Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:13:27 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: ./MgH4xCOx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 59 17 2760 1313 206 Max 98 60 18 2762 1324 207 Sum 3501 2137 623 99393 47485 7427 bravais-lattice index = 14 lattice parameter (alat) = 10.7183 a.u. unit-cell volume = 775.6721 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 4 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.718275 celldm(2)= 1.000000 celldm(3)= 0.643642 celldm(4)= 0.097690 celldm(5)= 0.097690 celldm(6)= -0.142469 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.142469 0.989799 0.000000 ) a(3) = ( 0.062877 0.072576 0.636438 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.143937 -0.115209 ) b(2) = ( 0.000000 1.010306 -0.115209 ) b(3) = ( 0.000000 0.000000 1.571244 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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. # 4 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0115171 0.0132935 -0.0015159), wk = 0.0029674 k( 3) = ( 0.0230341 0.0265870 -0.0030318), wk = 0.0029674 k( 4) = ( 0.0345512 0.0398805 -0.0045477), wk = 0.0029674 k( 5) = ( 0.0460683 0.0531740 -0.0060637), wk = 0.0029674 k( 6) = ( 0.0575854 0.0664675 -0.0075796), wk = 0.0029674 k( 7) = ( 0.0691024 0.0797610 -0.0090955), wk = 0.0029674 k( 8) = ( 0.0806195 0.0930545 -0.0106114), wk = 0.0029674 k( 9) = ( 0.0921366 0.1063480 -0.0121273), wk = 0.0029674 k( 10) = ( 0.1036536 0.1196415 -0.0136432), wk = 0.0029674 k( 11) = ( 0.1151707 0.1329350 -0.0151591), wk = 0.0029674 k( 12) = ( 0.1266878 0.1462285 -0.0166750), wk = 0.0029674 k( 13) = ( 0.1382049 0.1595220 -0.0181910), wk = 0.0029674 k( 14) = ( 0.1497219 0.1728155 -0.0197069), wk = 0.0029674 k( 15) = ( 0.1612390 0.1861090 -0.0212228), wk = 0.0029674 k( 16) = ( 0.1727561 0.1994025 -0.0227387), wk = 0.0029674 k( 17) = ( 0.1842732 0.2126960 -0.0242546), wk = 0.0029674 k( 18) = ( 0.1957902 0.2259895 -0.0257705), wk = 0.0029674 k( 19) = ( 0.2073073 0.2392830 -0.0272864), wk = 0.0029674 k( 20) = ( 0.2188244 0.2525765 -0.0288024), wk = 0.0029674 k( 21) = ( 0.2303415 0.2658700 -0.0303183), wk = 0.0029674 k( 22) = ( 0.2418585 0.2791635 -0.0318342), wk = 0.0029674 k( 23) = ( 0.2533756 0.2924569 -0.0333501), wk = 0.0029674 k( 24) = ( 0.2648927 0.3057504 -0.0348660), wk = 0.0029674 k( 25) = ( 0.2764097 0.3190439 -0.0363819), wk = 0.0029674 k( 26) = ( 0.2879268 0.3323374 -0.0378978), wk = 0.0029674 k( 27) = ( 0.2994439 0.3456309 -0.0394138), wk = 0.0029674 k( 28) = ( 0.3109610 0.3589244 -0.0409297), wk = 0.0029674 k( 29) = ( 0.3224780 0.3722179 -0.0424456), wk = 0.0029674 k( 30) = ( 0.3339951 0.3855114 -0.0439615), wk = 0.0029674 k( 31) = ( 0.3455122 0.3988049 -0.0454774), wk = 0.0029674 k( 32) = ( 0.3570292 0.4120984 -0.0469933), wk = 0.0029674 k( 33) = ( 0.3685463 0.4253919 -0.0485092), wk = 0.0029674 k( 34) = ( 0.3800634 0.4386854 -0.0500252), wk = 0.0029674 k( 35) = ( 0.3915805 0.4519789 -0.0515411), wk = 0.0029674 k( 36) = ( 0.4030975 0.4652724 -0.0530570), wk = 0.0029674 k( 37) = ( 0.4146146 0.4785659 -0.0545729), wk = 0.0029674 k( 38) = ( 0.4261317 0.4918594 -0.0560888), wk = 0.0029674 k( 39) = ( 0.4376487 0.5051529 -0.0576047), wk = 0.0029674 k( 40) = ( 0.4376487 0.5051529 -0.0576047), wk = 0.0029674 k( 41) = ( 0.4394030 0.5071778 -0.0398482), wk = 0.0029674 k( 42) = ( 0.4411573 0.5092026 -0.0220917), wk = 0.0029674 k( 43) = ( 0.4429115 0.5112275 -0.0043352), wk = 0.0029674 k( 44) = ( 0.4446658 0.5132523 0.0134214), wk = 0.0029674 k( 45) = ( 0.4464201 0.5152772 0.0311779), wk = 0.0029674 k( 46) = ( 0.4481744 0.5173020 0.0489344), wk = 0.0029674 k( 47) = ( 0.4499286 0.5193269 0.0666909), wk = 0.0029674 k( 48) = ( 0.4516829 0.5213517 0.0844474), wk = 0.0029674 k( 49) = ( 0.4534372 0.5233766 0.1022040), wk = 0.0029674 k( 50) = ( 0.4551914 0.5254014 0.1199605), wk = 0.0029674 k( 51) = ( 0.4569457 0.5274263 0.1377170), wk = 0.0029674 k( 52) = ( 0.4587000 0.5294511 0.1554735), wk = 0.0029674 k( 53) = ( 0.4604542 0.5314760 0.1732300), wk = 0.0029674 k( 54) = ( 0.4622085 0.5335008 0.1909866), wk = 0.0029674 k( 55) = ( 0.4639628 0.5355257 0.2087431), wk = 0.0029674 k( 56) = ( 0.4657170 0.5375505 0.2264996), wk = 0.0029674 k( 57) = ( 0.4674713 0.5395754 0.2442561), wk = 0.0029674 k( 58) = ( 0.4692256 0.5416002 0.2620126), wk = 0.0029674 k( 59) = ( 0.4709798 0.5436251 0.2797692), wk = 0.0029674 k( 60) = ( 0.4727341 0.5456499 0.2975257), wk = 0.0029674 k( 61) = ( 0.4744884 0.5476748 0.3152822), wk = 0.0029674 k( 62) = ( 0.4762426 0.5496996 0.3330387), wk = 0.0029674 k( 63) = ( 0.4779969 0.5517245 0.3507953), wk = 0.0029674 k( 64) = ( 0.4797512 0.5537493 0.3685518), wk = 0.0029674 k( 65) = ( 0.4815055 0.5557742 0.3863083), wk = 0.0029674 k( 66) = ( 0.4832597 0.5577990 0.4040648), wk = 0.0029674 k( 67) = ( 0.4850140 0.5598239 0.4218213), wk = 0.0029674 k( 68) = ( 0.4867683 0.5618487 0.4395778), wk = 0.0029674 k( 69) = ( 0.4885225 0.5638736 0.4573344), wk = 0.0029674 k( 70) = ( 0.4902768 0.5658984 0.4750909), wk = 0.0029674 k( 71) = ( 0.4920311 0.5679233 0.4928474), wk = 0.0029674 k( 72) = ( 0.4937853 0.5699481 0.5106039), wk = 0.0029674 k( 73) = ( 0.4955396 0.5719730 0.5283605), wk = 0.0029674 k( 74) = ( 0.4972939 0.5739979 0.5461170), wk = 0.0029674 k( 75) = ( 0.4990481 0.5760227 0.5638735), wk = 0.0029674 k( 76) = ( 0.5008024 0.5780475 0.5816300), wk = 0.0029674 k( 77) = ( 0.5025567 0.5800724 0.5993865), wk = 0.0029674 k( 78) = ( 0.5043109 0.5820973 0.6171431), wk = 0.0029674 k( 79) = ( 0.5060652 0.5841221 0.6348996), wk = 0.0029674 k( 80) = ( 0.5078195 0.5861470 0.6526561), wk = 0.0029674 k( 81) = ( 0.5095737 0.5881718 0.6704126), wk = 0.0029674 k( 82) = ( 0.5095737 0.5881718 0.6704126), wk = 0.0029674 k( 83) = ( 0.4992987 0.5763120 0.6786419), wk = 0.0029674 k( 84) = ( 0.4890237 0.5644521 0.6868711), wk = 0.0029674 k( 85) = ( 0.4787487 0.5525923 0.6951004), wk = 0.0029674 k( 86) = ( 0.4684737 0.5407324 0.7033296), wk = 0.0029674 k( 87) = ( 0.4581987 0.5288726 0.7115588), wk = 0.0029674 k( 88) = ( 0.4479238 0.5170128 0.7197881), wk = 0.0029674 k( 89) = ( 0.4376487 0.5051529 0.7280173), wk = 0.0029674 k( 90) = ( 0.4273737 0.4932931 0.7362466), wk = 0.0029674 k( 91) = ( 0.4170988 0.4814332 0.7444758), wk = 0.0029674 k( 92) = ( 0.4068237 0.4695734 0.7527051), wk = 0.0029674 k( 93) = ( 0.3965488 0.4577135 0.7609343), wk = 0.0029674 k( 94) = ( 0.3862738 0.4458537 0.7691636), wk = 0.0029674 k( 95) = ( 0.3759988 0.4339939 0.7773928), wk = 0.0029674 k( 96) = ( 0.3657238 0.4221340 0.7856221), wk = 0.0029674 k( 97) = ( 0.3657238 0.4221340 0.7856221), wk = 0.0029674 k( 98) = ( 0.3539262 0.4085168 0.7856221), wk = 0.0029674 k( 99) = ( 0.3421287 0.3948996 0.7856221), wk = 0.0029674 k( 100) = ( 0.3303311 0.3812823 0.7856221), wk = 0.0029674 k( 101) = ( 0.3185336 0.3676651 0.7856221), wk = 0.0029674 k( 102) = ( 0.3067361 0.3540479 0.7856221), wk = 0.0029674 k( 103) = ( 0.2949385 0.3404307 0.7856221), wk = 0.0029674 k( 104) = ( 0.2831410 0.3268134 0.7856221), wk = 0.0029674 k( 105) = ( 0.2713434 0.3131962 0.7856221), wk = 0.0029674 k( 106) = ( 0.2595459 0.2995790 0.7856221), wk = 0.0029674 k( 107) = ( 0.2477484 0.2859617 0.7856221), wk = 0.0029674 k( 108) = ( 0.2359508 0.2723445 0.7856221), wk = 0.0029674 k( 109) = ( 0.2241533 0.2587273 0.7856221), wk = 0.0029674 k( 110) = ( 0.2123557 0.2451101 0.7856221), wk = 0.0029674 k( 111) = ( 0.2005582 0.2314928 0.7856221), wk = 0.0029674 k( 112) = ( 0.1887607 0.2178756 0.7856221), wk = 0.0029674 k( 113) = ( 0.1769631 0.2042584 0.7856221), wk = 0.0029674 k( 114) = ( 0.1651656 0.1906412 0.7856221), wk = 0.0029674 k( 115) = ( 0.1533680 0.1770239 0.7856221), wk = 0.0029674 k( 116) = ( 0.1415705 0.1634067 0.7856221), wk = 0.0029674 k( 117) = ( 0.1297729 0.1497895 0.7856221), wk = 0.0029674 k( 118) = ( 0.1179754 0.1361723 0.7856221), wk = 0.0029674 k( 119) = ( 0.1061779 0.1225550 0.7856221), wk = 0.0029674 k( 120) = ( 0.0943803 0.1089378 0.7856221), wk = 0.0029674 k( 121) = ( 0.0825828 0.0953206 0.7856221), wk = 0.0029674 k( 122) = ( 0.0707852 0.0817034 0.7856221), wk = 0.0029674 k( 123) = ( 0.0589877 0.0680861 0.7856221), wk = 0.0029674 k( 124) = ( 0.0471902 0.0544689 0.7856221), wk = 0.0029674 k( 125) = ( 0.0353926 0.0408517 0.7856221), wk = 0.0029674 k( 126) = ( 0.0235951 0.0272345 0.7856221), wk = 0.0029674 k( 127) = ( 0.0117975 0.0136172 0.7856221), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.7856221), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.7856221), wk = 0.0029674 k( 130) = ( 0.0135135 -0.0117077 0.7856221), wk = 0.0029674 k( 131) = ( 0.0270270 -0.0234154 0.7856221), wk = 0.0029674 k( 132) = ( 0.0405405 -0.0351231 0.7856221), wk = 0.0029674 k( 133) = ( 0.0540540 -0.0468307 0.7856221), wk = 0.0029674 k( 134) = ( 0.0675676 -0.0585384 0.7856221), wk = 0.0029674 k( 135) = ( 0.0810811 -0.0702461 0.7856221), wk = 0.0029674 k( 136) = ( 0.0945946 -0.0819538 0.7856221), wk = 0.0029674 k( 137) = ( 0.1081081 -0.0936615 0.7856221), wk = 0.0029674 k( 138) = ( 0.1216216 -0.1053692 0.7856221), wk = 0.0029674 k( 139) = ( 0.1351351 -0.1170769 0.7856221), wk = 0.0029674 k( 140) = ( 0.1486486 -0.1287846 0.7856221), wk = 0.0029674 k( 141) = ( 0.1621622 -0.1404922 0.7856221), wk = 0.0029674 k( 142) = ( 0.1756757 -0.1521999 0.7856221), wk = 0.0029674 k( 143) = ( 0.1891892 -0.1639076 0.7856221), wk = 0.0029674 k( 144) = ( 0.2027027 -0.1756153 0.7856221), wk = 0.0029674 k( 145) = ( 0.2162162 -0.1873230 0.7856221), wk = 0.0029674 k( 146) = ( 0.2297297 -0.1990307 0.7856221), wk = 0.0029674 k( 147) = ( 0.2432432 -0.2107384 0.7856221), wk = 0.0029674 k( 148) = ( 0.2567568 -0.2224461 0.7856221), wk = 0.0029674 k( 149) = ( 0.2702703 -0.2341537 0.7856221), wk = 0.0029674 k( 150) = ( 0.2837838 -0.2458614 0.7856221), wk = 0.0029674 k( 151) = ( 0.2972973 -0.2575691 0.7856221), wk = 0.0029674 k( 152) = ( 0.3108108 -0.2692768 0.7856221), wk = 0.0029674 k( 153) = ( 0.3243243 -0.2809845 0.7856221), wk = 0.0029674 k( 154) = ( 0.3378378 -0.2926922 0.7856221), wk = 0.0029674 k( 155) = ( 0.3513514 -0.3043999 0.7856221), wk = 0.0029674 k( 156) = ( 0.3648649 -0.3161076 0.7856221), wk = 0.0029674 k( 157) = ( 0.3783784 -0.3278152 0.7856221), wk = 0.0029674 k( 158) = ( 0.3918919 -0.3395229 0.7856221), wk = 0.0029674 k( 159) = ( 0.4054054 -0.3512306 0.7856221), wk = 0.0029674 k( 160) = ( 0.4189189 -0.3629383 0.7856221), wk = 0.0029674 k( 161) = ( 0.4324324 -0.3746460 0.7856221), wk = 0.0029674 k( 162) = ( 0.4459459 -0.3863537 0.7856221), wk = 0.0029674 k( 163) = ( 0.4594595 -0.3980614 0.7856221), wk = 0.0029674 k( 164) = ( 0.4729730 -0.4097690 0.7856221), wk = 0.0029674 k( 165) = ( 0.4864865 -0.4214767 0.7856221), wk = 0.0029674 k( 166) = ( 0.5000000 -0.4331844 0.7856221), wk = 0.0029674 k( 167) = ( 0.5000000 -0.4331844 0.7856221), wk = 0.0029674 k( 168) = ( 0.4904263 -0.4442348 0.7856221), wk = 0.0029674 k( 169) = ( 0.6342762 -0.2781970 0.6704126), wk = 0.0029674 k( 170) = ( 0.6325220 -0.2802219 0.6526561), wk = 0.0029674 k( 171) = ( 0.6307677 -0.2822468 0.6348996), wk = 0.0029674 k( 172) = ( 0.6290134 -0.2842716 0.6171431), wk = 0.0029674 k( 173) = ( 0.6272592 -0.2862964 0.5993865), wk = 0.0029674 k( 174) = ( 0.6255049 -0.2883213 0.5816300), wk = 0.0029674 k( 175) = ( 0.6237506 -0.2903462 0.5638735), wk = 0.0029674 k( 176) = ( 0.6219964 -0.2923710 0.5461170), wk = 0.0029674 k( 177) = ( 0.6202421 -0.2943958 0.5283604), wk = 0.0029674 k( 178) = ( 0.6184878 -0.2964207 0.5106039), wk = 0.0029674 k( 179) = ( 0.6167336 -0.2984456 0.4928474), wk = 0.0029674 k( 180) = ( 0.6149793 -0.3004704 0.4750909), wk = 0.0029674 k( 181) = ( 0.6132250 -0.3024953 0.4573344), wk = 0.0029674 k( 182) = ( 0.6114708 -0.3045201 0.4395778), wk = 0.0029674 k( 183) = ( 0.6097165 -0.3065450 0.4218213), wk = 0.0029674 k( 184) = ( 0.6079622 -0.3085698 0.4040648), wk = 0.0029674 k( 185) = ( 0.6062080 -0.3105947 0.3863083), wk = 0.0029674 k( 186) = ( 0.6044537 -0.3126195 0.3685518), wk = 0.0029674 k( 187) = ( 0.6026994 -0.3146444 0.3507952), wk = 0.0029674 k( 188) = ( 0.6009452 -0.3166692 0.3330387), wk = 0.0029674 k( 189) = ( 0.5991909 -0.3186941 0.3152822), wk = 0.0029674 k( 190) = ( 0.5974366 -0.3207189 0.2975257), wk = 0.0029674 k( 191) = ( 0.5956823 -0.3227438 0.2797692), wk = 0.0029674 k( 192) = ( 0.5939281 -0.3247686 0.2620126), wk = 0.0029674 k( 193) = ( 0.5921738 -0.3267935 0.2442561), wk = 0.0029674 k( 194) = ( 0.5904195 -0.3288183 0.2264996), wk = 0.0029674 k( 195) = ( 0.5886653 -0.3308432 0.2087431), wk = 0.0029674 k( 196) = ( 0.5869110 -0.3328680 0.1909866), wk = 0.0029674 k( 197) = ( 0.5851567 -0.3348929 0.1732300), wk = 0.0029674 k( 198) = ( 0.5834025 -0.3369177 0.1554735), wk = 0.0029674 k( 199) = ( 0.5816482 -0.3389426 0.1377170), wk = 0.0029674 k( 200) = ( 0.5798939 -0.3409674 0.1199605), wk = 0.0029674 k( 201) = ( 0.5781397 -0.3429923 0.1022040), wk = 0.0029674 k( 202) = ( 0.5763854 -0.3450171 0.0844474), wk = 0.0029674 k( 203) = ( 0.5746311 -0.3470420 0.0666909), wk = 0.0029674 k( 204) = ( 0.5728769 -0.3490668 0.0489344), wk = 0.0029674 k( 205) = ( 0.5711226 -0.3510917 0.0311779), wk = 0.0029674 k( 206) = ( 0.5693683 -0.3531165 0.0134214), wk = 0.0029674 k( 207) = ( 0.5676141 -0.3551414 -0.0043352), wk = 0.0029674 k( 208) = ( 0.5658598 -0.3571662 -0.0220917), wk = 0.0029674 k( 209) = ( 0.5641055 -0.3591911 -0.0398482), wk = 0.0029674 k( 210) = ( 0.5623512 -0.3612159 -0.0576047), wk = 0.0029674 k( 211) = ( 0.5623512 -0.3612159 -0.0576047), wk = 0.0029674 k( 212) = ( 0.5534439 -0.3714972 -0.0493755), wk = 0.0029674 k( 213) = ( 0.5445366 -0.3817784 -0.0411462), wk = 0.0029674 k( 214) = ( 0.5356293 -0.3920596 -0.0329170), wk = 0.0029674 k( 215) = ( 0.5267220 -0.4023408 -0.0246877), wk = 0.0029674 k( 216) = ( 0.5178146 -0.4126220 -0.0164585), wk = 0.0029674 k( 217) = ( 0.5089073 -0.4229032 -0.0082292), wk = 0.0029674 k( 218) = ( 0.5000000 -0.4331844 0.0000000), wk = 0.0029674 k( 219) = ( 0.5000000 -0.4331844 0.0000000), wk = 0.0029674 k( 220) = ( 0.4864865 -0.4214767 0.0000000), wk = 0.0029674 k( 221) = ( 0.4729730 -0.4097690 0.0000000), wk = 0.0029674 k( 222) = ( 0.4594595 -0.3980614 0.0000000), wk = 0.0029674 k( 223) = ( 0.4459459 -0.3863537 0.0000000), wk = 0.0029674 k( 224) = ( 0.4324324 -0.3746460 0.0000000), wk = 0.0029674 k( 225) = ( 0.4189189 -0.3629383 0.0000000), wk = 0.0029674 k( 226) = ( 0.4054054 -0.3512306 0.0000000), wk = 0.0029674 k( 227) = ( 0.3918919 -0.3395229 0.0000000), wk = 0.0029674 k( 228) = ( 0.3783784 -0.3278152 0.0000000), wk = 0.0029674 k( 229) = ( 0.3648649 -0.3161076 0.0000000), wk = 0.0029674 k( 230) = ( 0.3513514 -0.3043999 0.0000000), wk = 0.0029674 k( 231) = ( 0.3378378 -0.2926922 0.0000000), wk = 0.0029674 k( 232) = ( 0.3243243 -0.2809845 0.0000000), wk = 0.0029674 k( 233) = ( 0.3108108 -0.2692768 0.0000000), wk = 0.0029674 k( 234) = ( 0.2972973 -0.2575691 0.0000000), wk = 0.0029674 k( 235) = ( 0.2837838 -0.2458614 0.0000000), wk = 0.0029674 k( 236) = ( 0.2702703 -0.2341537 0.0000000), wk = 0.0029674 k( 237) = ( 0.2567568 -0.2224461 0.0000000), wk = 0.0029674 k( 238) = ( 0.2432432 -0.2107384 0.0000000), wk = 0.0029674 k( 239) = ( 0.2297297 -0.1990307 0.0000000), wk = 0.0029674 k( 240) = ( 0.2162162 -0.1873230 0.0000000), wk = 0.0029674 k( 241) = ( 0.2027027 -0.1756153 0.0000000), wk = 0.0029674 k( 242) = ( 0.1891892 -0.1639076 0.0000000), wk = 0.0029674 k( 243) = ( 0.1756757 -0.1521999 0.0000000), wk = 0.0029674 k( 244) = ( 0.1621622 -0.1404922 0.0000000), wk = 0.0029674 k( 245) = ( 0.1486486 -0.1287846 0.0000000), wk = 0.0029674 k( 246) = ( 0.1351351 -0.1170769 0.0000000), wk = 0.0029674 k( 247) = ( 0.1216216 -0.1053692 0.0000000), wk = 0.0029674 k( 248) = ( 0.1081081 -0.0936615 0.0000000), wk = 0.0029674 k( 249) = ( 0.0945946 -0.0819538 0.0000000), wk = 0.0029674 k( 250) = ( 0.0810811 -0.0702461 0.0000000), wk = 0.0029674 k( 251) = ( 0.0675676 -0.0585384 0.0000000), wk = 0.0029674 k( 252) = ( 0.0540540 -0.0468307 0.0000000), wk = 0.0029674 k( 253) = ( 0.0405405 -0.0351231 0.0000000), wk = 0.0029674 k( 254) = ( 0.0270270 -0.0234154 0.0000000), wk = 0.0029674 k( 255) = ( 0.0135135 -0.0117077 0.0000000), wk = 0.0029674 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 258) = ( 0.0172414 0.0024817 -0.0019864), wk = 0.0029674 k( 259) = ( 0.0344828 0.0049633 -0.0039727), wk = 0.0029674 k( 260) = ( 0.0517241 0.0074450 -0.0059591), wk = 0.0029674 k( 261) = ( 0.0689655 0.0099267 -0.0079455), wk = 0.0029674 k( 262) = ( 0.0862069 0.0124084 -0.0099318), wk = 0.0029674 k( 263) = ( 0.1034483 0.0148900 -0.0119182), wk = 0.0029674 k( 264) = ( 0.1206897 0.0173717 -0.0139046), wk = 0.0029674 k( 265) = ( 0.1379310 0.0198534 -0.0158910), wk = 0.0029674 k( 266) = ( 0.1551724 0.0223350 -0.0178773), wk = 0.0029674 k( 267) = ( 0.1724138 0.0248167 -0.0198637), wk = 0.0029674 k( 268) = ( 0.1896552 0.0272984 -0.0218501), wk = 0.0029674 k( 269) = ( 0.2068966 0.0297801 -0.0238364), wk = 0.0029674 k( 270) = ( 0.2241379 0.0322617 -0.0258228), wk = 0.0029674 k( 271) = ( 0.2413793 0.0347434 -0.0278092), wk = 0.0029674 k( 272) = ( 0.2586207 0.0372251 -0.0297955), wk = 0.0029674 k( 273) = ( 0.2758621 0.0397067 -0.0317819), wk = 0.0029674 k( 274) = ( 0.2931034 0.0421884 -0.0337683), wk = 0.0029674 k( 275) = ( 0.3103448 0.0446701 -0.0357547), wk = 0.0029674 k( 276) = ( 0.3275862 0.0471518 -0.0377410), wk = 0.0029674 k( 277) = ( 0.3448276 0.0496334 -0.0397274), wk = 0.0029674 k( 278) = ( 0.3620690 0.0521151 -0.0417138), wk = 0.0029674 k( 279) = ( 0.3793103 0.0545968 -0.0437001), wk = 0.0029674 k( 280) = ( 0.3965517 0.0570785 -0.0456865), wk = 0.0029674 k( 281) = ( 0.4137931 0.0595601 -0.0476729), wk = 0.0029674 k( 282) = ( 0.4310345 0.0620418 -0.0496592), wk = 0.0029674 k( 283) = ( 0.4482759 0.0645235 -0.0516456), wk = 0.0029674 k( 284) = ( 0.4655172 0.0670051 -0.0536320), wk = 0.0029674 k( 285) = ( 0.4827586 0.0694868 -0.0556184), wk = 0.0029674 k( 286) = ( 0.5000000 0.0719685 -0.0576047), wk = 0.0029674 k( 287) = ( 0.5000000 0.0719685 0.7280173), wk = 0.0029674 k( 288) = ( 0.4900000 0.0705291 0.7134570), wk = 0.0029674 k( 289) = ( 0.4800000 0.0690897 0.6988966), wk = 0.0029674 k( 290) = ( 0.4700000 0.0676504 0.6843363), wk = 0.0029674 k( 291) = ( 0.4600000 0.0662110 0.6697760), wk = 0.0029674 k( 292) = ( 0.4500000 0.0647716 0.6552156), wk = 0.0029674 k( 293) = ( 0.4400000 0.0633323 0.6406553), wk = 0.0029674 k( 294) = ( 0.4300000 0.0618929 0.6260949), wk = 0.0029674 k( 295) = ( 0.4200000 0.0604535 0.6115346), wk = 0.0029674 k( 296) = ( 0.4100000 0.0590142 0.5969742), wk = 0.0029674 k( 297) = ( 0.4000000 0.0575748 0.5824139), wk = 0.0029674 k( 298) = ( 0.3900000 0.0561354 0.5678535), wk = 0.0029674 k( 299) = ( 0.3800000 0.0546960 0.5532932), wk = 0.0029674 k( 300) = ( 0.3700000 0.0532567 0.5387328), wk = 0.0029674 k( 301) = ( 0.3600000 0.0518173 0.5241725), wk = 0.0029674 k( 302) = ( 0.3500000 0.0503779 0.5096121), wk = 0.0029674 k( 303) = ( 0.3400000 0.0489386 0.4950518), wk = 0.0029674 k( 304) = ( 0.3300000 0.0474992 0.4804914), wk = 0.0029674 k( 305) = ( 0.3200000 0.0460598 0.4659311), wk = 0.0029674 k( 306) = ( 0.3100000 0.0446205 0.4513707), wk = 0.0029674 k( 307) = ( 0.3000000 0.0431811 0.4368104), wk = 0.0029674 k( 308) = ( 0.2900000 0.0417417 0.4222501), wk = 0.0029674 k( 309) = ( 0.2800000 0.0403024 0.4076897), wk = 0.0029674 k( 310) = ( 0.2700000 0.0388630 0.3931294), wk = 0.0029674 k( 311) = ( 0.2600000 0.0374236 0.3785690), wk = 0.0029674 k( 312) = ( 0.2500000 0.0359842 0.3640087), wk = 0.0029674 k( 313) = ( 0.2400000 0.0345449 0.3494483), wk = 0.0029674 k( 314) = ( 0.2300000 0.0331055 0.3348880), wk = 0.0029674 k( 315) = ( 0.2200000 0.0316661 0.3203276), wk = 0.0029674 k( 316) = ( 0.2100000 0.0302268 0.3057673), wk = 0.0029674 k( 317) = ( 0.2000000 0.0287874 0.2912069), wk = 0.0029674 k( 318) = ( 0.1900000 0.0273480 0.2766466), wk = 0.0029674 k( 319) = ( 0.1800000 0.0259087 0.2620862), wk = 0.0029674 k( 320) = ( 0.1700000 0.0244693 0.2475259), wk = 0.0029674 k( 321) = ( 0.1600000 0.0230299 0.2329655), wk = 0.0029674 k( 322) = ( 0.1500000 0.0215905 0.2184052), wk = 0.0029674 k( 323) = ( 0.1400000 0.0201512 0.2038449), wk = 0.0029674 k( 324) = ( 0.1300000 0.0187118 0.1892845), wk = 0.0029674 k( 325) = ( 0.1200000 0.0172724 0.1747242), wk = 0.0029674 k( 326) = ( 0.1100000 0.0158331 0.1601638), wk = 0.0029674 k( 327) = ( 0.1000000 0.0143937 0.1456035), wk = 0.0029674 k( 328) = ( 0.0900000 0.0129543 0.1310431), wk = 0.0029674 k( 329) = ( 0.0800000 0.0115150 0.1164828), wk = 0.0029674 k( 330) = ( 0.0700000 0.0100756 0.1019224), wk = 0.0029674 k( 331) = ( 0.0600000 0.0086362 0.0873621), wk = 0.0029674 k( 332) = ( 0.0500000 0.0071968 0.0728017), wk = 0.0029674 k( 333) = ( 0.0400000 0.0057575 0.0582414), wk = 0.0029674 k( 334) = ( 0.0300000 0.0043181 0.0436810), wk = 0.0029674 k( 335) = ( 0.0200000 0.0028787 0.0291207), wk = 0.0029674 k( 336) = ( 0.0100000 0.0014394 0.0145603), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0115171 0.0115171 0.0007242), wk = 0.0029674 k( 3) = ( 0.0230341 0.0230341 0.0014483), wk = 0.0029674 k( 4) = ( 0.0345512 0.0345512 0.0021725), wk = 0.0029674 k( 5) = ( 0.0460683 0.0460683 0.0028967), wk = 0.0029674 k( 6) = ( 0.0575854 0.0575854 0.0036208), wk = 0.0029674 k( 7) = ( 0.0691024 0.0691024 0.0043450), wk = 0.0029674 k( 8) = ( 0.0806195 0.0806195 0.0050691), wk = 0.0029674 k( 9) = ( 0.0921366 0.0921366 0.0057933), wk = 0.0029674 k( 10) = ( 0.1036536 0.1036537 0.0065175), wk = 0.0029674 k( 11) = ( 0.1151707 0.1151707 0.0072416), wk = 0.0029674 k( 12) = ( 0.1266878 0.1266878 0.0079658), wk = 0.0029674 k( 13) = ( 0.1382049 0.1382049 0.0086900), wk = 0.0029674 k( 14) = ( 0.1497219 0.1497219 0.0094141), wk = 0.0029674 k( 15) = ( 0.1612390 0.1612390 0.0101383), wk = 0.0029674 k( 16) = ( 0.1727561 0.1727561 0.0108625), wk = 0.0029674 k( 17) = ( 0.1842732 0.1842732 0.0115866), wk = 0.0029674 k( 18) = ( 0.1957902 0.1957902 0.0123108), wk = 0.0029674 k( 19) = ( 0.2073073 0.2073073 0.0130349), wk = 0.0029674 k( 20) = ( 0.2188244 0.2188244 0.0137591), wk = 0.0029674 k( 21) = ( 0.2303415 0.2303415 0.0144833), wk = 0.0029674 k( 22) = ( 0.2418585 0.2418585 0.0152074), wk = 0.0029674 k( 23) = ( 0.2533756 0.2533756 0.0159316), wk = 0.0029674 k( 24) = ( 0.2648927 0.2648927 0.0166558), wk = 0.0029674 k( 25) = ( 0.2764097 0.2764097 0.0173799), wk = 0.0029674 k( 26) = ( 0.2879268 0.2879268 0.0181041), wk = 0.0029674 k( 27) = ( 0.2994439 0.2994439 0.0188283), wk = 0.0029674 k( 28) = ( 0.3109610 0.3109610 0.0195524), wk = 0.0029674 k( 29) = ( 0.3224780 0.3224780 0.0202766), wk = 0.0029674 k( 30) = ( 0.3339951 0.3339951 0.0210007), wk = 0.0029674 k( 31) = ( 0.3455122 0.3455122 0.0217249), wk = 0.0029674 k( 32) = ( 0.3570292 0.3570292 0.0224491), wk = 0.0029674 k( 33) = ( 0.3685463 0.3685463 0.0231732), wk = 0.0029674 k( 34) = ( 0.3800634 0.3800634 0.0238974), wk = 0.0029674 k( 35) = ( 0.3915805 0.3915805 0.0246215), wk = 0.0029674 k( 36) = ( 0.4030975 0.4030975 0.0253457), wk = 0.0029674 k( 37) = ( 0.4146146 0.4146146 0.0260699), wk = 0.0029674 k( 38) = ( 0.4261317 0.4261317 0.0267940), wk = 0.0029674 k( 39) = ( 0.4376487 0.4376488 0.0275182), wk = 0.0029674 k( 40) = ( 0.4376487 0.4376488 0.0275182), wk = 0.0029674 k( 41) = ( 0.4394030 0.4394030 0.0390764), wk = 0.0029674 k( 42) = ( 0.4411573 0.4411573 0.0506346), wk = 0.0029674 k( 43) = ( 0.4429115 0.4429116 0.0621928), wk = 0.0029674 k( 44) = ( 0.4446658 0.4446658 0.0737510), wk = 0.0029674 k( 45) = ( 0.4464201 0.4464201 0.0853092), wk = 0.0029674 k( 46) = ( 0.4481744 0.4481744 0.0968673), wk = 0.0029674 k( 47) = ( 0.4499286 0.4499286 0.1084255), wk = 0.0029674 k( 48) = ( 0.4516829 0.4516829 0.1199837), wk = 0.0029674 k( 49) = ( 0.4534372 0.4534372 0.1315419), wk = 0.0029674 k( 50) = ( 0.4551914 0.4551914 0.1431001), wk = 0.0029674 k( 51) = ( 0.4569457 0.4569457 0.1546583), wk = 0.0029674 k( 52) = ( 0.4587000 0.4587000 0.1662165), wk = 0.0029674 k( 53) = ( 0.4604542 0.4604542 0.1777747), wk = 0.0029674 k( 54) = ( 0.4622085 0.4622085 0.1893329), wk = 0.0029674 k( 55) = ( 0.4639628 0.4639628 0.2008910), wk = 0.0029674 k( 56) = ( 0.4657170 0.4657170 0.2124492), wk = 0.0029674 k( 57) = ( 0.4674713 0.4674713 0.2240074), wk = 0.0029674 k( 58) = ( 0.4692256 0.4692256 0.2355656), wk = 0.0029674 k( 59) = ( 0.4709798 0.4709798 0.2471238), wk = 0.0029674 k( 60) = ( 0.4727341 0.4727341 0.2586820), wk = 0.0029674 k( 61) = ( 0.4744884 0.4744884 0.2702402), wk = 0.0029674 k( 62) = ( 0.4762426 0.4762426 0.2817984), wk = 0.0029674 k( 63) = ( 0.4779969 0.4779969 0.2933566), wk = 0.0029674 k( 64) = ( 0.4797512 0.4797512 0.3049148), wk = 0.0029674 k( 65) = ( 0.4815055 0.4815055 0.3164729), wk = 0.0029674 k( 66) = ( 0.4832597 0.4832597 0.3280311), wk = 0.0029674 k( 67) = ( 0.4850140 0.4850140 0.3395893), wk = 0.0029674 k( 68) = ( 0.4867683 0.4867683 0.3511475), wk = 0.0029674 k( 69) = ( 0.4885225 0.4885225 0.3627057), wk = 0.0029674 k( 70) = ( 0.4902768 0.4902768 0.3742639), wk = 0.0029674 k( 71) = ( 0.4920311 0.4920311 0.3858221), wk = 0.0029674 k( 72) = ( 0.4937853 0.4937853 0.3973803), wk = 0.0029674 k( 73) = ( 0.4955396 0.4955396 0.4089385), wk = 0.0029674 k( 74) = ( 0.4972939 0.4972939 0.4204966), wk = 0.0029674 k( 75) = ( 0.4990481 0.4990481 0.4320548), wk = 0.0029674 k( 76) = ( 0.5008024 0.5008024 0.4436130), wk = 0.0029674 k( 77) = ( 0.5025567 0.5025567 0.4551712), wk = 0.0029674 k( 78) = ( 0.5043109 0.5043109 0.4667294), wk = 0.0029674 k( 79) = ( 0.5060652 0.5060652 0.4782876), wk = 0.0029674 k( 80) = ( 0.5078195 0.5078195 0.4898458), wk = 0.0029674 k( 81) = ( 0.5095737 0.5095737 0.5014040), wk = 0.0029674 k( 82) = ( 0.5095737 0.5095737 0.5014040), wk = 0.0029674 k( 83) = ( 0.4992987 0.4992987 0.5051346), wk = 0.0029674 k( 84) = ( 0.4890237 0.4890237 0.5088652), wk = 0.0029674 k( 85) = ( 0.4787487 0.4787487 0.5125958), wk = 0.0029674 k( 86) = ( 0.4684737 0.4684737 0.5163264), wk = 0.0029674 k( 87) = ( 0.4581987 0.4581987 0.5200570), wk = 0.0029674 k( 88) = ( 0.4479238 0.4479238 0.5237876), wk = 0.0029674 k( 89) = ( 0.4376487 0.4376488 0.5275182), wk = 0.0029674 k( 90) = ( 0.4273737 0.4273738 0.5312488), wk = 0.0029674 k( 91) = ( 0.4170988 0.4170988 0.5349794), wk = 0.0029674 k( 92) = ( 0.4068237 0.4068238 0.5387100), wk = 0.0029674 k( 93) = ( 0.3965488 0.3965488 0.5424406), wk = 0.0029674 k( 94) = ( 0.3862738 0.3862738 0.5461712), wk = 0.0029674 k( 95) = ( 0.3759988 0.3759988 0.5499018), wk = 0.0029674 k( 96) = ( 0.3657238 0.3657238 0.5536325), wk = 0.0029674 k( 97) = ( 0.3657238 0.3657238 0.5536325), wk = 0.0029674 k( 98) = ( 0.3539262 0.3539262 0.5519024), wk = 0.0029674 k( 99) = ( 0.3421287 0.3421287 0.5501723), wk = 0.0029674 k( 100) = ( 0.3303311 0.3303311 0.5484422), wk = 0.0029674 k( 101) = ( 0.3185336 0.3185336 0.5467121), wk = 0.0029674 k( 102) = ( 0.3067361 0.3067361 0.5449820), wk = 0.0029674 k( 103) = ( 0.2949385 0.2949385 0.5432520), wk = 0.0029674 k( 104) = ( 0.2831410 0.2831410 0.5415219), wk = 0.0029674 k( 105) = ( 0.2713434 0.2713434 0.5397918), wk = 0.0029674 k( 106) = ( 0.2595459 0.2595459 0.5380617), wk = 0.0029674 k( 107) = ( 0.2477484 0.2477484 0.5363317), wk = 0.0029674 k( 108) = ( 0.2359508 0.2359508 0.5346016), wk = 0.0029674 k( 109) = ( 0.2241533 0.2241533 0.5328715), wk = 0.0029674 k( 110) = ( 0.2123557 0.2123557 0.5311414), wk = 0.0029674 k( 111) = ( 0.2005582 0.2005582 0.5294113), wk = 0.0029674 k( 112) = ( 0.1887607 0.1887607 0.5276813), wk = 0.0029674 k( 113) = ( 0.1769631 0.1769631 0.5259512), wk = 0.0029674 k( 114) = ( 0.1651656 0.1651656 0.5242211), wk = 0.0029674 k( 115) = ( 0.1533680 0.1533680 0.5224910), wk = 0.0029674 k( 116) = ( 0.1415705 0.1415705 0.5207610), wk = 0.0029674 k( 117) = ( 0.1297729 0.1297729 0.5190309), wk = 0.0029674 k( 118) = ( 0.1179754 0.1179754 0.5173008), wk = 0.0029674 k( 119) = ( 0.1061779 0.1061779 0.5155707), wk = 0.0029674 k( 120) = ( 0.0943803 0.0943803 0.5138406), wk = 0.0029674 k( 121) = ( 0.0825828 0.0825828 0.5121106), wk = 0.0029674 k( 122) = ( 0.0707852 0.0707852 0.5103805), wk = 0.0029674 k( 123) = ( 0.0589877 0.0589877 0.5086504), wk = 0.0029674 k( 124) = ( 0.0471902 0.0471902 0.5069203), wk = 0.0029674 k( 125) = ( 0.0353926 0.0353926 0.5051902), wk = 0.0029674 k( 126) = ( 0.0235951 0.0235951 0.5034602), wk = 0.0029674 k( 127) = ( 0.0117975 0.0117975 0.5017301), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 130) = ( 0.0135135 -0.0135135 0.5000000), wk = 0.0029674 k( 131) = ( 0.0270270 -0.0270270 0.5000000), wk = 0.0029674 k( 132) = ( 0.0405405 -0.0405405 0.5000000), wk = 0.0029674 k( 133) = ( 0.0540540 -0.0540541 0.5000000), wk = 0.0029674 k( 134) = ( 0.0675676 -0.0675676 0.5000000), wk = 0.0029674 k( 135) = ( 0.0810811 -0.0810811 0.5000000), wk = 0.0029674 k( 136) = ( 0.0945946 -0.0945946 0.5000000), wk = 0.0029674 k( 137) = ( 0.1081081 -0.1081081 0.5000000), wk = 0.0029674 k( 138) = ( 0.1216216 -0.1216216 0.5000000), wk = 0.0029674 k( 139) = ( 0.1351351 -0.1351351 0.5000000), wk = 0.0029674 k( 140) = ( 0.1486486 -0.1486486 0.5000000), wk = 0.0029674 k( 141) = ( 0.1621622 -0.1621622 0.5000000), wk = 0.0029674 k( 142) = ( 0.1756757 -0.1756757 0.5000000), wk = 0.0029674 k( 143) = ( 0.1891892 -0.1891892 0.5000000), wk = 0.0029674 k( 144) = ( 0.2027027 -0.2027027 0.5000000), wk = 0.0029674 k( 145) = ( 0.2162162 -0.2162162 0.5000000), wk = 0.0029674 k( 146) = ( 0.2297297 -0.2297297 0.5000000), wk = 0.0029674 k( 147) = ( 0.2432432 -0.2432432 0.5000000), wk = 0.0029674 k( 148) = ( 0.2567568 -0.2567568 0.5000000), wk = 0.0029674 k( 149) = ( 0.2702703 -0.2702703 0.5000000), wk = 0.0029674 k( 150) = ( 0.2837838 -0.2837838 0.5000000), wk = 0.0029674 k( 151) = ( 0.2972973 -0.2972973 0.5000000), wk = 0.0029674 k( 152) = ( 0.3108108 -0.3108108 0.5000000), wk = 0.0029674 k( 153) = ( 0.3243243 -0.3243243 0.5000000), wk = 0.0029674 k( 154) = ( 0.3378378 -0.3378378 0.5000000), wk = 0.0029674 k( 155) = ( 0.3513514 -0.3513514 0.5000000), wk = 0.0029674 k( 156) = ( 0.3648649 -0.3648649 0.5000000), wk = 0.0029674 k( 157) = ( 0.3783784 -0.3783784 0.5000000), wk = 0.0029674 k( 158) = ( 0.3918919 -0.3918919 0.5000000), wk = 0.0029674 k( 159) = ( 0.4054054 -0.4054054 0.5000000), wk = 0.0029674 k( 160) = ( 0.4189189 -0.4189189 0.5000000), wk = 0.0029674 k( 161) = ( 0.4324324 -0.4324324 0.5000000), wk = 0.0029674 k( 162) = ( 0.4459459 -0.4459460 0.5000000), wk = 0.0029674 k( 163) = ( 0.4594595 -0.4594595 0.5000000), wk = 0.0029674 k( 164) = ( 0.4729730 -0.4729730 0.5000000), wk = 0.0029674 k( 165) = ( 0.4864865 -0.4864865 0.5000000), wk = 0.0029674 k( 166) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029674 k( 167) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0029674 k( 168) = ( 0.4904263 -0.5095737 0.4985960), wk = 0.0029674 k( 169) = ( 0.6342762 -0.3657238 0.4463676), wk = 0.0029674 k( 170) = ( 0.6325220 -0.3674780 0.4348094), wk = 0.0029674 k( 171) = ( 0.6307677 -0.3692323 0.4232512), wk = 0.0029674 k( 172) = ( 0.6290134 -0.3709866 0.4116930), wk = 0.0029674 k( 173) = ( 0.6272592 -0.3727408 0.4001348), wk = 0.0029674 k( 174) = ( 0.6255049 -0.3744951 0.3885766), wk = 0.0029674 k( 175) = ( 0.6237506 -0.3762494 0.3770184), wk = 0.0029674 k( 176) = ( 0.6219964 -0.3780036 0.3654602), wk = 0.0029674 k( 177) = ( 0.6202421 -0.3797579 0.3539020), wk = 0.0029674 k( 178) = ( 0.6184878 -0.3815122 0.3423439), wk = 0.0029674 k( 179) = ( 0.6167336 -0.3832664 0.3307857), wk = 0.0029674 k( 180) = ( 0.6149793 -0.3850207 0.3192275), wk = 0.0029674 k( 181) = ( 0.6132250 -0.3867750 0.3076693), wk = 0.0029674 k( 182) = ( 0.6114708 -0.3885292 0.2961111), wk = 0.0029674 k( 183) = ( 0.6097165 -0.3902835 0.2845529), wk = 0.0029674 k( 184) = ( 0.6079622 -0.3920378 0.2729947), wk = 0.0029674 k( 185) = ( 0.6062080 -0.3937921 0.2614365), wk = 0.0029674 k( 186) = ( 0.6044537 -0.3955463 0.2498783), wk = 0.0029674 k( 187) = ( 0.6026994 -0.3973006 0.2383202), wk = 0.0029674 k( 188) = ( 0.6009452 -0.3990549 0.2267620), wk = 0.0029674 k( 189) = ( 0.5991909 -0.4008091 0.2152038), wk = 0.0029674 k( 190) = ( 0.5974366 -0.4025634 0.2036456), wk = 0.0029674 k( 191) = ( 0.5956823 -0.4043177 0.1920874), wk = 0.0029674 k( 192) = ( 0.5939281 -0.4060719 0.1805292), wk = 0.0029674 k( 193) = ( 0.5921738 -0.4078262 0.1689710), wk = 0.0029674 k( 194) = ( 0.5904195 -0.4095805 0.1574128), wk = 0.0029674 k( 195) = ( 0.5886653 -0.4113347 0.1458546), wk = 0.0029674 k( 196) = ( 0.5869110 -0.4130890 0.1342965), wk = 0.0029674 k( 197) = ( 0.5851567 -0.4148433 0.1227383), wk = 0.0029674 k( 198) = ( 0.5834025 -0.4165975 0.1111801), wk = 0.0029674 k( 199) = ( 0.5816482 -0.4183518 0.0996219), wk = 0.0029674 k( 200) = ( 0.5798939 -0.4201061 0.0880637), wk = 0.0029674 k( 201) = ( 0.5781397 -0.4218603 0.0765055), wk = 