.1409 10.7312 10.7312 k = 0.0000 0.0000 0.9700 ( 6988 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6980 -3.6980 -3.0447 -3.0447 -2.8126 -2.8126 -2.5502 -2.5502 0.4882 0.4882 1.2793 1.2793 7.4820 7.4820 7.8522 7.8522 8.8522 8.8522 10.5490 10.5490 k = 0.0132 0.0079 0.9700 ( 6998 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6980 -3.6980 -3.0443 -3.0443 -2.8131 -2.8131 -2.5502 -2.5502 0.4895 0.4895 1.2779 1.2779 7.4844 7.4844 7.8536 7.8536 8.8498 8.8498 10.5439 10.5439 k = 0.0263 0.0158 0.9700 ( 7002 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6979 -3.6979 -3.0433 -3.0433 -2.8144 -2.8144 -2.5504 -2.5504 0.4933 0.4933 1.2735 1.2735 7.4915 7.4915 7.8577 7.8577 8.8427 8.8427 10.5286 10.5286 k = 0.0395 0.0237 0.9700 ( 7002 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6976 -3.6976 -3.0416 -3.0416 -2.8167 -2.8167 -2.5508 -2.5508 0.4996 0.4996 1.2662 1.2662 7.5032 7.5032 7.8645 7.8645 8.8310 8.8310 10.5040 10.5040 k = 0.0526 0.0317 0.9700 ( 7014 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6973 -3.6973 -3.0391 -3.0391 -2.8198 -2.8198 -2.5512 -2.5512 0.5085 0.5085 1.2561 1.2561 7.5194 7.5194 7.8738 7.8738 8.8147 8.8147 10.4710 10.4710 k = 0.0658 0.0396 0.9700 ( 7006 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6970 -3.6970 -3.0361 -3.0361 -2.8238 -2.8238 -2.5518 -2.5518 0.5198 0.5198 1.2433 1.2433 7.5401 7.5401 7.8856 7.8856 8.7939 8.7939 10.4308 10.4308 k = 0.0789 0.0475 0.9700 ( 7008 PWs) bands (ev): -41.7734 -41.7734 -41.7733 -41.7733 -15.5698 -15.5698 -13.6603 -13.6603 -3.6966 -3.6966 -3.0323 -3.0323 -2.8285 -2.8285 -2.5524 -2.5524 0.5334 0.5334 1.2278 1.2278 7.5651 7.5651 7.8995 7.8995 8.7688 8.7688 10.3849 10.3849 k = 0.0921 0.0554 0.9700 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6961 -3.6961 -3.0279 -3.0279 -2.8340 -2.8340 -2.5531 -2.5531 0.5493 0.5493 1.2099 1.2099 7.5942 7.5942 7.9154 7.9154 8.7395 8.7395 10.3348 10.3348 k = 0.1053 0.0633 0.9700 ( 7026 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6956 -3.6956 -3.0229 -3.0229 -2.8402 -2.8402 -2.5539 -2.5539 0.5674 0.5674 1.1897 1.1897 7.6272 7.6272 7.9330 7.9330 8.7064 8.7064 10.2820 10.2820 k = 0.1184 0.0712 0.9700 ( 7030 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6951 -3.6951 -3.0173 -3.0173 -2.8470 -2.8470 -2.5547 -2.5547 0.5875 0.5875 1.1673 1.1673 7.6638 7.6638 7.9518 7.9518 8.6696 8.6696 10.2277 10.2277 k = 0.1316 0.0792 0.9700 ( 7040 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6945 -3.6945 -3.0111 -3.0111 -2.8545 -2.8545 -2.5555 -2.5555 0.6096 0.6096 1.1430 1.1430 7.7039 7.7039 7.9715 7.9715 8.6293 8.6293 10.1735 10.1735 k = 0.1447 0.0871 0.9700 ( 7034 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6940 -3.6940 -3.0044 -3.0044 -2.8624 -2.8624 -2.5563 -2.5563 0.6335 0.6335 1.1169 1.1169 7.7470 7.7470 7.9916 7.9916 8.5859 8.5859 10.1207 10.1207 k = 0.1579 0.0950 0.9700 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6935 -3.6935 -2.9972 -2.9972 -2.8708 -2.8708 -2.5571 -2.5571 0.6591 0.6591 1.0892 1.0892 7.7930 7.7930 8.0115 8.0115 8.5397 8.5397 10.0704 10.0704 k = 