0.0029674 k( 202) = ( 0.5763854 -0.4236146 0.0649473), wk = 0.0029674 k( 203) = ( 0.5746311 -0.4253689 0.0533891), wk = 0.0029674 k( 204) = ( 0.5728769 -0.4271231 0.0418309), wk = 0.0029674 k( 205) = ( 0.5711226 -0.4288774 0.0302727), wk = 0.0029674 k( 206) = ( 0.5693683 -0.4306317 0.0187146), wk = 0.0029674 k( 207) = ( 0.5676141 -0.4323859 0.0071564), wk = 0.0029674 k( 208) = ( 0.5658598 -0.4341402 -0.0044018), wk = 0.0029674 k( 209) = ( 0.5641055 -0.4358945 -0.0159600), wk = 0.0029674 k( 210) = ( 0.5623512 -0.4376488 -0.0275182), wk = 0.0029674 k( 211) = ( 0.5623512 -0.4376488 -0.0275182), wk = 0.0029674 k( 212) = ( 0.5534439 -0.4465561 -0.0235870), wk = 0.0029674 k( 213) = ( 0.5445366 -0.4554634 -0.0196559), wk = 0.0029674 k( 214) = ( 0.5356293 -0.4643707 -0.0157247), wk = 0.0029674 k( 215) = ( 0.5267220 -0.4732780 -0.0117935), wk = 0.0029674 k( 216) = ( 0.5178146 -0.4821854 -0.0078623), wk = 0.0029674 k( 217) = ( 0.5089073 -0.4910927 -0.0039312), wk = 0.0029674 k( 218) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0029674 k( 219) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0029674 k( 220) = ( 0.4864865 -0.4864865 0.0000000), wk = 0.0029674 k( 221) = ( 0.4729730 -0.4729730 0.0000000), wk = 0.0029674 k( 222) = ( 0.4594595 -0.4594595 0.0000000), wk = 0.0029674 k( 223) = ( 0.4459459 -0.4459460 0.0000000), wk = 0.0029674 k( 224) = ( 0.4324324 -0.4324324 0.0000000), wk = 0.0029674 k( 225) = ( 0.4189189 -0.4189189 0.0000000), wk = 0.0029674 k( 226) = ( 0.4054054 -0.4054054 -0.0000000), wk = 0.0029674 k( 227) = ( 0.3918919 -0.3918919 0.0000000), wk = 0.0029674 k( 228) = ( 0.3783784 -0.3783784 -0.0000000), wk = 0.0029674 k( 229) = ( 0.3648649 -0.3648649 -0.0000000), wk = 0.0029674 k( 230) = ( 0.3513514 -0.3513514 -0.0000000), wk = 0.0029674 k( 231) = ( 0.3378378 -0.3378378 0.0000000), wk = 0.0029674 k( 232) = ( 0.3243243 -0.3243243 0.0000000), wk = 0.0029674 k( 233) = ( 0.3108108 -0.3108108 -0.0000000), wk = 0.0029674 k( 234) = ( 0.2972973 -0.2972973 -0.0000000), wk = 0.0029674 k( 235) = ( 0.2837838 -0.2837838 -0.0000000), wk = 0.0029674 k( 236) = ( 0.2702703 -0.2702703 0.0000000), wk = 0.0029674 k( 237) = ( 0.2567568 -0.2567568 0.0000000), wk = 0.0029674 k( 238) = ( 0.2432432 -0.2432432 -0.0000000), wk = 0.0029674 k( 239) = ( 0.2297297 -0.2297297 0.0000000), wk = 0.0029674 k( 240) = ( 0.2162162 -0.2162162 0.0000000), wk = 0.0029674 k( 241) = ( 0.2027027 -0.2027027 -0.0000000), wk = 0.0029674 k( 242) = ( 0.1891892 -0.1891892 -0.0000000), wk = 0.0029674 k( 243) = ( 0.1756757 -0.1756757 0.0000000), wk = 0.0029674 k( 244) = ( 0.1621622 -0.1621622 0.0000000), wk = 0.0029674 k( 245) = ( 0.1486486 -0.1486486 -0.0000000), wk = 0.0029674 k( 246) = ( 0.1351351 -0.1351351 0.0000000), wk = 0.0029674 k( 247) = ( 0.1216216 -0.1216216 -0.0000000), wk = 0.0029674 k( 248) = ( 0.1081081 -0.1081081 0.0000000), wk = 0.0029674 k( 249) = ( 0.0945946 -0.0945946 -0.0000000), wk = 0.0029674 k( 250) = ( 0.0810811 -0.0810811 0.0000000), wk = 0.0029674 k( 251) = ( 0.0675676 -0.0675676 0.0000000), wk = 0.0029674 k( 252) = ( 0.0540540 -0.0540541 0.0000000), wk = 0.0029674 k( 253) = ( 0.0405405 -0.0405405 0.0000000), wk = 0.0029674 k( 254) = ( 0.0270270 -0.0270270 0.0000000), wk = 0.0029674 k( 255) = ( 0.0135135 -0.0135135 0.0000000), wk = 0.0029674 k( 256) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 257) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 258) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0029674 k( 259) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0029674 k( 260) = ( 0.0517241 0.0000000 0.0000000), wk = 0.0029674 k( 261) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0029674 k( 262) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0029674 k( 263) = ( 0.1034483 0.0000000 0.0000000), wk = 0.0029674 k( 264) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0029674 k( 265) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0029674 k( 266) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0029674 k( 267) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0029674 k( 268) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0029674 k( 269) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0029674 k( 270) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0029674 k( 271) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0029674 k( 272) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0029674 k( 273) = ( 0.2758621 -0.0000000 0.0000000), wk = 0.0029674 k( 274) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0029674 k( 275) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0029674 k( 276) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0029674 k( 277) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0029674 k( 278) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0029674 k( 279) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0029674 k( 280) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0029674 k( 281) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0029674 k( 282) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0029674 k( 283) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0029674 k( 284) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0029674 k( 285) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0029674 k( 286) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4900000 0.0000000 0.4900000), wk = 0.0029674 k( 289) = ( 0.4800000 -0.0000000 0.4800000), wk = 0.0029674 k( 290) = ( 0.4700000 0.0000000 0.4700000), wk = 0.0029674 k( 291) = ( 0.4600000 0.0000000 0.4600000), wk = 0.0029674 k( 292) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0029674 k( 293) = ( 0.4400000 -0.0000000 0.4400000), wk = 0.0029674 k( 294) = ( 0.4300000 0.0000000 0.4300000), wk = 0.0029674 k( 295) = ( 0.4200000 -0.0000000 0.4200000), wk = 0.0029674 k( 296) = ( 0.4100000 0.0000000 0.4100000), wk = 0.0029674 k( 297) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0029674 k( 298) = ( 0.3900000 -0.0000000 0.3900000), wk = 0.0029674 k( 299) = ( 0.3800000 0.0000000 0.3800000), wk = 0.0029674 k( 300) = ( 0.3700000 0.0000000 0.3700000), wk = 0.0029674 k( 301) = ( 0.3600000 0.0000000 0.3600000), wk = 0.0029674 k( 302) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0029674 k( 303) = ( 0.3400000 -0.0000000 0.3400000), wk = 0.0029674 k( 304) = ( 0.3300000 0.0000000 0.3300000), wk = 0.0029674 k( 305) = ( 0.3200000 -0.0000000 0.3200000), wk = 0.0029674 k( 306) = ( 0.3100000 -0.0000000 0.3100000), wk = 0.0029674 k( 307) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0029674 k( 308) = ( 0.2900000 0.0000000 0.2900000), wk = 0.0029674 k( 309) = ( 0.2800000 0.0000000 0.2800000), wk = 0.0029674 k( 310) = ( 0.2700000 0.0000000 0.2700000), wk = 0.0029674 k( 311) = ( 0.2600000 0.0000000 0.2600000), wk = 0.0029674 k( 312) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029674 k( 313) = ( 0.2400000 -0.0000000 0.2400000), wk = 0.0029674 k( 314) = ( 0.2300000 0.0000000 0.2300000), wk = 0.0029674 k( 315) = ( 0.2200000 -0.0000000 0.2200000), wk = 0.0029674 k( 316) = ( 0.2100000 -0.0000000 0.2100000), wk = 0.0029674 k( 317) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0029674 k( 318) = ( 0.1900000 0.0000000 0.1900000), wk = 0.0029674 k( 319) = ( 0.1800000 0.0000000 0.1800000), wk = 0.0029674 k( 320) = ( 0.1700000 -0.0000000 0.1700000), wk = 0.0029674 k( 321) = ( 0.1600000 -0.0000000 0.1600000), wk = 0.0029674 k( 322) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0029674 k( 323) = ( 0.1400000 0.0000000 0.1400000), wk = 0.0029674 k( 324) = ( 0.1300000 0.0000000 0.1300000), wk = 0.0029674 k( 325) = ( 0.1200000 -0.0000000 0.1200000), wk = 0.0029674 k( 326) = ( 0.1100000 -0.0000000 0.1100000), wk = 0.0029674 k( 327) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0029674 k( 328) = ( 0.0900000 0.0000000 0.0900000), wk = 0.0029674 k( 329) = ( 0.0800000 -0.0000000 0.0800000), wk = 0.0029674 k( 330) = ( 0.0700000 0.0000000 0.0700000), wk = 0.0029674 k( 331) = ( 0.0600000 -0.0000000 0.0600000), wk = 0.0029674 k( 332) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0029674 k( 333) = ( 0.0400000 -0.0000000 0.0400000), wk = 0.0029674 k( 334) = ( 0.0300000 -0.0000000 0.0300000), wk = 0.0029674 k( 335) = ( 0.0200000 -0.0000000 0.0200000), wk = 0.0029674 k( 336) = ( 0.0100000 -0.0000000 0.0100000), wk = 0.0029674 k( 337) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 Dense grid: 99393 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 47485 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 332, 42) NL pseudopotentials 0.20 Mb ( 166, 78) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2761) G-vector shells 0.02 Mb ( 2690) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 332, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.10 Mb ( 78, 2, 42) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./MgH4xCOx2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.3 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.3 secs Computing kpt #: 10 total cpu time spent up to now is 5.6 secs Computing kpt #: 11 total cpu time spent up to now is 5.9 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.8 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.8 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.5 secs Computing kpt #: 26 total cpu time spent up to now is 10.9 secs Computing kpt #: 27 total cpu time spent up to now is 11.2 secs Computing kpt #: 28 total cpu time spent up to now is 11.5 secs Computing kpt #: 29 total cpu time spent up to now is 11.9 secs Computing kpt #: 30 total cpu time spent up to now is 12.2 secs Computing kpt #: 31 total cpu time spent up to now is 12.6 secs Computing kpt #: 32 total cpu time spent up to now is 12.9 secs Computing kpt #: 33 total cpu time spent up to now is 13.3 secs Computing kpt #: 34 total cpu time spent up to now is 13.7 secs Computing kpt #: 35 total cpu time spent up to now is 14.1 secs Computing kpt #: 36 total cpu time spent up to now is 14.5 secs Computing kpt #: 37 total cpu time spent up to now is 15.0 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.8 secs Computing kpt #: 40 total cpu time spent up to now is 16.2 secs Computing kpt #: 41 total cpu time spent up to now is 16.6 secs Computing kpt #: 42 total cpu time spent up to now is 17.1 secs Computing kpt #: 43 total cpu time spent up to now is 17.5 secs Computing kpt #: 44 total cpu time spent up to now is 17.9 secs Computing kpt #: 45 total cpu time spent up to now is 18.3 secs Computing kpt #: 46 total cpu time spent up to now is 18.7 secs Computing kpt #: 47 total cpu time spent up to now is 19.1 secs Computing kpt #: 48 total cpu time spent up to now is 19.5 secs Computing kpt #: 49 total cpu time spent up to now is 19.8 secs Computing kpt #: 50 total cpu time spent up to now is 20.2 secs Computing kpt #: 51 total cpu time spent up to now is 20.5 secs Computing kpt #: 52 total cpu time spent up to now is 20.9 secs Computing kpt #: 53 total cpu time spent up to now is 21.3 secs Computing kpt #: 54 total cpu time spent up to now is 21.6 secs Computing kpt #: 55 total cpu time spent up to now is 22.0 secs Computing kpt #: 56 total cpu time spent up to now is 22.3 secs Computing kpt #: 57 total cpu time spent up to now is 22.7 secs Computing kpt #: 58 total cpu time spent up to now is 23.0 secs Computing kpt #: 59 total cpu time spent up to now is 23.4 secs Computing kpt #: 60 total cpu time spent up to now is 23.7 secs Computing kpt #: 61 total cpu time spent up to now is 24.0 secs Computing kpt #: 62 total cpu time spent up to now is 24.4 secs Computing kpt #: 63 total cpu time spent up to now is 24.7 secs Computing kpt #: 64 total cpu time spent up to now is 25.1 secs Computing kpt #: 65 total cpu time spent up to now is 25.4 secs Computing kpt #: 66 total cpu time spent up to now is 25.7 secs Computing kpt #: 67 total cpu time spent up to now is 26.1 secs Computing kpt #: 68 total cpu time spent up to now is 26.4 secs Computing kpt #: 69 total cpu time spent up to now is 26.7 secs Computing kpt #: 70 total cpu time spent up to now is 27.0 secs Computing kpt #: 71 total cpu time spent up to now is 27.4 secs Computing kpt #: 72 total cpu time spent up to now is 27.7 secs Computing kpt #: 73 total cpu time spent up to now is 28.0 secs Computing kpt #: 74 total cpu time spent up to now is 28.3 secs Computing kpt #: 75 total cpu time spent up to now is 28.7 secs Computing kpt #: 76 total cpu time spent up to now is 29.0 secs Computing kpt #: 77 total cpu time spent up to now is 29.3 secs Computing kpt #: 78 total cpu time spent up to now is 29.6 secs Computing kpt #: 79 total cpu time spent up to now is 30.0 secs Computing kpt #: 80 total cpu time spent up to now is 30.3 secs Computing kpt #: 81 total cpu time spent up to now is 30.6 secs Computing kpt #: 82 total cpu time spent up to now is 30.9 secs Computing kpt #: 83 total cpu time spent up to now is 31.2 secs Computing kpt #: 84 total cpu time spent up to now is 31.6 secs Computing kpt #: 85 total cpu time spent up to now is 31.9 secs Computing kpt #: 86 total cpu time spent up to now is 32.2 secs Computing kpt #: 87 total cpu time spent up to now is 32.5 secs Computing kpt #: 88 total cpu time spent up to now is 32.8 secs Computing kpt #: 89 total cpu time spent up to now is 33.2 secs Computing kpt #: 90 total cpu time spent up to now is 33.5 secs Computing kpt #: 91 total cpu time spent up to now is 33.8 secs Computing kpt #: 92 total cpu time spent up to now is 34.1 secs Computing kpt #: 93 total cpu time spent up to now is 34.5 secs Computing kpt #: 94 total cpu time spent up to now is 34.8 secs Computing kpt #: 95 total cpu time spent up to now is 35.2 secs Computing kpt #: 96 total cpu time spent up to now is 35.6 secs Computing kpt #: 97 total cpu time spent up to now is 35.9 secs Computing kpt #: 98 total cpu time spent up to now is 36.2 secs Computing kpt #: 99 total cpu time spent up to now is 36.6 secs Computing kpt #: 100 total cpu time spent up to now is 37.0 secs Computing kpt #: 101 total cpu time spent up to now is 37.3 secs Computing kpt #: 102 total cpu time spent up to now is 37.7 secs Computing kpt #: 103 total cpu time spent up to now is 38.0 secs Computing kpt #: 104 total cpu time spent up to now is 38.4 secs Computing kpt #: 105 total cpu time spent up to now is 38.8 secs Computing kpt #: 106 total cpu time spent up to now is 39.2 secs Computing kpt #: 107 total cpu time spent up to now is 39.6 secs Computing kpt #: 108 total cpu time spent up to now is 40.0 secs Computing kpt #: 109 total cpu time spent up to now is 40.4 secs Computing kpt #: 110 total cpu time spent up to now is 40.8 secs Computing kpt #: 111 total cpu time spent up to now is 41.3 secs Computing kpt #: 112 total cpu time spent up to now is 41.8 secs Computing kpt #: 113 total cpu time spent up to now is 42.2 secs Computing kpt #: 114 total cpu time spent up to now is 42.6 secs Computing kpt #: 115 total cpu time spent up to now is 43.1 secs Computing kpt #: 116 total cpu time spent up to now is 43.5 secs Computing kpt #: 117 total cpu time spent up to now is 43.8 secs Computing kpt #: 118 total cpu time spent up to now is 44.2 secs Computing kpt #: 119 total cpu time spent up to now is 44.6 secs Computing kpt #: 120 total cpu time spent up to now is 44.9 secs Computing kpt #: 121 total cpu time spent up to now is 45.3 secs Computing kpt #: 122 total cpu time spent up to now is 45.6 secs Computing kpt #: 123 total cpu time spent up to now is 46.0 secs Computing kpt #: 124 total cpu time spent up to now is 46.3 secs Computing kpt #: 125 total cpu time spent up to now is 46.6 secs Computing kpt #: 126 total cpu time spent up to now is 47.0 secs Computing kpt #: 127 total cpu time spent up to now is 47.3 secs Computing kpt #: 128 total cpu time spent up to now is 47.7 secs Computing kpt #: 129 total cpu time spent up to now is 48.0 secs Computing kpt #: 130 total cpu time spent up to now is 48.4 secs Computing kpt #: 131 total cpu time spent up to now is 48.7 secs Computing kpt #: 132 total cpu time spent up to now is 49.0 secs Computing kpt #: 133 total cpu time spent up to now is 49.4 secs Computing kpt #: 134 total cpu time spent up to now is 49.7 secs Computing kpt #: 135 total cpu time spent up to now is 50.0 secs Computing kpt #: 136 total cpu time spent up to now is 50.4 secs Computing kpt #: 137 total cpu time spent up to now is 50.7 secs Computing kpt #: 138 total cpu time spent up to now is 51.1 secs Computing kpt #: 139 total cpu time spent up to now is 51.4 secs Computing kpt #: 140 total cpu time spent up to now is 51.7 secs Computing kpt #: 141 total cpu time spent up to now is 52.1 secs Computing kpt #: 142 total cpu time spent up to now is 52.4 secs Computing kpt #: 143 total cpu time spent up to now is 52.8 secs Computing kpt #: 144 total cpu time spent up to now is 53.1 secs Computing kpt #: 145 total cpu time spent up to now is 53.5 secs Computing kpt #: 146 total cpu time spent up to now is 53.8 secs Computing kpt #: 147 total cpu time spent up to now is 54.2 secs Computing kpt #: 148 total cpu time spent up to now is 54.5 secs Computing kpt #: 149 total cpu time spent up to now is 54.8 secs Computing kpt #: 150 total cpu time spent up to now is 55.2 secs Computing kpt #: 151 total cpu time spent up to now is 55.5 secs Computing kpt #: 152 total cpu time spent up to now is 55.9 secs Computing kpt #: 153 total cpu time spent up to now is 56.2 secs Computing kpt #: 154 total cpu time spent up to now is 56.5 secs Computing kpt #: 155 total cpu time spent up to now is 56.9 secs Computing kpt #: 156 total cpu time spent up to now is 57.2 secs Computing kpt #: 157 total cpu time spent up to now is 57.6 secs Computing kpt #: 158 total cpu time spent up to now is 57.9 secs Computing kpt #: 159 total cpu time spent up to now is 58.2 secs Computing kpt #: 160 total cpu time spent up to now is 58.6 secs Computing kpt #: 161 total cpu time spent up to now is 58.9 secs Computing kpt #: 162 total cpu time spent up to now is 59.3 secs Computing kpt #: 163 total cpu time spent up to now is 59.6 secs Computing kpt #: 164 total cpu time spent up to now is 59.9 secs Computing kpt #: 165 total cpu time spent up to now is 60.2 secs Computing kpt #: 166 total cpu time spent up to now is 60.6 secs Computing kpt #: 167 total cpu time spent up to now is 60.9 secs Computing kpt #: 168 total cpu time spent up to now is 61.2 secs Computing kpt #: 169 total cpu time spent up to now is 61.6 secs Computing kpt #: 170 total cpu time spent up to now is 61.9 secs Computing kpt #: 171 total cpu time spent up to now is 62.2 secs Computing kpt #: 172 total cpu time spent up to now is 62.6 secs Computing kpt #: 173 total cpu time spent up to now is 62.9 secs Computing kpt #: 174 total cpu time spent up to now is 63.2 secs Computing kpt #: 175 total cpu time spent up to now is 63.6 secs Computing kpt #: 176 total cpu time spent up to now is 63.9 secs Computing kpt #: 177 total cpu time spent up to now is 64.3 secs Computing kpt #: 178 total cpu time spent up to now is 64.6 secs Computing kpt #: 179 total cpu time spent up to now is 64.9 secs Computing kpt #: 180 total cpu time spent up to now is 65.3 secs Computing kpt #: 181 total cpu time spent up to now is 65.6 secs Computing kpt #: 182 total cpu time spent up to now is 65.9 secs Computing kpt #: 183 total cpu time spent up to now is 66.3 secs Computing kpt #: 184 total cpu time spent up to now is 66.6 secs Computing kpt #: 185 total cpu time spent up to now is 67.0 secs Computing kpt #: 186 total cpu time spent up to now is 67.3 secs Computing kpt #: 187 total cpu time spent up to now is 67.6 secs Computing kpt #: 188 total cpu time spent up to now is 68.0 secs Computing kpt #: 189 total cpu time spent up to now is 68.3 secs Computing kpt #: 190 total cpu time spent up to now is 68.7 secs Computing kpt #: 191 total cpu time spent up to now is 69.1 secs Computing kpt #: 192 total cpu time spent up to now is 69.4 secs Computing kpt #: 193 total cpu time spent up to now is 69.8 secs Computing kpt #: 194 total cpu time spent up to now is 70.4 secs Computing kpt #: 195 total cpu time spent up to now is 70.7 secs Computing kpt #: 196 total cpu time spent up to now is 71.2 secs Computing kpt #: 197 total cpu time spent up to now is 71.8 secs Computing kpt #: 198 total cpu time spent up to now is 72.3 secs Computing kpt #: 199 total cpu time spent up to now is 72.8 secs Computing kpt #: 200 total cpu time spent up to now is 73.2 secs Computing kpt #: 201 total cpu time spent up to now is 73.6 secs Computing kpt #: 202 total cpu time spent up to now is 74.0 secs Computing kpt #: 203 total cpu time spent up to now is 74.4 secs Computing kpt #: 204 total cpu time spent up to now is 74.8 secs Computing kpt #: 205 total cpu time spent up to now is 75.3 secs Computing kpt #: 206 total cpu time spent up to now is 75.7 secs Computing kpt #: 207 total cpu time spent up to now is 76.3 secs Computing kpt #: 208 total cpu time spent up to now is 76.7 secs Computing kpt #: 209 total cpu time spent up to now is 77.1 secs Computing kpt #: 210 total cpu time spent up to now is 77.6 secs Computing kpt #: 211 total cpu time spent up to now is 78.0 secs Computing kpt #: 212 total cpu time spent up to now is 78.4 secs Computing kpt #: 213 total cpu time spent up to now is 78.8 secs Computing kpt #: 214 total cpu time spent up to now is 79.3 secs Computing kpt #: 215 total cpu time spent up to now is 79.8 secs Computing kpt #: 216 total cpu time spent up to now is 80.2 secs Computing kpt #: 217 total cpu time spent up to now is 80.7 secs Computing kpt #: 218 total cpu time spent up to now is 81.2 secs Computing kpt #: 219 total cpu time spent up to now is 81.6 secs Computing kpt #: 220 total cpu time spent up to now is 82.1 secs Computing kpt #: 221 total cpu time spent up to now is 82.5 secs Computing kpt #: 222 total cpu time spent up to now is 82.9 secs Computing kpt #: 223 total cpu time spent up to now is 83.3 secs Computing kpt #: 224 total cpu time spent up to now is 83.6 secs Computing kpt #: 225 total cpu time spent up to now is 84.0 secs Computing kpt #: 226 total cpu time spent up to now is 84.3 secs Computing kpt #: 227 total cpu time spent up to now is 84.7 secs Computing kpt #: 228 total cpu time spent up to now is 85.0 secs Computing kpt #: 229 total cpu time spent up to now is 85.3 secs Computing kpt #: 230 total cpu time spent up to now is 85.7 secs Computing kpt #: 231 total cpu time spent up to now is 86.0 secs Computing kpt #: 232 total cpu time spent up to now is 86.3 secs Computing kpt #: 233 total cpu time spent up to now is 86.7 secs Computing kpt #: 234 total cpu time spent up to now is 87.0 secs Computing kpt #: 235 total cpu time spent up to now is 87.3 secs Computing kpt #: 236 total cpu time spent up to now is 87.7 secs Computing kpt #: 237 total cpu time spent up to now is 88.0 secs Computing kpt #: 238 total cpu time spent up to now is 88.3 secs Computing kpt #: 239 total cpu time spent up to now is 88.6 secs Computing kpt #: 240 total cpu time spent up to now is 89.0 secs Computing kpt #: 241 total cpu time spent up to now is 89.3 secs Computing kpt #: 242 total cpu time spent up to now is 89.6 secs Computing kpt #: 243 total cpu time spent up to now is 89.9 secs Computing kpt #: 244 total cpu time spent up to now is 90.3 secs Computing kpt #: 245 total cpu time spent up to now is 90.6 secs Computing kpt #: 246 total cpu time spent up to now is 90.9 secs Computing kpt #: 247 total cpu time spent up to now is 91.2 secs Computing kpt #: 248 total cpu time spent up to now is 91.6 secs Computing kpt #: 249 total cpu time spent up to now is 91.9 secs Computing kpt #: 250 total cpu time spent up to now is 92.2 secs Computing kpt #: 251 total cpu time spent up to now is 92.5 secs Computing kpt #: 252 total cpu time spent up to now is 92.8 secs Computing kpt #: 253 total cpu time spent up to now is 93.1 secs Computing kpt #: 254 total cpu time spent up to now is 93.4 secs Computing kpt #: 255 total cpu time spent up to now is 93.8 secs Computing kpt #: 256 total cpu time spent up to now is 94.1 secs Computing kpt #: 257 total cpu time spent up to now is 94.4 secs Computing kpt #: 258 total cpu time spent up to now is 94.7 secs Computing kpt #: 259 total cpu time spent up to now is 95.0 secs Computing kpt #: 260 total cpu time spent up to now is 95.3 secs Computing kpt #: 261 total cpu time spent up to now is 95.6 secs Computing kpt #: 262 total cpu time spent up to now is 95.9 secs Computing kpt #: 263 total cpu time spent up to now is 96.3 secs Computing kpt #: 264 total cpu time spent up to now is 96.6 secs Computing kpt #: 265 total cpu time spent up to now is 96.9 secs Computing kpt #: 266 total cpu time spent up to now is 97.2 secs Computing kpt #: 267 total cpu time spent up to now is 97.5 secs Computing kpt #: 268 total cpu time spent up to now is 97.9 secs Computing kpt #: 269 total cpu time spent up to now is 98.2 secs Computing kpt #: 270 total cpu time spent up to now is 98.5 secs Computing kpt #: 271 total cpu time spent up to now is 98.9 secs Computing kpt #: 272 total cpu time spent up to now is 99.2 secs Computing kpt #: 273 total cpu time spent up to now is 99.5 secs Computing kpt #: 274 total cpu time spent up to now is 99.9 secs Computing kpt #: 275 total cpu time spent up to now is 100.2 secs Computing kpt #: 276 total cpu time spent up to now is 100.5 secs Computing kpt #: 277 total cpu time spent up to now is 100.9 secs Computing kpt #: 278 total cpu time spent up to now is 101.2 secs Computing kpt #: 279 total cpu time spent up to now is 101.6 secs Computing kpt #: 280 total cpu time spent up to now is 101.9 secs Computing kpt #: 281 total cpu time spent up to now is 102.3 secs Computing kpt #: 282 total cpu time spent up to now is 102.7 secs Computing kpt #: 283 total cpu time spent up to now is 103.0 secs Computing kpt #: 284 total cpu time spent up to now is 103.4 secs Computing kpt #: 285 total cpu time spent up to now is 103.8 secs Computing kpt #: 286 total cpu time spent up to now is 104.2 secs Computing kpt #: 287 total cpu time spent up to now is 104.6 secs Computing kpt #: 288 total cpu time spent up to now is 105.0 secs Computing kpt #: 289 total cpu time spent up to now is 105.5 secs Computing kpt #: 290 total cpu time spent up to now is 105.9 secs Computing kpt #: 291 total cpu time spent up to now is 106.3 secs Computing kpt #: 292 total cpu time spent up to now is 106.7 secs Computing kpt #: 293 total cpu time spent up to now is 107.1 secs Computing kpt #: 294 total cpu time spent up to now is 107.5 secs Computing kpt #: 295 total cpu time spent up to now is 107.8 secs Computing kpt #: 296 total cpu time spent up to now is 108.2 secs Computing kpt #: 297 total cpu time spent up to now is 108.6 secs Computing kpt #: 298 total cpu time spent up to now is 108.9 secs Computing kpt #: 299 total cpu time spent up to now is 109.3 secs Computing kpt #: 300 total cpu time spent up to now is 109.7 secs Computing kpt #: 301 total cpu time spent up to now is 110.0 secs Computing kpt #: 302 total cpu time spent up to now is 110.4 secs Computing kpt #: 303 total cpu time spent up to now is 110.7 secs Computing kpt #: 304 total cpu time spent up to now is 111.1 secs Computing kpt #: 305 total cpu time spent up to now is 111.5 secs Computing kpt #: 306 total cpu time spent up to now is 111.8 secs Computing kpt #: 307 total cpu time spent up to now is 112.2 secs Computing kpt #: 308 total cpu time spent up to now is 112.5 secs Computing kpt #: 309 total cpu time spent up to now is 112.9 secs Computing kpt #: 310 total cpu time spent up to now is 113.2 secs Computing kpt #: 311 total cpu time spent up to now is 113.5 secs Computing kpt #: 312 total cpu time spent up to now is 113.9 secs Computing kpt #: 313 total cpu time spent up to now is 114.2 secs Computing kpt #: 314 total cpu time spent up to now is 114.6 secs Computing kpt #: 315 total cpu time spent up to now is 114.9 secs Computing kpt #: 316 total cpu time spent up to now is 115.2 secs Computing kpt #: 317 total cpu time spent up to now is 115.5 secs Computing kpt #: 318 total cpu time spent up to now is 115.9 secs Computing kpt #: 319 total cpu time spent up to now is 116.2 secs Computing kpt #: 320 total cpu time spent up to now is 116.5 secs Computing kpt #: 321 total cpu time spent up to now is 116.9 secs Computing kpt #: 322 total cpu time spent up to now is 117.2 secs Computing kpt #: 323 total cpu time spent up to now is 117.5 secs Computing kpt #: 324 total cpu time spent up to now is 117.8 secs Computing kpt #: 325 total cpu time spent up to now is 118.2 secs Computing kpt #: 326 total cpu time spent up to now is 118.5 secs Computing kpt #: 327 total cpu time spent up to now is 118.8 secs Computing kpt #: 328 total cpu time spent up to now is 119.1 secs Computing kpt #: 329 total cpu time spent up to now is 119.4 secs Computing kpt #: 330 total cpu time spent up to now is 119.7 secs Computing kpt #: 331 total cpu time spent up to now is 120.1 secs Computing kpt #: 332 total cpu time spent up to now is 120.4 secs Computing kpt #: 333 total cpu time spent up to now is 120.7 secs Computing kpt #: 334 total cpu time spent up to now is 121.0 secs Computing kpt #: 335 total cpu time spent up to now is 121.3 secs Computing kpt #: 336 total cpu time spent up to now is 121.6 secs Computing kpt #: 337 total cpu time spent up to now is 121.9 secs ethr = 2.94E-08, avg # of iterations = 17.4 total cpu time spent up to now is 121.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3989 -20.3989 -8.5424 -8.5424 -7.9774 -7.9774 -7.8756 -7.8756 -7.2872 -7.2872 -5.8720 -5.8720 -5.6585 -5.6585 -2.4455 -2.4455 -2.3415 -2.3415 0.1831 0.1831 1.0335 1.0335 1.4181 1.4181 1.6599 1.6599 1.7820 1.7820 1.7930 1.7930 4.3904 4.3904 k = 0.0115 0.0133-0.0015 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5047 -20.5047 -20.3990 -20.3990 -8.5416 -8.5416 -7.9862 -7.9862 -7.8669 -7.8669 -7.2886 -7.2886 -5.8706 -5.8706 -5.6583 -5.6583 -2.4454 -2.4454 -2.3415 -2.3415 0.1843 0.1843 1.0322 1.0322 1.4179 1.4179 1.6587 1.6587 1.7818 1.7818 1.7907 1.7907 4.3937 4.3937 k = 0.0230 0.0266-0.0030 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5044 -20.5044 -20.3993 -20.3993 -8.5395 -8.5395 -8.0071 -8.0071 -7.8466 -7.8466 -7.2929 -7.2929 -5.8667 -5.8667 -5.6576 -5.6576 -2.4452 -2.4452 -2.3418 -2.3418 0.1875 0.1875 1.0283 1.0283 1.4173 1.4173 1.6550 1.6550 1.7799 1.7799 1.7856 1.7856 4.4035 4.4035 k = 0.0346 0.0399-0.0045 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5040 -20.5040 -20.3998 -20.3998 -8.5359 -8.5359 -8.0333 -8.0333 -7.8215 -7.8215 -7.2999 -7.2999 -5.8601 -5.8601 -5.6566 -5.6566 -2.4447 -2.4447 -2.3421 -2.3421 0.1930 0.1930 1.0219 1.0219 1.4164 1.4164 1.6480 1.6480 1.7706 1.7706 1.7841 1.7841 4.4196 4.4196 k = 0.0461 0.0532-0.0061 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5033 -20.5033 -20.4005 -20.4005 -8.5309 -8.5309 -8.0618 -8.0618 -7.7946 -7.7946 -7.3094 -7.3094 -5.8512 -5.8512 -5.6552 -5.6552 -2.4441 -2.4441 -2.3427 -2.3427 0.2005 0.2005 1.0130 1.0130 1.4151 1.4151 1.6368 1.6368 1.7573 1.7573 1.7842 1.7842 4.4418 4.4418 k = 0.0576 0.0665-0.0076 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5024 -20.5024 -20.4013 -20.4013 -8.5244 -8.5244 -8.0914 -8.0914 -7.7673 -7.7673 -7.3212 -7.3212 -5.8399 -5.8399 -5.6534 -5.6534 -2.4433 -2.4433 -2.3433 -2.3433 0.2100 0.2100 1.0016 1.0016 1.4135 1.4135 1.6199 1.6199 1.7431 1.7431 1.7847 1.7847 4.4700 4.4700 k = 0.0691 0.0798-0.0091 ( 5933 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5014 -20.5014 -20.4023 -20.4023 -8.5166 -8.5166 -8.1216 -8.1216 -7.7402 -7.7402 -7.3347 -7.3347 -5.8266 -5.8266 -5.6512 -5.6512 -2.4423 -2.4423 -2.3441 -2.3441 0.2215 0.2215 0.9878 0.9878 1.4115 1.4115 1.5961 1.5961 1.7302 1.7302 1.7853 1.7853 4.5038 4.5038 k = 0.0806 0.0931-0.0106 ( 5929 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5001 -20.5001 -20.4035 -20.4035 -8.5075 -8.5075 -8.1521 -8.1521 -7.7139 -7.7139 -7.3496 -7.3496 -5.8115 -5.8115 -5.6487 -5.6487 -2.4411 -2.4411 -2.3451 -2.3451 0.2348 0.2348 0.9717 0.9717 1.4091 1.4091 1.5650 1.5650 1.7194 1.7194 1.7859 1.7859 4.5428 4.5428 k = 0.0921 0.1063-0.0121 ( 5920 PWs) bands (ev): -73.5723 -73.5723 -40.5178 -40.5178 -40.2389 -40.2389 -40.2187 -40.2187 -20.4987 -20.4987 -20.4049 -20.4049 -8.4970 -8.4970 -8.1827 -8.1827 -7.6890 -7.6890 -7.3650 -7.3650 -5.7947 -5.7947 -5.6457 -5.6457 -2.4398 -2.4398 -2.3461 -2.3461 0.2497 0.2497 0.9535 0.9535 1.4064 1.4064 