0.1711 0.1029 0.9700 ( 7018 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6930 -3.6930 -2.9896 -2.9896 -2.8795 -2.8795 -2.5578 -2.5578 0.6861 0.6861 1.0602 1.0602 7.8414 7.8414 8.0306 8.0306 8.4910 8.4910 10.0239 10.0239 k = 0.1842 0.1108 0.9700 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6603 -13.6603 -3.6926 -3.6926 -2.9815 -2.9815 -2.8886 -2.8886 -2.5585 -2.5585 0.7145 0.7145 1.0301 1.0301 7.8921 7.8921 8.0483 8.0483 8.4402 8.4402 9.9823 9.9823 k = 0.1974 0.1187 0.9700 ( 7022 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6922 -3.6922 -2.9731 -2.9731 -2.8979 -2.8979 -2.5590 -2.5590 0.7440 0.7440 0.9991 0.9991 7.9445 7.9445 8.0639 8.0639 8.3875 8.3875 9.9466 9.9466 k = 0.2105 0.1266 0.9700 ( 7016 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6919 -3.6919 -2.9643 -2.9643 -2.9073 -2.9073 -2.5595 -2.5595 0.7745 0.7745 0.9674 0.9674 7.9985 7.9985 8.0769 8.0769 8.3334 8.3334 9.9177 9.9177 k = 0.2237 0.1346 0.9700 ( 7036 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6917 -3.6917 -2.9554 -2.9554 -2.9168 -2.9168 -2.5598 -2.5598 0.8057 0.8057 0.9352 0.9352 8.0535 8.0535 8.0866 8.0866 8.2782 8.2782 9.8965 9.8965 k = 0.2368 0.1425 0.9700 ( 7028 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6916 -3.6916 -2.9464 -2.9464 -2.9260 -2.9260 -2.5600 -2.5600 0.8375 0.8375 0.9030 0.9030 8.0924 8.0924 8.1095 8.1095 8.2223 8.2223 9.8835 9.8835 k = 0.2500 0.1504 0.9700 ( 7024 PWs) bands (ev): -41.7734 -41.7734 -41.7734 -41.7734 -15.5698 -15.5698 -13.6604 -13.6604 -3.6915 -3.6915 -2.9399 -2.9399 -2.9326 -2.9326 -2.5601 -2.5601 0.8652 0.8652 0.8750 0.8750 8.0945 8.0945 8.1613 8.1613 8.1704 8.1704 9.8791 9.8791 Writing output data file Li2CN2.save init_run : 0.38s CPU 0.60s WALL ( 1 calls) electrons : 121.96s CPU 124.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 121.96s CPU 124.44s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 395 calls) cegterg : 104.06s CPU 104.88s WALL ( 413 calls) Called by sum_band: Called by *egterg: h_psi : 94.82s CPU 95.67s WALL ( 5734 calls) s_psi : 1.05s CPU 1.16s WALL ( 5734 calls) g_psi : 0.23s CPU 0.20s WALL ( 4926 calls) cdiaghg : 15.90s CPU 16.03s WALL ( 5321 calls) cegterg:over : 2.61s CPU 2.70s WALL ( 4926 calls) cegterg:upda : 2.63s CPU 2.67s WALL ( 4926 calls) cegterg:last : 1.62s CPU 1.58s WALL ( 1203 calls) cdiaghg:chol : 0.96s CPU 0.96s WALL ( 5321 calls) cdiaghg:inve : 0.33s CPU 0.28s WALL ( 5321 calls) cdiaghg:para : 1.16s CPU 1.06s WALL ( 10642 calls) Called by h_psi: h_psi:vloc : 91.48s CPU 92.28s WALL ( 5734 calls) h_psi:vnl : 3.15s CPU 3.21s WALL ( 5734 calls) add_vuspsi : 1.22s CPU 1.30s WALL ( 5734 calls) General routines calbec : 1.91s CPU 1.90s WALL ( 5734 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 87.14s CPU 87.76s WALL ( 427452 calls) davcio : 0.19s CPU 0.25s WALL ( 790 calls) Parallel routines fft_scatter : 27.68s CPU 26.98s WALL ( 427467 calls) PWSCF : 2m17.10s CPU 2m44.45s WALL This run was terminated on: 17: 9: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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