1.5274 1.5274 1.7107 1.7107 1.7865 1.7865 4.5868 4.5868 k = 0.1037 0.1196-0.0136 ( 5922 PWs) bands (ev): -73.5723 -73.5723 -40.5178 -40.5178 -40.2389 -40.2389 -40.2187 -40.2187 -20.4972 -20.4972 -20.4064 -20.4064 -8.4853 -8.4853 -8.2133 -8.2133 -7.6664 -7.6664 -7.3800 -7.3800 -5.7765 -5.7765 -5.6425 -5.6425 -2.4383 -2.4383 -2.3473 -2.3473 0.2659 0.2659 0.9331 0.9331 1.4033 1.4033 1.4847 1.4847 1.7036 1.7036 1.7871 1.7871 4.6354 4.6354 k = 0.1152 0.1329-0.0152 ( 5926 PWs) bands (ev): -73.5723 -73.5723 -40.5178 -40.5178 -40.2389 -40.2389 -40.2187 -40.2187 -20.4955 -20.4955 -20.4081 -20.4081 -8.4724 -8.4724 -8.2439 -8.2439 -7.6473 -7.6473 -7.3931 -7.3931 -5.7572 -5.7572 -5.6389 -5.6389 -2.4367 -2.4367 -2.3486 -2.3486 0.2832 0.2832 0.9107 0.9107 1.3997 1.3997 1.4380 1.4380 1.6977 1.6977 1.7876 1.7876 4.6883 4.6883 k = 0.1267 0.1462-0.0167 ( 5933 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4936 -20.4936 -20.4099 -20.4099 -8.4584 -8.4584 -8.2744 -8.2744 -7.6334 -7.6334 -7.4026 -7.4026 -5.7370 -5.7370 -5.6350 -5.6350 -2.4349 -2.4349 -2.3501 -2.3501 0.3012 0.3012 0.8866 0.8866 1.3875 1.3875 1.3971 1.3971 1.6925 1.6925 1.7880 1.7880 4.7453 4.7453 k = 0.1382 0.1595-0.0182 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4916 -20.4916 -20.4118 -20.4118 -8.4432 -8.4432 -8.3047 -8.3047 -7.6264 -7.6264 -7.4063 -7.4063 -5.7160 -5.7160 -5.6308 -5.6308 -2.4330 -2.4330 -2.3516 -2.3516 0.3194 0.3194 0.8607 0.8607 1.3373 1.3373 1.3923 1.3923 1.6879 1.6879 1.7883 1.7883 4.8059 4.8059 k = 0.1497 0.1728-0.0197 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4895 -20.4895 -20.4139 -20.4139 -8.4271 -8.4271 -8.3348 -8.3348 -7.6277 -7.6277 -7.4029 -7.4029 -5.6945 -5.6945 -5.6263 -5.6263 -2.4309 -2.4309 -2.3532 -2.3532 0.3372 0.3372 0.8332 0.8332 1.2863 1.2863 1.3878 1.3878 1.6836 1.6836 1.7884 1.7884 4.8700 4.8700 k = 0.1612 0.1861-0.0212 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4872 -20.4872 -20.4161 -20.4161 -8.4099 -8.4099 -8.3645 -8.3645 -7.6368 -7.6368 -7.3925 -7.3925 -5.6726 -5.6726 -5.6215 -5.6215 -2.4287 -2.4287 -2.3549 -2.3549 0.3537 0.3537 0.8044 0.8044 1.2363 1.2363 1.3832 1.3832 1.6796 1.6796 1.7884 1.7884 4.9374 4.9374 k = 0.1728 0.1994-0.0227 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4848 -20.4848 -20.4183 -20.4183 -8.3942 -8.3942 -8.3917 -8.3917 -7.6523 -7.6523 -7.3764 -7.3764 -5.6506 -5.6506 -5.6166 -5.6166 -2.4264 -2.4264 -2.3566 -2.3566 0.3679 0.3679 0.7742 0.7742 1.1888 1.1888 1.3782 1.3782 1.6758 1.6758 1.7883 1.7883 5.0077 5.0077 k = 0.1843 0.2127-0.0243 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4824 -20.4824 -20.4207 -20.4207 -8.4230 -8.4230 -8.3731 -8.3731 -7.6723 -7.6723 -7.3564 -7.3564 -5.6285 -5.6285 -5.6114 -5.6114 -2.4240 -2.4240 -2.3585 -2.3585 0.3784 0.3784 0.7430 0.7430 1.1456 1.1456 1.3731 1.3731 1.6722 1.6722 1.7880 1.7880 5.0809 5.0809 k = 0.1958 0.2260-0.0258 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4798 -20.4798 -20.4231 -20.4231 -8.4517 -8.4517 -8.3536 -8.3536 -7.6952 -7.6952 -7.3339 -7.3339 -5.6067 -5.6067 -5.6058 -5.6058 -2.4215 -2.4215 -2.3604 -2.3604 0.3837 0.3837 0.7109 0.7109 1.1083 1.1083 1.3676 1.3676 1.6688 1.6688 1.7875 1.7875 5.1567 5.1567 k = 0.2073 0.2393-0.0273 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4772 -20.4772 -20.4256 -20.4256 -8.4798 -8.4798 -8.3335 -8.3335 -7.7200 -7.7200 -7.3098 -7.3098 -5.6004 -5.6004 -5.5848 -5.5848 -2.4189 -2.4189 -2.3623 -2.3623 0.3823 0.3823 0.6779 0.6779 1.0789 1.0789 1.3620 1.3620 1.6655 1.6655 1.7868 1.7868 5.2349 5.2349 k = 0.2188 0.2526-0.0288 ( 5953 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4746 -20.4746 -20.4282 -20.4282 -8.5074 -8.5074 -8.3129 -8.3129 -7.7460 -7.7460 -7.2848 -7.2848 -5.5948 -5.5948 -5.5634 -5.5634 -2.4162 -2.4162 -2.3643 -2.3643 0.3729 0.3729 0.6444 0.6444 1.0588 1.0588 1.3562 1.3562 1.6624 1.6624 1.7859 1.7859 5.3154 5.3154 k = 0.2303 0.2659-0.0303 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4719 -20.4719 -20.4307 -20.4307 -8.5344 -8.5344 -8.2919 -8.2919 -7.7726 -7.7726 -7.2593 -7.2593 -5.5890 -5.5890 -5.5424 -5.5424 -2.4135 -2.4135 -2.3662 -2.3662 0.3548 0.3548 0.6105 0.6105 1.0488 1.0488 1.3503 1.3503 1.6596 1.6596 1.7848 1.7848 5.3980 5.3980 k = 0.2419 0.2792-0.0318 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4691 -20.4691 -20.4333 -20.4333 -8.5608 -8.5608 -8.2705 -8.2705 -7.7994 -7.7994 -7.2336 -7.2336 -5.5832 -5.5832 -5.5219 -5.5219 -2.4107 -2.4107 -2.3682 -2.3682 0.3283 0.3283 0.5762 0.5762 1.0488 1.0488 1.3442 1.3442 1.6569 1.6569 1.7836 1.7836 5.4825 5.4825 k = 0.2534 0.2925-0.0334 ( 5945 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4664 -20.4664 -20.4359 -20.4359 -8.5865 -8.5865 -8.2489 -8.2489 -7.8261 -7.8261 -7.2079 -7.2079 -5.5773 -5.5773 -5.5020 -5.5020 -2.4079 -2.4079 -2.3702 -2.3702 0.2944 0.2944 0.5419 0.5419 1.0577 1.0577 1.3380 1.3380 1.6546 1.6546 1.7823 1.7823 5.5687 5.5687 k = 0.2649 0.3058-0.0349 ( 5941 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4636 -20.4636 -20.4385 -20.4385 -8.6115 -8.6115 -8.2273 -8.2273 -7.8525 -7.8525 -7.1824 -7.1824 -5.5714 -5.5714 -5.4828 -5.4828 -2.4051 -2.4051 -2.3722 -2.3722 0.2546 0.2546 0.5076 0.5076 1.0743 1.0743 1.3318 1.3318 1.6525 1.6525 1.7807 1.7807 5.6564 5.6564 k = 0.2764 0.3190-0.0364 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4609 -20.4609 -20.4411 -20.4411 -8.6357 -8.6357 -8.2056 -8.2056 -7.8785 -7.8785 -7.1572 -7.1572 -5.5655 -5.5655 -5.4643 -5.4643 -2.4022 -2.4022 -2.3741 -2.3741 0.2105 0.2105 0.4736 0.4736 1.0968 1.0968 1.3255 1.3255 1.6508 1.6508 1.7791 1.7791 5.7454 5.7454 k = 0.2879 0.3323-0.0379 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4582 -20.4582 -20.4436 -20.4436 -8.6591 -8.6591 -8.1841 -8.1841 -7.9038 -7.9038 -7.1325 -7.1325 -5.5596 -5.5596 -5.4465 -5.4465 -2.3994 -2.3994 -2.3761 -2.3761 0.1635 0.1635 0.4400 0.4400 1.1238 1.1238 1.3193 1.3193 1.6495 1.6495 1.7772 1.7772 5.8356 5.8356 k = 0.2994 0.3456-0.0394 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4555 -20.4555 -20.4461 -20.4461 -8.6815 -8.6815 -8.1628 -8.1628 -7.9283 -7.9283 -7.1084 -7.1084 -5.5539 -5.5539 -5.4295 -5.4295 -2.3966 -2.3966 -2.3780 -2.3780 0.1148 0.1148 0.4070 0.4070 1.1539 1.1539 1.3130 1.3130 1.6487 1.6487 1.7753 1.7753 5.9267 5.9267 k = 0.3110 0.3589-0.0409 ( 5932 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4529 -20.4529 -20.4485 -20.4485 -8.7031 -8.7031 -8.1418 -8.1418 -7.9520 -7.9520 -7.0849 -7.0849 -5.5482 -5.5482 -5.4133 -5.4133 -2.3938 -2.3938 -2.3798 -2.3798 0.0655 0.0655 0.3746 0.3746 1.1861 1.1861 1.3068 1.3068 1.6486 1.6486 1.7732 1.7732 6.0185 6.0185 k = 0.3225 0.3722-0.0424 ( 5934 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4509 -20.4509 -20.4504 -20.4504 -8.7236 -8.7236 -8.1214 -8.1214 -7.9748 -7.9748 -7.0621 -7.0621 -5.5427 -5.5427 -5.3979 -5.3979 -2.3911 -2.3911 -2.3816 -2.3816 0.0164 0.0164 0.3432 0.3432 1.2192 1.2192 1.3008 1.3008 1.6491 1.6491 1.7711 1.7711 6.1107 6.1107 k = 0.3340 0.3855-0.0440 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4532 -20.4532 -20.4479 -20.4479 -8.7432 -8.7432 -8.1015 -8.1015 -7.9965 -7.9965 -7.0403 -7.0403 -5.5373 -5.5373 -5.3834 -5.3834 -2.3884 -2.3884 -2.3833 -2.3833 -0.0320 -0.0320 0.3128 0.3128 1.2526 1.2526 1.2948 1.2948 1.6505 1.6505 1.7688 1.7688 6.2031 6.2031 k = 0.3455 0.3988-0.0455 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4554 -20.4554 -20.4456 -20.4456 -8.7616 -8.7616 -8.0824 -8.0824 -8.0170 -8.0170 -7.0193 -7.0193 -5.5322 -5.5322 -5.3698 -5.3698 -2.3859 -2.3859 -2.3849 -2.3849 -0.0789 -0.0789 0.2836 0.2836 1.2852 1.2852 1.2890 1.2890 1.6530 1.6530 1.7666 1.7666 6.2953 6.2953 k = 0.3570 0.4121-0.0470 ( 5946 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4574 -20.4574 -20.4433 -20.4433 -8.7790 -8.7790 -8.0642 -8.0642 -8.0363 -8.0363 -6.9993 -6.9993 -5.5273 -5.5273 -5.3571 -5.3571 -2.3864 -2.3864 -2.3834 -2.3834 -0.1241 -0.1241 0.2557 0.2557 1.2835 1.2835 1.3165 1.3165 1.6566 1.6566 1.7642 1.7642 6.3870 6.3870 k = 0.3685 0.4254-0.0485 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4594 -20.4594 -20.4412 -20.4412 -8.7952 -8.7952 -8.0554 -8.0554 -8.0457 -8.0457 -6.9805 -6.9805 -5.5226 -5.5226 -5.3452 -5.3452 -2.3878 -2.3878 -2.3810 -2.3810 -0.1671 -0.1671 0.2293 0.2293 1.2781 1.2781 1.3457 1.3457 1.6616 1.6616 1.7619 1.7619 6.4778 6.4778 k = 0.3801 0.4387-0.0500 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4612 -20.4612 -20.4392 -20.4392 -8.8102 -8.8102 -8.0717 -8.0717 -8.0299 -8.0299 -6.9628 -6.9628 -5.5182 -5.5182 -5.3343 -5.3343 -2.3892 -2.3892 -2.3787 -2.3787 -0.2076 -0.2076 0.2045 0.2045 1.2731 1.2731 1.3722 1.3722 1.6680 1.6680 1.7597 1.7597 6.5673 6.5673 k = 0.3916 0.4520-0.0515 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4629 -20.4629 -20.4373 -20.4373 -8.8239 -8.8239 -8.0872 -8.0872 -8.0147 -8.0147 -6.9463 -6.9463 -5.5141 -5.5141 -5.3243 -5.3243 -2.3904 -2.3904 -2.3766 -2.3766 -0.2453 -0.2453 0.1815 0.1815 1.2683 1.2683 1.3956 1.3956 1.6757 1.6757 1.7576 1.7576 6.6548 6.6548 k = 0.4031 0.4653-0.0531 ( 5947 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4645 -20.4645 -20.4356 -20.4356 -8.8364 -8.8364 -8.1013 -8.1013 -8.0006 -8.0006 -6.9312 -6.9312 -5.5103 -5.5103 -5.3151 -5.3151 -2.3915 -2.3915 -2.3746 -2.3746 -0.2801 -0.2801 0.1602 0.1602 1.2639 1.2639 1.4156 1.4156 1.6846 1.6846 1.7558 1.7558 6.7398 6.7398 k = 0.4146 0.4786-0.0546 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4658 -20.4658 -20.4341 -20.4341 -8.8476 -8.8476 -8.1140 -8.1140 -7.9879 -7.9879 -6.9174 -6.9174 -5.5068 -5.5068 -5.3069 -5.3069 -2.3924 -2.3924 -2.3728 -2.3728 -0.3117 -0.3117 0.1410 0.1410 1.2598 1.2598 1.4322 1.4322 1.6941 1.6941 1.7544 1.7544 6.7761 6.7761 k = 0.4261 0.4919-0.0561 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4671 -20.4671 -20.4327 -20.4327 -8.8575 -8.8575 -8.1253 -8.1253 -7.9766 -7.9766 -6.9051 -6.9051 -5.5038 -5.5038 -5.2996 -5.2996 -2.3933 -2.3933 -2.3711 -2.3711 -0.3400 -0.3400 0.1238 0.1238 1.2561 1.2561 1.4455 1.4455 1.7034 1.7034 1.7540 1.7540 6.7574 6.7574 k = 0.4376 0.5052-0.0576 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4681 -20.4681 -20.4316 -20.4316 -8.8660 -8.8660 -8.1351 -8.1351 -7.9667 -7.9667 -6.8943 -6.8943 -5.5011 -5.5011 -5.2932 -5.2932 -2.3940 -2.3940 -2.3696 -2.3696 -0.3647 -0.3647 0.1087 0.1087 1.2528 1.2528 1.4558 1.4558 1.7112 1.7112 1.7551 1.7551 6.7413 6.7413 k = 0.4376 0.5052-0.0576 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4681 -20.4681 -20.4316 -20.4316 -8.8660 -8.8660 -8.1351 -8.1351 -7.9667 -7.9667 -6.8943 -6.8943 -5.5011 -5.5011 -5.2932 -5.2932 -2.3940 -2.3940 -2.3696 -2.3696 -0.3647 -0.3647 0.1087 0.1087 1.2528 1.2528 1.4558 1.4558 1.7112 1.7112 1.7551 1.7551 6.7413 6.7413 k = 0.4394 0.5072-0.0398 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4680 -20.4680 -20.4312 -20.4312 -8.8642 -8.8642 -8.1299 -8.1299 -7.9656 -7.9656 -6.8955 -6.8955 -5.5005 -5.5005 -5.2976 -5.2976 -2.4025 -2.4025 -2.3768 -2.3768 -0.3554 -0.3554 0.1192 0.1192 1.2567 1.2567 1.4519 1.4519 1.6998 1.6998 1.7416 1.7416 6.7294 6.7294 k = 0.4412 0.5092-0.0221 ( 5956 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4678 -20.4678 -20.4308 -20.4308 -8.8615 -8.8615 -8.1232 -8.1232 -7.9644 -7.9644 -6.8967 -6.8967 -5.4999 -5.4999 -5.3029 -5.3029 -2.4134 -2.4134 -2.3861 -2.3861 -0.3436 -0.3436 0.1327 0.1327 1.2615 1.2615 1.4450 1.4450 1.6831 1.6831 1.7257 1.7257 6.7146 6.7146 k = 0.4429 0.5112-0.0043 ( 5958 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4674 -20.4674 -20.4303 -20.4303 -8.8581 -8.8581 -8.1150 -8.1150 -7.9632 -7.9632 -6.8980 -6.8980 -5.4990 -5.4990 -5.3091 -5.3091 -2.4266 -2.4266 -2.3974 -2.3974 -0.3294 -0.3294 0.1490 0.1490 1.2673 1.2673 1.4340 1.4340 1.6607 1.6607 1.7092 1.7092 6.6971 6.6971 k = 0.4447 0.5133 0.0134 ( 5957 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4670 -20.4670 -20.4297 -20.4297 -8.8539 -8.8539 -8.1053 -8.1053 -7.9620 -7.9620 -6.8994 -6.8994 -5.4979 -5.4979 -5.3163 -5.3163 -2.4419 -2.4419 -2.4105 -2.4105 -0.3129 -0.3129 0.1681 0.1681 1.2740 1.2740 1.4181 1.4181 1.6323 1.6323 1.6941 1.6941 6.6768 6.6768 k = 0.4464 0.5153 0.0312 ( 5961 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4665 -20.4665 -20.4290 -20.4290 -8.8489 -8.8489 -8.0942 -8.0942 -7.9607 -7.9607 -6.9008 -6.9008 -5.4968 -5.4968 -5.3244 -5.3244 -2.4592 -2.4592 -2.4254 -2.4254 -0.2942 -0.2942 0.1897 0.1897 1.2816 1.2816 1.3966 1.3966 1.5981 1.5981 1.6815 1.6815 6.6537 6.6537 k = 0.4482 0.5173 0.0489 ( 5962 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2188 -40.2188 -20.4659 -20.4659 -20.4283 -20.4283 -8.8433 -8.8433 -8.0817 -8.0817 -7.9593 -7.9593 -6.9023 -6.9023 -5.4954 -5.4954 -5.3334 -5.3334 -2.4783 -2.4783 -2.4419 -2.4419 -0.2735 -0.2735 0.2139 0.2139 1.2901 1.2901 1.3688 1.3688 1.5589 1.5589 1.6720 1.6720 6.6279 6.6279 k = 0.4499 0.5193 0.0667 ( 5960 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4653 -20.4653 -20.4275 -20.4275 -8.8369 -8.8369 -8.0678 -8.0678 -7.9579 -7.9579 -6.9039 -6.9039 -5.4939 -5.4939 -5.3435 -5.3435 -2.4991 -2.4991 -2.4598 -2.4598 -0.2509 -0.2509 0.2404 0.2404 1.2994 1.2994 1.3349 1.3349 1.5154 1.5154 1.6656 1.6656 6.5994 6.5994 k = 0.4517 0.5214 0.0844 ( 5960 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4645 -20.4645 -20.4267 -20.4267 -8.8298 -8.8298 -8.0525 -8.0525 -7.9565 -7.9565 -6.9056 -6.9056 -5.4922 -5.4922 -5.3545 -5.3545 -2.5214 -2.5214 -2.4790 -2.4790 -0.2265 -0.2265 0.2690 0.2690 1.2953 1.2953 1.3095 1.3095 1.4681 1.4681 1.6622 1.6622 6.5683 6.5683 k = 0.4534 0.5234 0.1022 ( 5960 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4637 -20.4637 -20.4258 -20.4258 -8.8221 -8.8221 -8.0358 -8.0358 -7.9550 -7.9550 -6.9074 -6.9074 -5.4904 -5.4904 -5.3664 -5.3664 -2.5450 -2.5450 -2.4993 -2.4993 -0.2005 -0.2005 0.2996 0.2996 1.2508 1.2508 1.3203 1.3203 1.4175 1.4175 1.6613 1.6613 6.5346 6.5346 k = 0.4552 0.5254 0.1200 ( 5959 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2190 -40.2190 -20.4628 -20.4628 -20.4248 -20.4248 -8.8138 -8.8138 -8.0178 -8.0178 -7.9535 -7.9535 -6.9092 -6.9092 -5.4885 -5.4885 -5.3794 -5.3794 -2.5697 -2.5697 -2.5206 -2.5206 -0.1730 -0.1730 0.3321 0.3321 1.2021 1.2021 1.3318 1.3318 1.3644 1.3644 1.6626 1.6626 6.4985 6.4985 k = 0.4569 0.5274 0.1377 ( 5955 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2190 -40.2190 -20.4619 -20.4619 -20.4238 -20.4238 -8.8049 -8.8049 -7.9986 -7.9986 -7.9519 -7.9519 -6.9112 -6.9112 -5.4865 -5.4865 -5.3933 -5.3933 -2.5953 -2.5953 -2.5427 -2.5427 -0.1442 -0.1442 0.3663 0.3663 1.1500 1.1500 1.3084 1.3084 1.3444 1.3444 1.6655 1.6655 6.4600 6.4600 k = 0.4587 0.5295 0.1555 ( 5961 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2191 -40.2191 -20.4609 -20.4609 -20.4227 -20.4227 -8.7955 -8.7955 -7.9781 -7.9781 -7.9503 -7.9503 -6.9132 -6.9132 -5.4843 -5.4843 -5.4081 -5.4081 -2.6218 -2.6218 -2.5655 -2.5655 -0.1142 -0.1142 0.4020 0.4020 1.0952 1.0952 1.2511 1.2511 1.3572 1.3572 1.6698 1.6698 6.4193 6.4193 k = 0.4605 0.5315 0.1732 ( 5961 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2391 -40.2391 -40.2191 -40.2191 -20.4599 -20.4599 -20.4216 -20.4216 -8.7855 -8.7855 -7.9570 -7.9570 -7.9481 -7.9481 -6.9154 -6.9154 -5.4821 -5.4821 -5.4240 -5.4240 -2.6489 -2.6489 -2.5888 -2.5888 -0.0832 -0.0832 0.4391 0.4391 1.0385 1.0385 1.1922 1.1922 1.3706 1.3706 1.6753 1.6753 6.3764 6.3764 k = 0.4622 0.5335 0.1910 ( 5965 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2192 -40.2192 -20.4588 -20.4588 -20.4205 -20.4205 -8.7751 -8.7751 -7.9479 -7.9479 -7.9327 -7.9327 -6.9176 -6.9176 -5.4797 -5.4797 -5.4407 -5.4407 -2.6765 -2.6765 -2.6125 -2.6125 -0.0514 -0.0514 0.4774 0.4774 0.9802 0.9802 1.1323 1.1323 1.3845 1.3845 1.6815 1.6815 6.3317 6.3317 k = 0.4640 0.5355 0.2087 ( 5967 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2192 -40.2192 -20.4577 -20.4577 -20.4194 -20.4194 -8.7643 -8.7643 -7.9461 -7.9461 -7.9090 -7.9090 -6.9200 -6.9200 -5.4773 -5.4773 -5.4584 -5.4584 -2.7044 -2.7044 -2.6363 -2.6363 -0.0188 -0.0188 0.5167 0.5167 0.9211 0.9211 1.0717 1.0717 1.3989 1.3989 1.6885 1.6885 6.2851 6.2851 k = 0.4657 0.5376 0.2265 ( 5968 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4565 -20.4565 -20.4182 -20.4182 -8.7532 -8.7532 -7.9444 -7.9444 -7.8839 -7.8839 -6.9226 -6.9226 -5.4770 -5.4770 -5.4748 -5.4748 -2.7324 -2.7324 -2.6603 -2.6603 0.0144 0.0144 0.5570 0.5570 0.8615 0.8615 1.0107 1.0107 1.4135 1.4135 1.6960 1.6960 6.2370 6.2370 k = 0.4675 0.5396 0.2443 ( 5960 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4553 -20.4553 -20.4170 -20.4170 -8.7417 -8.7417 -7.9428 -7.9428 -7.8579 -7.8579 -6.9252 -6.9252 -5.4965 -5.4965 -5.4723 -5.4723 -2.7603 -2.7603 -2.6842 -2.6842 0.0479 0.0479 0.5980 0.5980 0.8019 0.8019 0.9498 0.9498 1.4285 1.4285 1.7040 1.7040 6.1876 6.1876 k = 0.4692 0.5416 0.2620 ( 5959 PWs) bands (ev): -73.5723 -73.5723 -40.5183 -40.5183 -40.2392 -40.2392 -40.2194 -40.2194 -20.4541 -20.4541 -20.4158 -20.4158 -8.7300 -8.7300 -7.9412 -7.9412 -7.8308 -7.8308 -6.9280 -6.9280 -5.5168 -5.5168 -5.4698 -5.4698 -2.7882 -2.7882 -2.7080 -2.7080 0.0817 0.0817 0.6396 0.6396 0.7427 0.7427 0.8892 0.8892 1.4437 1.4437 1.7123 1.7123 6.1370 6.1370 k = 0.4710 0.5436 0.2798 ( 5954 PWs) bands (ev): -73.5723 -73.5723 -40.5183 -40.5183 -40.2392 -40.2392 -40.2194 -40.2194 -20.4529 -20.4529 -20.4146 -20.4146 -8.7181 -8.7181 -7.9397 -7.9397 -7.8030 -7.8030 -6.9310 -6.9310 -5.5379 -5.5379 -5.4672 -5.4672 -2.8158 -2.8158 -2.7315 -2.7315 0.1155 0.1155 0.6814 0.6814 0.6844 0.6844 0.8293 0.8293 1.4589 1.4589 1.7207 1.7207 6.0855 6.0855 k = 0.4727 0.5456 0.2975 ( 5947 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2392 -40.2392 -40.2195 -40.2195 -20.4517 -20.4517 -20.4133 -20.4133 -8.7060 -8.7060 -7.9381 -7.9381 -7.7743 -7.7743 -6.9341 -6.9341 -5.5598 -5.5598 -5.4646 -5.4646 -2.8429 -2.8429 -2.7546 -2.7546 0.1491 0.1491 0.6268 0.6268 0.7239 0.7239 0.7704 0.7704 1.4742 1.4742 1.7293 1.7293 6.0334 6.0334 k = 0.4745 0.5477 0.3153 ( 5941 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2392 -40.2392 -40.2195 -40.2195 -20.4505 -20.4505 -20.4121 -20.4121 -8.6939 -8.6939 -7.9366 -7.9366 -7.7449 -7.7449 -6.9373 -6.9373 -5.5823 -5.5823 -5.4620 -5.4620 -2.8696 -2.8696 -2.7772 -2.7772 0.1822 0.1822 0.5709 0.5709 0.7127 0.7127 0.7664 0.7664 1.4894 1.4894 1.7380 1.7380 5.9809 5.9809 k = 0.4762 0.5497 0.3330 ( 5941 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2195 -40.2195 -20.4493 -20.4493 -20.4109 -20.4109 -8.6817 -8.6817 -7.9352 -7.9352 -7.7149 -7.7149 -6.9407 -6.9407 -5.6055 -5.6055 -5.4594 -5.4594 -2.8956 -2.8956 -2.7993 -2.7993 0.2144 0.2144 0.5168 0.5168 0.6567 0.6567 0.8088 0.8088 1.5045 1.5045 1.7466 1.7466 5.9282 5.9282 k = 0.4780 0.5517 0.3508 ( 5941 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2393 -40.2393 -40.2196 -40.2196 -20.4481 -20.4481 -20.4098 -20.4098 -8.6697 -8.6697 -7.9337 -7.9337 -7.6845 -7.6845 -6.9443 -6.9443 -5.6292 -5.6292 -5.4569 -5.4569 -2.9209 -2.9209 -2.8207 -2.8207 0.2449 0.2449 0.4655 0.4655 0.6027 0.6027 0.8510 0.8510 1.5193 1.5193 1.7551 1.7551 5.8758 5.8758 k = 0.4798 0.5537 0.3686 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2393 -40.2393 -40.2196 -40.2196 -20.4469 -20.4469 -20.4086 -20.4086 -8.6577 -8.6577 -7.9324 -7.9324 -7.6536 -7.6536 -6.9481 -6.9481 -5.6533 -5.6533 -5.4544 -5.4544 -2.9454 -2.9454 -2.8413 -2.8413 0.2718 0.2718 0.4183 0.4183 0.5512 0.5512 0.8929 0.8929 1.5337 1.5337 1.7635 1.7635 5.8239 5.8239 k = 0.4815 0.5558 0.3863 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4458 -20.4458 -20.4075 -20.4075 -8.6459 -8.6459 -7.9311 -7.9311 -7.6224 -7.6224 -6.9521 -6.9521 -5.6776 -5.6776 -5.4520 -5.4520 -2.9690 -2.9690 -2.8612 -2.8612 0.2890 0.2890 0.3807 0.3807 0.5035 0.5035 0.9342 0.9342 1.5476 1.5476 1.7716 1.7716 5.7727 5.7727 k = 0.4833 0.5578 0.4041 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4447 -20.4447 -20.4065 -20.4065 -8.6344 -8.6344 -7.9298 -7.9298 -7.5912 -7.5912 -6.9562 -6.9562 -5.7022 -5.7022 -5.4496 -5.4496 -2.9915 -2.9915 -2.8801 -2.8801 0.2810 0.2810 0.3649 0.3649 0.4627 0.4627 0.9748 0.9748 1.5610 1.5610 1.7794 1.7794 5.7225 5.7225 k = 0.4850 0.5598 0.4218 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2198 -40.2198 -20.4436 -20.4436 -20.4054 -20.4054 -8.6232 -8.6232 -7.9286 -7.9286 -7.5599 -7.5599 -6.9606 -6.9606 -5.7268 -5.7268 -5.4473 -5.4473 -3.0130 -3.0130 -2.8981 -2.8981 0.2496 0.2496 0.3584 0.3584 0.4398 0.4398 1.0145 1.0145 1.5737 1.5737 1.7869 1.7869 5.6738 5.6738 k = 0.4868 0.5618 0.4396 ( 5938 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2394 -40.2394 -40.2198 -40.2198 -20.4426 -20.4426 -20.4044 -20.4044 -8.6123 -8.6123 -7.9275 -7.9275 -7.5288 -7.5288 -6.9652 -6.9652 -5.7512 -5.7512 -5.4452 -5.4452 -3.0332 -3.0332 -2.9150 -2.9150 0.2123 0.2123 0.3341 0.3341 0.4447 0.4447 1.0531 1.0531 1.5856 1.5856 1.7940 1.7940 5.6267 5.6267 k = 0.4885 0.5639 0.4573 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2198 -40.2198 -20.4416 -20.4416 -20.4035 -20.4035 -8.6020 -8.6020 -7.9265 -7.9265 -7.4980 -7.4980 -6.9701 -6.9701 -5.7753 -5.7753 -5.4431 -5.4431 -3.0523 -3.0523 -2.9308 -2.9308 0.1750 0.1750 0.2999 0.2999 0.4636 0.4636 1.0903 1.0903 1.5967 1.5967 1.8007 1.8007 5.5816 5.5816 k = 0.4903 0.5659 0.4751 ( 5924 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4407 -20.4407 -20.4026 -20.4026 -8.5921 -8.5921 -7.9256 -7.9256 -7.4678 -7.4678 -6.9752 -6.9752 -5.7989 -5.7989 -5.4412 -5.4412 -3.0700 -3.0700 -2.9456 -2.9456 0.1396 0.1396 0.2645 0.2645 0.4860 0.4860 1.1260 1.1260 1.6069 1.6069 1.8069 1.8069 5.5388 5.5388 k = 0.4920 0.5679 0.4928 ( 5917 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4398 -20.4398 -20.4018 -20.4018 -8.5829 -8.5829 -7.9247 -7.9247 -7.4383 -7.4383 -6.9806 -6.9806 -5.8217 -5.8217 -5.4394 -5.4394 -3.0864 -3.0864 -2.9592 -2.9592 0.1066 0.1066 0.2307 0.2307 0.5087 0.5087 1.1600 1.1600 1.6161 1.6161 1.8125 1.8125 5.4986 5.4986 k = 0.4938 0.5699 0.5106 ( 5911 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4390 -20.4390 -20.4011 -20.4011 -8.5742 -8.5742 -7.9240 -7.9240 -7.4097 -7.4097 -6.9862 -6.9862 -5.8435 -5.8435 -5.4377 -5.4377 -3.1013 -3.1013 -2.9716 -2.9716 0.0763 0.0763 0.1992 0.1992 0.5306 0.5306 1.1919 1.1919 1.6243 1.6243 1.8176 1.8176 5.4613 5.4613 k = 0.4955 0.5720 0.5284 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4383 -20.4383 -20.4004 -20.4004 -8.5663 -8.5663 -7.9233 -7.9233 -7.3824 -7.3824 -6.9920 -6.9920 -5.8641 -5.8641 -5.4362 -5.4362 -3.1148 -3.1148 -2.9827 -2.9827 0.0489 0.0489 0.1707 0.1707 0.5511 0.5511 1.2216 1.2216 1.6314 1.6314 1.8222 1.8222 5.4271 5.4271 k = 0.4973 0.5740 0.5461 ( 5913 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2200 -40.2200 -20.4377 -20.4377 -20.3998 -20.3998 -8.5592 -8.5592 -7.9227 -7.9227 -7.3566 -7.3566 -6.9981 -6.9981 -5.8831 -5.8831 -5.4349 -5.4349 -3.1267 -3.1267 -2.9926 -2.9926 0.0246 0.0246 0.1451 0.1451 0.5698 0.5698 1.2487 1.2487 1.6374 1.6374 1.8261 1.8261 5.3963 5.3963 k = 0.4990 0.5760 0.5639 ( 5908 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2200 -40.2200 -20.4371 -20.4371 -20.3993 -20.3993 -8.5529 -8.5529 -7.9223 -7.9223 -7.3327 -7.3327 -7.0044 -7.0044 -5.9004 -5.9004 -5.4337 -5.4337 -3.1371 -3.1371 -3.0011 -3.0011 0.0035 0.0035 0.1229 0.1229 0.5866 0.5866 1.2731 1.2731 1.6424 1.6424 1.8294 1.8294 5.3692 5.3692 k = 0.5008 0.5780 0.5816 ( 5913 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4366 -20.4366 -20.3989 -20.3989 -8.5474 -8.5474 -7.9219 -7.9219 -7.3109 -7.3109 -7.0106 -7.0106 -5.9156 -5.9156 -5.4328 -5.4328 -3.1460 -3.1460 -3.0084 -3.0084 -0.0145 -0.0145 0.1039 0.1039 0.6012 0.6012 1.2943 1.2943 1.6464 1.6464 1.8320 1.8320 5.3460 5.3460 k = 0.5026 0.5801 0.5994 ( 5909 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4362 -20.4362 -20.3985 -20.3985 -8.5428 -8.5428 -7.9217 -7.9217 -7.2917 -7.2917 -7.0168 -7.0168 -5.9284 -5.9284 -5.4320 -5.4320 -3.1532 -3.1532 -3.0143 -3.0143 -0.0292 -0.0292 0.0884 0.0884 0.6135 0.6135 1.3123 1.3123 1.6494 1.6494 1.8340 1.8340 5.3269 5.3269 k = 0.5043 0.5821 0.6171 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4359 -20.4359 -20.3983 -20.3983 -8.5392 -8.5392 -7.9216 -7.9216 -7.2757 -7.2757 -7.0225 -7.0225 -5.9388 -5.9388 -5.4314 -5.4314 -3.1588 -3.1588 -3.0189 -3.0189 -0.0406 -0.0406 0.0763 0.0763 0.6234 0.6234 1.3266 1.3266 1.6516 1.6516 1.8353 1.8353 5.3120 5.3120 k = 0.5061 0.5841 0.6349 ( 5915 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4356 -20.4356 -20.3981 -20.3981 -8.5365 -8.5365 -7.9216 -7.9216 -7.2633 -7.2633 -7.0274 -7.0274 -5.9463 -5.9463 -5.4310 -5.4310 -3.1628 -3.1628 -3.0221 -3.0221 -0.0487 -0.0487 0.0678 0.0678 0.6307 0.6307 1.3370 1.3370 1.6531 1.6531 1.8359 1.8359 5.3015 5.3015 k = 0.5078 0.5861 0.6527 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4355 -20.4355 -20.3980 -20.3980 -8.5348 -8.5348 -7.9216 -7.9216 -7.2551 -7.2551 -7.0312 -7.0312 -5.9510 -5.9510 -5.4308 -5.4308 -3.1651 -3.1651 -3.0239 -3.0239 -0.0534 -0.0534 0.0628 0.0628 0.6356 0.6356 1.3435 1.3435 1.6540 1.6540 1.8359 1.8359 5.2955 5.2955 k = 0.5096 0.5882 0.6704 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4354 -20.4354 -20.3980 -20.3980 -8.5341 -8.5341 -7.9219 -7.9219 -7.2515 -7.2515 -7.0335 -7.0335 -5.9527 -5.9527 -5.4309 -5.4309 -3.1657 -3.1657 -3.0244 -3.0244 -0.0547 -0.0547 0.0614 0.0614 0.6378 0.6378 1.3457 1.3457 1.6542 1.6542 1.8352 1.8352 5.2940 5.2940 k = 0.5096 0.5882 0.6704 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4354 -20.4354 -20.3980 -20.3980 -8.5341 -8.5341 -7.9219 -7.9219 -7.2515 -7.2515 -7.0335 -7.0335 -5.9527 -5.9527 -5.4309 -5.4309 -3.1657 -3.1657 -3.0244 -3.0244 -0.0547 -0.0547 0.0614 0.0614 0.6378 0.6378 1.3457 1.3457 1.6542 1.6542 1.8352 1.8352 5.2940 5.2940 k = 0.4993 0.5763 0.6786 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4355 -20.4355 -20.3979 -20.3979 -8.5347 -8.5347 -7.9214 -7.9214 -7.2520 -7.2520 -7.0332 -7.0332 -5.9525 -5.9525 -5.4308 -5.4308 -3.1658 -3.1658 -3.0246 -3.0246 -0.0541 -0.0541 0.0623 0.0623 0.6372 0.6372 1.3454 1.3454 1.6543 1.6543 1.8362 1.8362 5.2928 5.2928 k = 0.4890 0.5645 0.6869 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4354 -20.4354 -20.3980 -20.3980 -8.5344 -8.5344 -7.9220 -7.9220 -7.2551 -7.2551 -7.0310 -7.0310 -5.9511 -5.9511 -5.4309 -5.4309 -3.1650 -3.1650 -3.0238 -3.0238 -0.0539 -0.0539 0.0620 0.0620 0.6358 0.6358 1.3436 1.3436 1.6539 1.6539 1.8354 1.8354 5.2962 5.2962 k = 0.4787 0.5526 0.6951 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4353 -20.4353 -20.3983 -20.3983 -8.5333 -8.5333 -7.9236 -7.9236 -7.2606 -7.2606 -7.0270 -7.0270 -5.9487 -5.9487 -5.4311 -5.4311 -3.1636 -3.1636 -3.0221 -3.0221 -0.0543 -0.0543 0.0606 0.0606 0.6338 0.6338 1.3402 1.3402 1.6530 1.6530 1.8328 1.8328 5.3043 5.3043 k = 0.4685 0.5407 0.7033 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4350 -20.4350 -20.3986 -20.3986 -8.5313 -8.5313 -7.9264 -7.9264 -7.2681 -7.2681 -7.0215 -7.0215 -5.9451 -5.9451 -5.4316 -5.4316 -3.1613 -3.1613 -3.0194 -3.0194 -0.0551 -0.0551 0.0579 0.0579 0.6313 0.6313 1.3354 1.3354 1.6517 1.6517 1.8283 1.8283 5.3170 5.3170 k = 0.4582 0.5289 0.7116 ( 5910 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4346 -20.4346 -20.3992 -20.3992 -8.5285 -8.5285 -7.9303 -7.9303 -7.2773 -7.2773 -7.0150 -7.0150 -5.9405 -5.9405 -5.4323 -5.4323 -3.1583 -3.1583 -3.0158 -3.0158 -0.0566 -0.0566 0.0541 0.0541 0.6284 0.6284 1.3292 1.3292 1.6498 1.6498 1.8218 1.8218 5.3343 5.3343 k = 0.4479 0.5170 0.7198 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4340 -20.4340 -20.3998 -20.3998 -8.5248 -8.5248 -7.9352 -7.9352 -7.2878 -7.2878 -7.0078 -7.0078 -5.9348 -5.9348 -5.4331 -5.4331 -3.1545 -3.1545 -3.0112 -3.0112 -0.0588 -0.0588 0.0492 0.0492 0.6255 0.6255 1.3217 1.3217 1.6473 1.6473 1.8135 1.8135 5.3561 5.3561 k = 0.4376 0.5052 0.7280 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4334 -20.4334 -20.4007 -20.4007 -8.5204 -8.5204 -7.9412 -7.9412 -7.2992 -7.2992 -7.0003 -7.0003 -5.9280 -5.9280 -5.4341 -5.4341 -3.1500 -3.1500 -3.0058 -3.0058 -0.0620 -0.0620 0.0434 0.0434 0.6226 0.6226 1.3129 1.3129 1.6443 1.6443 1.8032 1.8032 5.3824 5.3824 k = 0.4274 0.4933 0.7362 ( 5909 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4326 -20.4326 -20.4016 -20.4016 -8.5151 -8.5151 -7.9481 -7.9481 -7.3112 -7.3112 -6.9927 -6.9927 -5.9203 -5.9203 -5.4353 -5.4353 -3.1447 -3.1447 -2.9996 -2.9996 -0.0662 -0.0662 0.0367 0.0367 0.6201 0.6201 1.3030 1.3030 1.6408 1.6408 1.7909 1.7909 5.4131 5.4131 k = 0.4171 0.4814 0.7445 ( 5908 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4317 -20.4317 -20.4027 -20.4027 -8.5091 -8.5091 -7.9561 -7.9561 -7.3235 -7.3235 -6.9853 -6.9853 -5.9116 -5.9116 -5.4367 -5.4367 -3.1386 -3.1386 -2.9926 -2.9926 -0.0719 -0.0719 0.0296 0.0296 0.6182 0.6182 1.2921 1.2921 1.6366 1.6366 1.7766 1.7766 5.4482 5.4482 k = 0.4068 0.4696 0.7527 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4308 -20.4308 -20.4039 -20.4039 -8.5023 -8.5023 -7.9650 -7.9650 -7.3360 -7.3360 -6.9783 -6.9783 -5.9020 -5.9020 -5.4383 -5.4383 -3.1319 -3.1319 -2.9848 -2.9848 -0.0795 -0.0795 0.0225 0.0225 0.6171 0.6171 1.2803 1.2803 1.6318 1.6318 1.7605 1.7605 5.4874 5.4874 k = 0.3965 0.4577 0.7609 ( 5929 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4297 -20.4297 -20.4053 -20.4053 -8.4949 -8.4949 -7.9749 -7.9749 -7.3483 -7.3483 -6.9719 -6.9719 -5.8915 -5.8915 -5.4400 -5.4400 -3.1245 -3.1245 -2.9764 -2.9764 -0.0892 -0.0892 0.0156 0.0156 0.6170 0.6170 1.2678 1.2678 1.6265 1.6265 1.7424 1.7424 5.5308 5.5308 k = 0.3863 0.4459 0.7692 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4285 -20.4285 -20.4067 -20.4067 -8.4868 -8.4868 -7.9856 -7.9856 -7.3605 -7.3605 -6.9660 -6.9660 -5.8802 -5.8802 -5.4419 -5.4419 -3.1164 -3.1164 -2.9674 -2.9674 -0.1012 -0.1012 0.0096 0.0096 0.6178 0.6178 1.2545 1.2545 1.6206 1.6206 1.7226 1.7226 5.5781 5.5781 k = 0.3760 0.4340 0.7774 ( 5929 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4272 -20.4272 -20.4083 -20.4083 -8.4780 -8.4780 -7.9971 -7.9971 -7.3723 -7.3723 -6.9610 -6.9610 -5.8681 -5.8681 -5.4440 -5.4440 -3.1076 -3.1076 -2.9578 -2.9578 -0.1157 -0.1157 0.0044 0.0044 0.6198 0.6198 1.2408 1.2408 1.6141 1.6141 1.7012 1.7012 5.6293 5.6293 k = 0.3657 0.4221 0.7856 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4259 -20.4259 -20.4100 -20.4100 -8.4686 -8.4686 -8.0094 -8.0094 -7.3836 -7.3836 -6.9567 -6.9567 -5.8554 -5.8554 -5.4462 -5.4462 -3.0981 -3.0981 -2.9477 -2.9477 -0.1326 -0.1326 0.0003 0.0003 0.6227 0.6227 1.2265 1.2265 1.6071 1.6071 1.6784 1.6784 5.6843 5.6843 k = 0.3657 0.4221 0.7856 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4259 -20.4259 -20.4100 -20.4100 -8.4686 -8.4686 -8.0094 -8.0094 -7.3836 -7.3836 -6.9567 -6.9567 -5.8554 -5.8554 -5.4462 -5.4462 -3.0981 -3.0981 -2.9477 -2.9477 -0.1326 -0.1326 0.0003 0.0003 0.6227 0.6227 1.2265 1.2265 1.6071 1.6071 1.6784 1.6784 5.6843 5.6843 k = 0.3539 0.4085 0.7856 ( 5938 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4239 -20.4239 -20.4119 -20.4119 -8.4533 -8.4533 -8.0247 -8.0247 -7.3851 -7.3851 -6.9561 -6.9561 -5.8504 -5.8504 -5.4488 -5.4488 -3.0912 -3.0912 -2.9390 -2.9390 -0.1607 -0.1607 -0.0107 -0.0107 0.6351 0.6351 1.2217 1.2217 1.6016 1.6016 1.6512 1.6512 5.7400 5.7400 k = 0.3421 0.3949 0.7856 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4219 -20.4219 -20.4139 -20.4139 -8.4371 -8.4371 -8.0409 -8.0409 -7.3864 -7.3864 -6.9558 -6.9558 -5.8450 -5.8450 -5.4516 -5.4516 -3.0836 -3.0836 -2.9300 -2.9300 -0.1906 -0.1906 -0.0212 -0.0212 0.6475 0.6475 1.2166 1.2166 1.5958 1.5958 1.6236 1.6236 5.7999 5.7999 k = 0.3303 0.3813 0.7856 ( 5927 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4198 -20.4198 -20.4160 -20.4160 -8.4200 -8.4200 -8.0578 -8.0578 -7.3876 -7.3876 -6.9557 -6.9557 -5.8393 -5.8393 -5.4546 -5.4546 -3.0756 -3.0756 -2.9206 -2.9206 -0.2221 -0.2221 -0.0313 -0.0313 0.6594 0.6594 1.2112 1.2112 1.5896 1.5896 1.5965 1.5965 5.8641 5.8641 k = 0.3185 0.3677 0.7856 ( 5921 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4182 -20.4182 -20.4175 -20.4175 -8.4021 -8.4021 -8.0754 -8.0754 -7.3885 -7.3885 -6.9559 -6.9559 -5.8333 -5.8333 -5.4577 -5.4577 -3.0672 -3.0672 -2.9111 -2.9111 -0.2547 -0.2547 -0.0412 -0.0412 0.6701 0.6701 1.2055 1.2055 1.5702 1.5702 1.5834 1.5834 5.9323 5.9323 k = 0.3067 0.3540 0.7856 ( 5925 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4206 -20.4206 -20.4152 -20.4152 -8.3836 -8.3836 -8.0935 -8.0935 -7.3893 -7.3893 -6.9563 -6.9563 -5.8271 -5.8271 -5.4610 -5.4610 -3.0583 -3.0583 -2.9014 -2.9014 -0.2881 -0.2881 -0.0510 -0.0510 0.6790 0.6790 1.1996 1.1996 1.5460 1.5460 1.5767 1.5767 6.0043 6.0043 k = 0.2949 0.3404 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4229 -20.4229 -20.4129 -20.4129 -8.3645 -8.3645 -8.1121 -8.1121 -7.3899 -7.3899 -6.9568 -6.9568 -5.8205 -5.8205 -5.4644 -5.4644 -3.0491 -3.0491 -2.8916 -2.8916 -0.3220 -0.3220 -0.0606 -0.0606 0.6854 0.6854 1.1933 1.1933 1.5246 1.5246 1.5698 1.5698 6.0800 6.0800 k = 0.2831 0.3268 0.7856 ( 5918 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4253 -20.4253 -20.4105 -20.4105 -8.3450 -8.3450 -8.1311 -8.1311 -7.3904 -7.3904 -6.9574 -6.9574 -5.8138 -5.8138 -5.4679 -5.4679 -3.0396 -3.0396 -2.8819 -2.8819 -0.3561 -0.3561 -0.0703 -0.0703 0.6886 0.6886 1.1869 1.1869 1.5068 1.5068 1.5627 1.5627 6.1592 6.1592 k = 0.2713 0.3132 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4278 -20.4278 -20.4080 -20.4080 -8.3252 -8.3252 -8.1503 -8.1503 -7.3908 -7.3908 -6.9581 -6.9581 -5.8068 -5.8068 -5.4714 -5.4714 -3.0297 -3.0297 -2.8722 -2.8722 -0.3902 -0.3902 -0.0799 -0.0799 0.6880 0.6880 1.1802 1.1802 1.4933 1.4933 1.5555 1.5555 6.2417 6.2417 k = 0.2595 0.2996 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4303 -20.4303 -20.4055 -20.4055 -8.3051 -8.3051 -8.1696 -8.1696 -7.3910 -7.3910 -6.9587 -6.9587 -5.7997 -5.7997 -5.4750 -5.4750 -3.0197 -3.0197 -2.8627 -2.8627 -0.4242 -0.4242 -0.0895 -0.0895 0.6833 0.6833 1.1733 1.1733 1.4846 1.4846 1.5482 1.5482 6.3272 6.3272 k = 0.2477 0.2860 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4328 -20.4328 -20.4030 -20.4030 -8.2850 -8.2850 -8.1889 -8.1889 -7.3910 -7.3910 -6.9594 -6.9594 -5.7924 -5.7924 -5.4787 -5.4787 -3.0096 -3.0096 -2.8533 -2.8533 -0.4578 -0.4578 -0.0991 -0.0991 0.6741 0.6741 1.1662 1.1662 1.4812 1.4812 1.5408 1.5408 6.4155 6.4155 k = 0.2360 0.2723 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4353 -20.4353 -20.4005 -20.4005 -8.2650 -8.2650 -8.2082 -8.2082 -7.3908 -7.3908 -6.9601 -6.9601 -5.7851 -5.7851 -5.4823 -5.4823 -2.9993 -2.9993 -2.8442 -2.8442 -0.4908 -0.4908 -0.1086 -0.1086 0.6605 0.6605 1.1590 1.1590 1.4830 1.4830 1.5334 1.5334 6.5064 6.5064 k = 0.2242 0.2587 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4378 -20.4378 -20.3980 -20.3980 -8.2451 -8.2451 -8.2273 -8.2273 -7.3905 -7.3905 -6.9608 -6.9608 -5.7777 -5.7777 -5.4859 -5.4859 -2.9890 -2.9890 -2.8354 -2.8354 -0.5231 -0.5231 -0.1181 -0.1181 0.6429 0.6429 1.1517 1.1517 1.4898 1.4898 1.5261 1.5261 6.5995 6.5995 k = 0.2124 0.2451 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4402 -20.4402 -20.3956 -20.3956 -8.2460 -8.2460 -8.2255 -8.2255 -7.3899 -7.3899 -6.9615 -6.9615 -5.7703 -5.7703 -5.4894 -5.4894 -2.9787 -2.9787 -2.8269 -2.8269 -0.5545 -0.5545 -0.1276 -0.1276 0.6218 0.6218 1.1444 1.1444 1.5010 1.5010 1.5190 1.5190 6.6946 6.6946 k = 0.2006 0.2315 0.7856 ( 5911 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4426 -20.4426 -20.3931 -20.3931 -8.2644 -8.2644 -8.2063 -8.2063 -7.3891 -7.3891 -6.9621 -6.9621 -5.7629 -5.7629 -5.4930 -5.4930 -2.9685 -2.9685 -2.8188 -2.8188 -0.5850 -0.5850 -0.1369 -0.1369 0.5978 0.5978 1.1370 1.1370 1.5107 1.5107 1.5174 1.5174 6.7912 6.7912 k = 0.1888 0.2179 0.7856 ( 5911 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4450 -20.4450 -20.3908 -20.3908 -8.2822 -8.2822 -8.1877 -8.1877 -7.3881 -7.3881 -6.9628 -6.9628 -5.7557 -5.7557 -5.4964 -5.4964 -2.9585 -2.9585 -2.8110 -2.8110 -0.6143 -0.6143 -0.1460 -0.1460 0.5716 0.5716 1.1297 1.1297 1.5044 1.5044 1.5351 1.5351 6.8891 6.8891 k = 0.1770 0.2043 0.7856 ( 5905 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4473 -20.4473 -20.3885 -20.3885 -8.2995 -8.2995 -8.1697 -8.1697 -7.3868 -7.3868 -6.9634 -6.9634 -5.7486 -5.7486 -5.4997 -5.4997 -2.9487 -2.9487 -2.8037 -2.8037 -0.6424 -0.6424 -0.1551 -0.1551 0.5440 0.5440 1.1225 1.1225 1.4977 1.4977 1.5560 1.5560 6.9616 6.9616 k = 0.1652 0.1906 0.7856 ( 5907 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4495 -20.4495 -20.3863 -20.3863 -8.3161 -8.3161 -8.1525 -8.1525 -7.3852 -7.3852 -6.9641 -6.9641 -5.7416 -5.7416 -5.5029 -5.5029 -2.9391 -2.9391 -2.7968 -2.7968 -0.6691 -0.6691 -0.1638 -0.1638 0.5157 0.5157 1.1154 1.1154 1.4912 1.4912 1.5787 1.5787 6.9314 6.9314 k = 0.1534 0.1770 0.7856 ( 5905 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4516 -20.4516 -20.3841 -20.3841 -8.3319 -8.3319 -8.1362 -8.1362 -7.3833 -7.3833 -6.9647 -6.9647 -5.7349 -5.7349 -5.5060 -5.5060 -2.9299 -2.9299 -2.7903 -2.7903 -0.6944 -0.6944 -0.1724 -0.1724 0.4871 0.4871 1.1085 1.1085 1.4849 1.4849 1.6026 1.6026 6.9012 6.9012 k = 0.1416 0.1634 0.7856 ( 5903 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4536 -20.4536 -20.3821 -20.3821 -8.3469 -8.3469 -8.1208 -8.1208 -7.3812 -7.3812 -6.9654 -6.9654 -5.7285 -5.7285 -5.5090 -5.5090 -2.9211 -2.9211 -2.7842 -2.7842 -0.7181 -0.7181 -0.1806 -0.1806 0.4589 0.4589 1.1018 1.1018 1.4789 1.4789 1.6270 1.6270 6.8714 6.8714 k = 0.1298 0.1498 0.7856 ( 5910 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4554 -20.4554 -20.3802 -20.3802 -8.3610 -8.3610 -8.1066 -8.1066 -7.3789 -7.3789 -6.9661 -6.9661 -5.7224 -5.7224 -5.5117 -5.5117 -2.9127 -2.9127 -2.7787 -2.7787 -0.7402 -0.7402 -0.1885 -0.1885 0.4315 0.4315 1.0955 1.0955 1.4733 1.4733 1.6514 1.6514 6.8426 6.8426 k = 0.1180 0.1362 0.7856 ( 5907 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4572 -20.4572 -20.3784 -20.3784 -8.3740 -8.3740 -8.0934 -8.0934 -7.3763 -7.3763 -6.9668 -6.9668 -5.7167 -5.7167 -5.5143 -5.5143 -2.9049 -2.9049 -2.7736 -2.7736 -0.7606 -0.7606 -0.1959 -0.1959 0.4054 0.4054 1.0894 1.0894 1.4681 1.4681 1.6754 1.6754 6.8152 6.8152 k = 0.1062 0.1226 0.7856 ( 5901 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4588 -20.4588 -20.3768 -20.3768 -8.3861 -8.3861 -8.0814 -8.0814 -7.3737 -7.3737 -6.9675 -6.9675 -5.7114 -5.7114 -5.5167 -5.5167 -2.8976 -2.8976 -2.7690 -2.7690 -0.7792 -0.7792 -0.2029 -0.2029 0.3809 0.3809 1.0838 1.0838 1.4633 1.4633 1.6984 1.6984 6.7895 6.7895 k = 0.0944 0.1089 0.7856 ( 5899 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4603 -20.4603 -20.3753 -20.3753 -8.3970 -8.3970 -8.0706 -8.0706 -7.3710 -7.3710 -6.9683 -6.9683 -5.7065 -5.7065 -5.5188 -5.5188 -2.8909 -2.8909 -2.7649 -2.7649 -0.7961 -0.7961 -0.2094 -0.2094 0.3583 0.3583 1.0787 1.0787 1.4589 1.4589 1.7201 1.7201 6.7658 6.7658 k = 0.0826 0.0953 0.7856 ( 5907 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4616 -20.4616 -20.3740 -20.3740 -8.4068 -8.4068 -8.0611 -8.0611 -7.3684 -7.3684 -6.9690 -6.9690 -5.7022 -5.7022 -5.5208 -5.5208 -2.8849 -2.8849 -2.7613 -2.7613 -0.8110 -0.8110 -0.2153 -0.2153 0.3378 0.3378 1.0740 1.0740 1.4550 1.4550 1.7401 1.7401 6.7443 6.7443 k = 0.0708 0.0817 0.7856 ( 5913 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4627 -20.4627 -20.3728 -20.3728 -8.4154 -8.4154 -8.0528 -8.0528 -7.3658 -7.3658 -6.9697 -6.9697 -5.6983 -5.6983 -5.5225 -5.5225 -2.8796 -2.8796 -2.7581 -2.7581 -0.8240 -0.8240 -0.2205 -0.2205 0.3196 0.3196 1.0698 1.0698 1.4515 1.4515 1.7580 1.7580 6.7253 6.7253 k = 0.0590 0.0681 0.7856 ( 5911 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4637 -20.4637 -20.3718 -20.3718 -8.4227 -8.4227 -8.0458 -8.0458 -7.3635 -7.3635 -6.9704 -6.9704 -5.6950 -5.6950 -5.5239 -5.5239 -2.8751 -2.8751 -2.7555 -2.7555 -0.8351 -0.8351 -0.2251 -0.2251 0.3040 0.3040 1.0663 1.0663 1.4486 1.4486 1.7737 1.7737 6.7090 6.7090 k = 0.0472 0.0545 0.7856 ( 5917 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4645 -20.4645 -20.3710 -20.3710 -8.4287 -8.4287 -8.0401 -8.0401 -7.3614 -7.3614 -6.9709 -6.9709 -5.6922 -5.6922 -5.5251 -5.5251 -2.8713 -2.8713 -2.7533 -2.7533 -0.8442 -0.8442 -0.2289 -0.2289 0.2911 0.2911 1.0633 1.0633 1.4461 1.4461 1.7869 1.7869 6.6954 6.6954 k = 0.0354 0.0409 0.7856 ( 5907 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4652 -20.4652 -20.3703 -20.3703 -8.4334 -8.4334 -8.0356 -8.0356 -7.3597 -7.3597 -6.9714 -6.9714 -5.6901 -5.6901 -5.5261 -5.5261 -2.8684 -2.8684 -2.7516 -2.7516 -0.8513 -0.8513 -0.2319 -0.2319 0.2809 0.2809 1.0610 1.0610 1.4442 1.4442 1.7973 1.7973 6.6847 6.6847 k = 0.0236 0.0272 0.7856 ( 5911 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4656 -20.4656 -20.3699 -20.3699 -8.4368 -8.4368 -8.0324 -8.0324 -7.3584 -7.3584 -6.9718 -6.9718 -5.6885 -5.6885 -5.5267 -5.5267 -2.8663 -2.8663 -2.7504 -2.7504 -0.8564 -0.8564 -0.2341 -0.2341 0.2736 0.2736 1.0593 1.0593 1.4429 1.4429 1.8049 1.8049 6.6770 6.6770 k = 0.0118 0.0136 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4659 -20.4659 -20.3696 -20.3696 -8.4388 -8.4388 -8.0305 -8.0305 -7.3577 -7.3577 -6.9720 -6.9720 -5.6876 -5.6876 -5.5272 -5.5272 -2.8650 -2.8650 -2.7497 -2.7497 -0.8595 -0.8595 -0.2354 -0.2354 0.2692 0.2692 1.0583 1.0583 1.4421 1.4421 1.8095 1.8095 6.6724 6.6724 k = 0.0000 0.0000 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4660 -20.4660 -20.3695 -20.3695 -8.4395 -8.4395 -8.0299 -8.0299 -7.3574 -7.3574 -6.9721 -6.9721 -5.6873 -5.6873 -5.5273 -5.5273 -2.8645 -2.8645 -2.7494 -2.7494 -0.8605 -0.8605 -0.2358 -0.2358 0.2677 0.2677 1.0579 1.0579 1.4418 1.4418 1.8110 1.8110 6.6708 6.6708 k = 0.0000 0.0000 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4660 -20.4660 -20.3695 -20.3695 -8.4395 -8.4395 -8.0299 -8.0299 -7.3574 -7.3574 -6.9721 -6.9721 -5.6873 -5.6873 -5.5273 -5.5273 -2.8645 -2.8645 -2.7494 -2.7494 -0.8605 -0.8605 -0.2358 -0.2358 0.2677 0.2677 1.0579 1.0579 1.4418 1.4418 1.8110 1.8110 6.6708 6.6708 k = 0.0135-0.0117 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4660 -20.4660 -20.3695 -20.3695 -8.4397 -8.4397 -8.0297 -8.0297 -7.3572 -7.3572 -6.9721 -6.9721 -5.6879 -5.6879 -5.5271 -5.5271 -2.8650 -2.8650 -2.7500 -2.7500 -0.8592 -0.8592 -0.2353 -0.2353 0.2684 0.2684 1.0590 1.0590 1.4416 1.4416 1.8111 1.8111 6.6679 6.6679 k = 0.0270-0.0234 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4658 -20.4658 -20.3697 -20.3697 -8.4403 -8.4403 -8.0290 -8.0290 -7.3567 -7.3567 -6.9723 -6.9723 -5.6898 -5.6898 -5.5265 -5.5265 -2.8664 -2.8664 -2.7517 -2.7517 -0.8552 -0.8552 -0.2338 -0.2338 0.2704 0.2704 1.0622 1.0622 1.4410 1.4410 1.8113 1.8113 6.6590 6.6590 k = 0.0405-0.0351 0.7856 ( 5922 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4656 -20.4656 -20.3699 -20.3699 -8.4414 -8.4414 -8.0278 -8.0278 -7.3559 -7.3559 -6.9726 -6.9726 -5.6929 -5.6929 -5.5255 -5.5255 -2.8688 -2.8688 -2.7546 -2.7546 -0.8487 -0.8487 -0.2313 -0.2313 0.2738 0.2738 1.0676 1.0676 1.4400 1.4400 1.8116 1.8116 6.6443 6.6443 k = 0.0541-0.0468 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4652 -20.4652 -20.3702 -20.3702 -8.4428 -8.4428 -8.0261 -8.0261 -7.3548 -7.3548 -6.9730 -6.9730 -5.6972 -5.6972 -5.5242 -5.5242 -2.8721 -2.8721 -2.7586 -2.7586 -0.8396 -0.8396 -0.2278 -0.2278 0.2786 0.2786 1.0750 1.0750 1.4386 1.4386 1.8121 1.8121 6.6239 6.6239 k = 0.0676-0.0585 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4648 -20.4648 -20.3706 -20.3706 -8.4445 -8.4445 -8.0241 -8.0241 -7.3534 -7.3534 -6.9735 -6.9735 -5.7026 -5.7026 -5.5225 -5.5225 -2.8763 -2.8763 -2.7637 -2.7637 -0.8280 -0.8280 -0.2233 -0.2233 0.2846 0.2846 1.0845 1.0845 1.4369 1.4369 1.8127 1.8127 6.5982 6.5982 k = 0.0811-0.0702 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4643 -20.4643 -20.3711 -20.3711 -8.4467 -8.4467 -8.0216 -8.0216 -7.3516 -7.3516 -6.9742 -6.9742 -5.7089 -5.7089 -5.5206 -5.5206 -2.8814 -2.8814 -2.7698 -2.7698 -0.8139 -0.8139 -0.2179 -0.2179 0.2919 0.2919 1.0960 1.0960 1.4349 1.4349 1.8134 1.8134 6.5674 6.5674 k = 0.0946-0.0820 0.7856 ( 5918 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4637 -20.4637 -20.3716 -20.3716 -8.4491 -8.4491 -8.0188 -8.0188 -7.3496 -7.3496 -6.9750 -6.9750 -5.7162 -5.7162 -5.5184 -5.5184 -2.8873 -2.8873 -2.7768 -2.7768 -0.7975 -0.7975 -0.2115 -0.2115 0.3003 0.3003 1.1093 1.1093 1.4325 1.4325 1.8143 1.8143 6.5318 6.5318 k = 0.1081-0.0937 0.7856 ( 5918 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4630 -20.4630 -20.3723 -20.3723 -8.4519 -8.4519 -8.0156 -8.0156 -7.3472 -7.3472 -6.9759 -6.9759 -5.7243 -5.7243 -5.5160 -5.5160 -2.8941 -2.8941 -2.7848 -2.7848 -0.7788 -0.7788 -0.2043 -0.2043 0.3099 0.3099 1.1245 1.1245 1.4298 1.4298 1.8152 1.8152 6.4919 6.4919 k = 0.1216-0.1054 0.7856 ( 5918 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4623 -20.4623 -20.3730 -20.3730 -8.4549 -8.4549 -8.0121 -8.0121 -7.3446 -7.3446 -6.9770 -6.9770 -5.7331 -5.7331 -5.5134 -5.5134 -2.9016 -2.9016 -2.7937 -2.7937 -0.7580 -0.7580 -0.1963 -0.1963 0.3205 0.3205 1.1414 1.1414 1.4268 1.4268 1.8163 1.8163 6.4480 6.4480 k = 0.1351-0.1171 0.7856 ( 5926 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4614 -20.4614 -20.3737 -20.3737 -8.4582 -8.4582 -8.0083 -8.0083 -7.3417 -7.3417 -6.9783 -6.9783 -5.7426 -5.7426 -5.5107 -5.5107 -2.9099 -2.9099 -2.8033 -2.8033 -0.7352 -0.7352 -0.1875 -0.1875 0.3321 0.3321 1.1599 1.1599 1.4236 1.4236 1.8174 1.8174 6.4006 6.4006 k = 0.1486-0.1288 0.7856 ( 5924 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4605 -20.4605 -20.3746 -20.3746 -8.4616 -8.4616 -8.0043 -8.0043 -7.3385 -7.3385 -6.9797 -6.9797 -5.7525 -5.7525 -5.5077 -5.5077 -2.9188 -2.9188 -2.8135 -2.8135 -0.7105 -0.7105 -0.1780 -0.1780 0.3445 0.3445 1.1798 1.1798 1.4202 1.4202 1.8185 1.8185 6.3503 6.3503 k = 0.1622-0.1405 0.7856 ( 5926 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4595 -20.4595 -20.3755 -20.3755 -8.4653 -8.4653 -8.0000 -8.0000 -7.3351 -7.3351 -6.9813 -6.9813 -5.7629 -5.7629 -5.5046 -5.5046 -2.9284 -2.9284 -2.8244 -2.8244 -0.6840 -0.6840 -0.1679 -0.1679 0.3577 0.3577 1.2010 1.2010 1.4166 1.4166 1.8198 1.8198 6.2973 6.2973 k = 0.1757-0.1522 0.7856 ( 5934 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4585 -20.4585 -20.3764 -20.3764 -8.4691 -8.4691 -7.9957 -7.9957 -7.3315 -7.3315 -6.9831 -6.9831 -5.7736 -5.7736 -5.5014 -5.5014 -2.9386 -2.9386 -2.8357 -2.8357 -0.6559 -0.6559 -0.1571 -0.1571 0.3715 0.3715 1.2234 1.2234 1.4128 1.4128 1.8210 1.8210 6.2423 6.2423 k = 0.1892-0.1639 0.7856 ( 5940 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4574 -20.4574 -20.3775 -20.3775 -8.4729 -8.4729 -7.9912 -7.9912 -7.3277 -7.3277 -6.9850 -6.9850 -5.7846 -5.7846 -5.4981 -5.4981 -2.9493 -2.9493 -2.8474 -2.8474 -0.6264 -0.6264 -0.1459 -0.1459 0.3860 0.3860 1.2468 1.2468 1.4090 1.4090 1.8223 1.8223 6.1856 6.1856 k = 0.2027-0.1756 0.7856 ( 5940 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4563 -20.4563 -20.3785 -20.3785 -8.4769 -8.4769 -7.9866 -7.9866 -7.3237 -7.3237 -6.9871 -6.9871 -5.7957 -5.7957 -5.4946 -5.4946 -2.9606 -2.9606 -2.8593 -2.8593 -0.5957 -0.5957 -0.1341 -0.1341 0.4008 0.4008 1.2710 1.2710 1.4050 1.4050 1.8236 1.8236 6.1278 6.1278 k = 0.2162-0.1873 0.7856 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4551 -20.4551 -20.3796 -20.3796 -8.4809 -8.4809 -7.9820 -7.9820 -7.3195 -7.3195 -6.9893 -6.9893 -5.8069 -5.8069 -5.4909 -5.4909 -2.9722 -2.9722 -2.8714 -2.8714 -0.5639 -0.5639 -0.1221 -0.1221 0.4161 0.4161 1.2958 1.2958 1.4010 1.4010 1.8249 1.8249 6.0693 6.0693 k = 0.2297-0.1990 0.7856 ( 5922 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4539 -20.4539 -20.3807 -20.3807 -8.4849 -8.4849 -7.9774 -7.9774 -7.3152 -7.3152 -6.9917 -6.9917 -5.8181 -5.8181 -5.4872 -5.4872 -2.9843 -2.9843 -2.8835 -2.8835 -0.5313 -0.5313 -0.1097 -0.1097 0.4316 0.4316 1.3211 1.3211 1.3970 1.3970 1.8262 1.8262 6.0106 6.0106 k = 0.2432-0.2107 0.7856 ( 5926 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4527 -20.4527 -20.3818 -20.3818 -8.4889 -8.4889 -7.9727 -7.9727 -7.3108 -7.3108 -6.9942 -6.9942 -5.8292 -5.8292 -5.4834 -5.4834 -2.9967 -2.9967 -2.8955 -2.8955 -0.4980 -0.4980 -0.0972 -0.0972 0.4472 0.4472 1.3467 1.3467 1.3930 1.3930 1.8275 1.8275 5.9521 5.9521 k = 0.2568-0.2224 0.7856 ( 5926 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4514 -20.4514 -20.3830 -20.3830 -8.4929 -8.4929 -7.9682 -7.9682 -7.3063 -7.3063 -6.9968 -6.9968 -5.8402 -5.8402 -5.4795 -5.4795 -3.0094 -3.0094 -2.9073 -2.9073 -0.4643 -0.4643 -0.0846 -0.0846 0.4628 0.4628 1.3723 1.3723 1.3890 1.3890 1.8287 1.8287 5.8941 5.8941 k = 0.2703-0.2342 0.7856 ( 5926 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4502 -20.4502 -20.3842 -20.3842 -8.4968 -8.4968 -7.9637 -7.9637 -7.3018 -7.3018 -6.9995 -6.9995 -5.8509 -5.8509 -5.4756 -5.4756 -3.0222 -3.0222 -2.9188 -2.9188 -0.4304 -0.4304 -0.0719 -0.0719 0.4783 0.4783 1.3850 1.3850 1.3978 1.3978 1.8298 1.8298 5.8372 5.8372 k = 0.2838-0.2459 0.7856 ( 5924 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4489 -20.4489 -20.3853 -20.3853 -8.5006 -8.5006 -7.9594 -7.9594 -7.2973 -7.2973 -7.0023 -7.0023 -5.8614 -5.8614 -5.4717 -5.4717 -3.0350 -3.0350 -2.9300 -2.9300 -0.3965 -0.3965 -0.0594 -0.0594 0.4937 0.4937 1.3812 1.3812 1.4230 1.4230 1.8309 1.8309 5.7816 5.7816 k = 0.2973-0.2576 0.7856 ( 5922 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4477 -20.4477 -20.3865 -20.3865 -8.5043 -8.5043 -7.9552 -7.9552 -7.2928 -7.2928 -7.0052 -7.0052 -5.8715 -5.8715 -5.4678 -5.4678 -3.0478 -3.0478 -2.9407 -2.9407 -0.3628 -0.3628 -0.0470 -0.0470 0.5087 0.5087 1.3774 1.3774 1.4476 1.4476 1.8319 1.8319 5.7277 5.7277 k = 0.3108-0.2693 0.7856 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4464 -20.4464 -20.3877 -20.3877 -8.5079 -8.5079 -7.9512 -7.9512 -7.2883 -7.2883 -7.0080 -7.0080 -5.8812 -5.8812 -5.4639 -5.4639 -3.0605 -3.0605 -2.9510 -2.9510 -0.3297 -0.3297 -0.0348 -0.0348 0.5233 0.5233 1.3737 1.3737 1.4715 1.4715 1.8327 1.8327 5.6759 5.6759 k = 0.3243-0.2810 0.7856 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4452 -20.4452 -20.3888 -20.3888 -8.5113 -8.5113 -7.9473 -7.9473 -7.2839 -7.2839 -7.0109 -7.0109 -5.8905 -5.8905 -5.4600 -5.4600 -3.0730 -3.0730 -2.9607 -2.9607 -0.2973 -0.2973 -0.0231 -0.0231 0.5374 0.5374 1.3703 1.3703 1.4946 1.4946 1.8335 1.8335 5.6264 5.6264 k = 0.3378-0.2927 0.7856 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4440 -20.4440 -20.3899 -20.3899 -8.5145 -8.5145 -7.9437 -7.9437 -7.2797 -7.2797 -7.0137 -7.0137 -5.8992 -5.8992 -5.4563 -5.4563 -3.0851 -3.0851 -2.9698 -2.9698 -0.2659 -0.2659 -0.0117 -0.0117 0.5510 0.5510 1.3669 1.3669 1.5166 1.5166 1.8342 1.8342 5.5796 5.5796 k = 0.3514-0.3044 0.7856 ( 5924 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4428 -20.4428 -20.3910 -20.3910 -8.5176 -8.5176 -7.9403 -7.9403 -7.2757 -7.2757 -7.0164 -7.0164 -5.9074 -5.9074 -5.4527 -5.4527 -3.0967 -3.0967 -2.9783 -2.9783 -0.2357 -0.2357 -0.0010 -0.0010 0.5638 0.5638 1.3638 1.3638 1.5373 1.5373 1.8348 1.8348 5.5356 5.5356 k = 0.3649-0.3161 0.7856 ( 5922 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4417 -20.4417 -20.3921 -20.3921 -8.5204 -8.5204 -7.9371 -7.9371 -7.2718 -7.2718 -7.0191 -7.0191 -5.9150 -5.9150 -5.4493 -5.4493 -3.1077 -3.1077 -2.9862 -2.9862 -0.2071 -0.2071 0.0092 0.0092 0.5758 0.5758 1.3609 1.3609 1.5567 1.5567 1.8353 1.8353 5.4948 5.4948 k = 0.3784-0.3278 0.7856 ( 5922 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4407 -20.4407 -20.3931 -20.3931 -8.5230 -8.5230 -7.9342 -7.9342 -7.2682 -7.2682 -7.0216 -7.0216 -5.9220 -5.9220 -5.4460 -5.4460 -3.1180 -3.1180 -2.9933 -2.9933 -0.1802 -0.1802 0.0187 0.0187 0.5869 0.5869 1.3581 1.3581 1.5746 1.5746 1.8357 1.8357 5.4574 5.4574 k = 0.3919-0.3395 0.7856 ( 5920 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4397 -20.4397 -20.3940 -20.3940 -8.5254 -8.5254 -7.9316 -7.9316 -7.2649 -7.2649 -7.0239 -7.0239 -5.9284 -5.9284 -5.4430 -5.4430 -3.1275 -3.1275 -2.9998 -2.9998 -0.1554 -0.1554 0.0273 0.0273 0.5971 0.5971 1.3557 1.3557 1.5909 1.5909 1.8359 1.8359 5.4234 5.4234 k = 0.4054-0.3512 0.7856 ( 5920 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4388 -20.4388 -20.3948 -20.3948 -8.5275 -8.5275 -7.9292 -7.9292 -7.2619 -7.2619 -7.0260 -7.0260 -5.9340 -5.9340 -5.4403 -5.4403 -3.1362 -3.1362 -3.0056 -3.0056 -0.1328 -0.1328 0.0352 0.0352 0.6063 0.6063 1.3534 1.3534 1.6055 1.6055 1.8361 1.8361 5.3932 5.3932 k = 0.4189-0.3629 0.7856 ( 5924 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4379 -20.4379 -20.3956 -20.3956 -8.5293 -8.5293 -7.9271 -7.9271 -7.2592 -7.2592 -7.0279 -7.0279 -5.9390 -5.9390 -5.4379 -5.4379 -3.1438 -3.1438 -3.0106 -3.0106 -0.1127 -0.1127 0.0421 0.0421 0.6144 0.6144 1.3515 1.3515 1.6182 1.6182 1.8363 1.8363 5.3667 5.3667 k = 0.4324-0.3746 0.7856 ( 5916 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4372 -20.4372 -20.3963 -20.3963 -8.5309 -8.5309 -7.9254 -7.9254 -7.2568 -7.2568 -7.0296 -7.0296 -5.9432 -5.9432 -5.4357 -5.4357 -3.1504 -3.1504 -3.0149 -3.0149 -0.0954 -0.0954 0.0481 0.0481 0.6213 0.6213 1.3498 1.3498 1.6292 1.6292 1.8363 1.8363 5.3441 5.3441 k = 0.4459-0.3864 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4366 -20.4366 -20.3968 -20.3968 -8.5322 -8.5322 -7.9239 -7.9239 -7.2549 -7.2549 -7.0310 -7.0310 -5.9466 -5.9466 -5.4340 -5.4340 -3.1559 -3.1559 -3.0184 -3.0184 -0.0808 -0.0808 0.0530 0.0530 0.6271 0.6271 1.3484 1.3484 1.6382 1.6382 1.8363 1.8363 5.3256 5.3256 k = 0.4595-0.3981 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4361 -20.4361 -20.3973 -20.3973 -8.5332 -8.5332 -7.9228 -7.9228 -7.2534 -7.2534 -7.0321 -7.0321 -5.9493 -5.9493 -5.4325 -5.4325 -3.1603 -3.1603 -3.0211 -3.0211 -0.0694 -0.0694 0.0569 0.0569 0.6316 0.6316 1.3473 1.3473 1.6452 1.6452 1.8363 1.8363 5.3111 5.3111 k = 0.4730-0.4098 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4358 -20.4358 -20.3976 -20.3976 -8.5340 -8.5340 -7.9220 -7.9220 -7.2523 -7.2523 -7.0329 -7.0329 -5.9513 -5.9513 -5.4315 -5.4315 -3.1634 -3.1634 -3.0231 -3.0231 -0.0611 -0.0611 0.0597 0.0597 0.6349 0.6349 1.3465 1.3465 1.6503 1.6503 1.8363 1.8363 5.3007 5.3007 k = 0.4865-0.4215 0.7856 ( 5914 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4356 -20.4356 -20.3978 -20.3978 -8.5344 -8.5344 -7.9215 -7.9215 -7.2516 -7.2516 -7.0334 -7.0334 -5.9524 -5.9524 -5.4309 -5.4309 -3.1653 -3.1653 -3.0243 -3.0243 -0.0561 -0.0561 0.0614 0.0614 0.6368 0.6368 1.3461 1.3461 1.6534 1.6534 1.8363 1.8363 5.2944 5.2944 k = 0.5000-0.4332 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4355 -20.4355 -20.3979 -20.3979 -8.5346 -8.5346 -7.9213 -7.9213 -7.2514 -7.2514 -7.0335 -7.0335 -5.9528 -5.9528 -5.4308 -5.4308 -3.1659 -3.1659 -3.0247 -3.0247 -0.0544 -0.0544 0.0620 0.0620 0.6375 0.6375 1.3459 1.3459 1.6544 1.6544 1.8363 1.8363 5.2923 5.2923 k = 0.5000-0.4332 0.7856 ( 5912 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4355 -20.4355 -20.3979 -20.3979 -8.5346 -8.5346 -7.9213 -7.9213 -7.2514 -7.2514 -7.0335 -7.0335 -5.9528 -5.9528 -5.4308 -5.4308 -3.1659 -3.1659 -3.0247 -3.0247 -0.0544 -0.0544 0.0620 0.0620 0.6375 0.6375 1.3459 1.3459 1.6544 1.6544 1.8363 1.8363 5.2923 5.2923 k = 0.4904-0.4442 0.7856 ( 5919 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4354 -20.4354 -20.3980 -20.3980 -8.5341 -8.5341 -7.9219 -7.9219 -7.2515 -7.2515 -7.0335 -7.0335 -5.9527 -5.9527 -5.4309 -5.4309 -3.1657 -3.1657 -3.0244 -3.0244 -0.0547 -0.0547 0.0614 0.0614 0.6378 0.6378 1.3457 1.3457 1.6542 1.6542 1.8352 1.8352 5.2940 5.2940 k = 0.6343-0.2782 0.6704 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4259 -20.4259 -20.4100 -20.4100 -8.4686 -8.4686 -8.0094 -8.0094 -7.3836 -7.3836 -6.9567 -6.9567 -5.8554 -5.8554 -5.4462 -5.4462 -3.0981 -3.0981 -2.9477 -2.9477 -0.1326 -0.1326 0.0003 0.0003 0.6227 0.6227 1.2265 1.2265 1.6071 1.6071 1.6784 1.6784 5.6843 5.6843 k = 0.6325-0.2802 0.6527 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4267 -20.4267 -20.4101 -20.4101 -8.4782 -8.4782 -8.0069 -8.0069 -7.4049 -7.4049 -6.9504 -6.9504 -5.8365 -5.8365 -5.4462 -5.4462 -3.0900 -3.0900 -2.9421 -2.9421 -0.1147 -0.1147 0.0173 0.0173 0.6046 0.6046 1.2037 1.2037 1.6018 1.6018 1.6817 1.6817 5.7001 5.7001 k = 0.6308-0.2822 0.6349 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4275 -20.4275 -20.4102 -20.4102 -8.4885 -8.4885 -8.0045 -8.0045 -7.4277 -7.4277 -6.9445 -6.9445 -5.8162 -5.8162 -5.4464 -5.4464 -3.0802 -3.0802 -2.9352 -2.9352 -0.0938 -0.0938 0.0375 0.0375 0.5855 0.5855 1.1784 1.1784 1.5955 1.5955 1.6843 1.6843 5.7194 5.7194 k = 0.6290-0.2843 0.6171 ( 5939 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4285 -20.4285 -20.4104 -20.4104 -8.4995 -8.4995 -8.0022 -8.0022 -7.4518 -7.4518 -6.9391 -6.9391 -5.7946 -5.7946 -5.4469 -5.4469 -3.0690 -3.0690 -2.9272 -2.9272 -0.0699 -0.0699 0.0608 0.0608 0.5657 0.5657 1.1509 1.1509 1.5884 1.5884 1.6861 1.6861 5.7420 5.7420 k = 0.6273-0.2863 0.5994 ( 5938 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4295 -20.4295 -20.4108 -20.4108 -8.5110 -8.5110 -8.0001 -8.0001 -7.4771 -7.4771 -6.9341 -6.9341 -5.7722 -5.7722 -5.4475 -5.4475 -3.0562 -3.0562 -2.9179 -2.9179 -0.0433 -0.0433 0.0870 0.0870 0.5457 0.5457 1.1214 1.1214 1.5803 1.5803 1.6871 1.6871 5.7677 5.7677 k = 0.6255-0.2883 0.5816 ( 5934 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4306 -20.4306 -20.4111 -20.4111 -8.5231 -8.5231 -7.9981 -7.9981 -7.5033 -7.5033 -6.9294 -6.9294 -5.7490 -5.7490 -5.4483 -5.4483 -3.0420 -3.0420 -2.9074 -2.9074 -0.0145 -0.0145 0.1161 0.1161 0.5259 0.5259 1.0900 1.0900 1.5714 1.5714 1.6875 1.6875 5.7962 5.7962 k = 0.6238-0.2903 0.5639 ( 5934 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4317 -20.4317 -20.4116 -20.4116 -8.5357 -8.5357 -7.9962 -7.9962 -7.5304 -7.5304 -6.9251 -6.9251 -5.7254 -5.7254 -5.4493 -5.4493 -3.0264 -3.0264 -2.8958 -2.8958 0.0159 0.0159 0.1475 0.1475 0.5071 0.5071 1.0570 1.0570 1.5617 1.5617 1.6871 1.6871 5.8273 5.8273 k = 0.6220-0.2924 0.5461 ( 5936 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2198 -40.2198 -20.4330 -20.4330 -20.4121 -20.4121 -8.5488 -8.5488 -7.9945 -7.9945 -7.5582 -7.5582 -6.9210 -6.9210 -5.7014 -5.7014 -5.4505 -5.4505 -3.0095 -3.0095 -2.8830 -2.8830 0.0471 0.0471 0.1812 0.1812 0.4905 0.4905 1.0224 1.0224 1.5512 1.5512 1.6862 1.6862 5.8608 5.8608 k = 0.6202-0.2944 0.5284 ( 5934 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2394 -40.2394 -40.2198 -40.2198 -20.4342 -20.4342 -20.4127 -20.4127 -8.5622 -8.5622 -7.9929 -7.9929 -7.5864 -7.5864 -6.9171 -6.9171 -5.6773 -5.6773 -5.4519 -5.4519 -2.9913 -2.9913 -2.8691 -2.8691 0.0774 0.0774 0.2166 0.2166 0.4778 0.4778 0.9866 0.9866 1.5400 1.5400 1.6847 1.6847 5.8964 5.8964 k = 0.6185-0.2964 0.5106 ( 5940 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2198 -40.2198 -20.4355 -20.4355 -20.4134 -20.4134 -8.5759 -8.5759 -7.9914 -7.9914 -7.6150 -7.6150 -6.9136 -6.9136 -5.6532 -5.6532 -5.4534 -5.4534 -2.9719 -2.9719 -2.8542 -2.8542 0.1046 0.1046 0.2534 0.2534 0.4716 0.4716 0.9496 0.9496 1.5282 1.5282 1.6827 1.6827 5.9338 5.9338 k = 0.6167-0.2984 0.4928 ( 5944 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4369 -20.4369 -20.4141 -20.4141 -8.5899 -8.5899 -7.9900 -7.9900 -7.6438 -7.6438 -6.9102 -6.9102 -5.6293 -5.6293 -5.4551 -5.4551 -2.9513 -2.9513 -2.8382 -2.8382 0.1255 0.1255 0.2917 0.2917 0.4747 0.4747 0.9116 0.9116 1.5159 1.5159 1.6802 1.6802 5.9728 5.9728 k = 0.6150-0.3005 0.4751 ( 5939 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4383 -20.4383 -20.4148 -20.4148 -8.6040 -8.6040 -7.9887 -7.9887 -7.6726 -7.6726 -6.9071 -6.9071 -5.6057 -5.6057 -5.4568 -5.4568 -2.9296 -2.9296 -2.8213 -2.8213 0.1372 0.1372 0.3322 0.3322 0.4894 0.4894 0.8728 0.8728 1.5030 1.5030 1.6773 1.6773 6.0131 6.0131 k = 0.6132-0.3025 0.4573 ( 5935 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2393 -40.2393 -40.2196 -40.2196 -20.4397 -20.4397 -20.4156 -20.4156 -8.6183 -8.6183 -7.9875 -7.9875 -7.7013 -7.7013 -6.9042 -6.9042 -5.5826 -5.5826 -5.4587 -5.4587 -2.9070 -2.9070 -2.8034 -2.8034 0.1381 0.1381 0.3756 0.3756 0.5160 0.5160 0.8334 0.8334 1.4898 1.4898 1.6742 1.6742 6.0544 6.0544 k = 0.6115-0.3045 0.4396 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2393 -40.2393 -40.2196 -40.2196 -20.4412 -20.4412 -20.4164 -20.4164 -8.6326 -8.6326 -7.9864 -7.9864 -7.7298 -7.7298 -6.9016 -6.9016 -5.5600 -5.5600 -5.4607 -5.4607 -2.8834 -2.8834 -2.7847 -2.7847 0.1294 0.1294 0.4225 0.4225 0.5526 0.5526 0.7935 0.7935 1.4763 1.4763 1.6707 1.6707 6.0964 6.0964 k = 0.6097-0.3065 0.4218 ( 5942 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2196 -40.2196 -20.4427 -20.4427 -20.4173 -20.4173 -8.6469 -8.6469 -7.9854 -7.9854 -7.7580 -7.7580 -6.8991 -6.8991 -5.5380 -5.5380 -5.4628 -5.4628 -2.8591 -2.8591 -2.7652 -2.7652 0.1134 0.1134 0.4728 0.4728 0.5966 0.5966 0.7533 0.7533 1.4625 1.4625 1.6671 1.6671 6.1388 6.1388 k = 0.6080-0.3086 0.4041 ( 5943 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2195 -40.2195 -20.4441 -20.4441 -20.4182 -20.4182 -8.6612 -8.6612 -7.9845 -7.9845 -7.7857 -7.7857 -6.8969 -6.8969 -5.5168 -5.5168 -5.4649 -5.4649 -2.8340 -2.8340 -2.7450 -2.7450 0.0924 0.0924 0.5262 0.5262 0.6460 0.6460 0.7129 0.7129 1.4486 1.4486 1.6633 1.6633 6.1815 6.1815 k = 0.6062-0.3106 0.3863 ( 5945 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2392 -40.2392 -40.2195 -40.2195 -20.4456 -20.4456 -20.4191 -20.4191 -8.6754 -8.6754 -7.9837 -7.9837 -7.8129 -7.8129 -6.8949 -6.8949 -5.4963 -5.4963 -5.4671 -5.4671 -2.8084 -2.8084 -2.7242 -2.7242 0.0680 0.0680 0.5820 0.5820 0.6726 0.6726 0.6993 0.6993 1.4346 1.4346 1.6596 1.6596 6.2241 6.2241 k = 0.6045-0.3126 0.3686 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5183 -40.5183 -40.2392 -40.2392 -40.2194 -40.2194 -20.4471 -20.4471 -20.4200 -20.4200 -8.6893 -8.6893 -7.9829 -7.9829 -7.8395 -7.8395 -6.8931 -6.8931 -5.4766 -5.4766 -5.4693 -5.4693 -2.7822 -2.7822 -2.7028 -2.7028 0.0414 0.0414 0.6322 0.6322 0.6398 0.6398 0.7554 0.7554 1.4207 1.4207 1.6559 1.6559 6.2663 6.2663 k = 0.6027-0.3146 0.3508 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5183 -40.5183 -40.2391 -40.2391 -40.2194 -40.2194 -20.4486 -20.4486 -20.4209 -20.4209 -8.7031 -8.7031 -7.9822 -7.9822 -7.8653 -7.8653 -6.8915 -6.8915 -5.4716 -5.4716 -5.4578 -5.4578 -2.7557 -2.7557 -2.6810 -2.6810 0.0135 0.0135 0.5924 0.5924 0.6987 0.6987 0.8135 0.8135 1.4069 1.4069 1.6523 1.6523 6.3080 6.3080 k = 0.6009-0.3167 0.3330 ( 5958 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4501 -20.4501 -20.4218 -20.4218 -8.7165 -8.7165 -7.9815 -7.9815 -7.8903 -7.8903 -6.8901 -6.8901 -5.4738 -5.4738 -5.4399 -5.4399 -2.7290 -2.7290 -2.6589 -2.6589 -0.0152 -0.0152 0.5529 0.5529 0.7588 0.7588 0.8732 0.8732 1.3932 1.3932 1.6490 1.6490 6.3488 6.3488 k = 0.5992-0.3187 0.3153 ( 5954 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4515 -20.4515 -20.4227 -20.4227 -8.7297 -8.7297 -7.9809 -7.9809 -7.9144 -7.9144 -6.8889 -6.8889 -5.4761 -5.4761 -5.4230 -5.4230 -2.7021 -2.7021 -2.6365 -2.6365 -0.0443 -0.0443 0.5140 0.5140 0.8193 0.8193 0.9338 0.9338 1.3799 1.3799 1.6460 1.6460 6.3887 6.3887 k = 0.5974-0.3207 0.2975 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2192 -40.2192 -20.4530 -20.4530 -20.4236 -20.4236 -8.7424 -8.7424 -7.9804 -7.9804 -7.9375 -7.9375 -6.8879 -6.8879 -5.4783 -5.4783 -5.4070 -5.4070 -2.6753 -2.6753 -2.6140 -2.6140 -0.0734 -0.0734 0.4759 0.4759 0.8799 0.8799 0.9950 0.9950 1.3668 1.3668 1.6436 1.6436 6.4272 6.4272 k = 0.5957-0.3227 0.2798 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2391 -40.2391 -40.2192 -40.2192 -20.4544 -20.4544 -20.4245 -20.4245 -8.7547 -8.7547 -7.9800 -7.9800 -7.9595 -7.9595 -6.8871 -6.8871 -5.4805 -5.4805 -5.3920 -5.3920 -2.6486 -2.6486 -2.5916 -2.5916 -0.1022 -0.1022 0.4387 0.4387 0.9400 0.9400 1.0563 1.0563 1.3542 1.3542 1.6418 1.6418 6.4644 6.4644 k = 0.5939-0.3248 0.2620 ( 5941 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2191 -40.2191 -20.4557 -20.4557 -20.4254 -20.4254 -8.7666 -8.7666 -7.9829 -7.9829 -7.9772 -7.9772 -6.8864 -6.8864 -5.4827 -5.4827 -5.3779 -5.3779 -2.6223 -2.6223 -2.5694 -2.5694 -0.1306 -0.1306 0.4025 0.4025 0.9992 0.9992 1.1173 1.1173 1.3420 1.3420 1.6407 1.6407 6.4999 6.4999 k = 0.5922-0.3268 0.2443 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2191 -40.2191 -20.4570 -20.4570 -20.4262 -20.4262 -8.7780 -8.7780 -8.0012 -8.0012 -7.9783 -7.9783 -6.8859 -6.8859 -5.4848 -5.4848 -5.3649 -5.3649 -2.5966 -2.5966 -2.5475 -2.5475 -0.1582 -0.1582 0.3676 0.3676 1.0569 1.0569 1.1775 1.1775 1.3303 1.3303 1.6407 1.6407 6.5336 6.5336 k = 0.5904-0.3288 0.2265 ( 5941 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2190 -40.2190 -20.4583 -20.4583 -20.4270 -20.4270 -8.7888 -8.7888 -8.0199 -8.0199 -7.9779 -7.9779 -6.8856 -6.8856 -5.4868 -5.4868 -5.3529 -5.3529 -2.5715 -2.5715 -2.5260 -2.5260 -0.1850 -0.1850 0.3341 0.3341 1.1124 1.1124 1.2366 1.2366 1.3193 1.3193 1.6420 1.6420 6.5654 6.5654 k = 0.5887-0.3308 0.2087 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2190 -40.2190 -20.4595 -20.4595 -20.4278 -20.4278 -8.7990 -8.7990 -8.0374 -8.0374 -7.9775 -7.9775 -6.8854 -6.8854 -5.4887 -5.4887 -5.3418 -5.3418 -2.5472 -2.5472 -2.5052 -2.5052 -0.2106 -0.2106 0.3021 0.3021 1.1652 1.1652 1.2938 1.2938 1.3092 1.3092 1.6448 1.6448 6.5951 6.5951 k = 0.5869-0.3329 0.1910 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4606 -20.4606 -20.4285 -20.4285 -8.8086 -8.8086 -8.0537 -8.0537 -7.9770 -7.9770 -6.8853 -6.8853 -5.4905 -5.4905 -5.3318 -5.3318 -2.5240 -2.5240 -2.4852 -2.4852 -0.2350 -0.2350 0.2718 0.2718 1.2145 1.2145 1.2988 1.2988 1.3499 1.3499 1.6494 1.6494 6.6227 6.6227 k = 0.5852-0.3349 0.1732 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4617 -20.4617 -20.4291 -20.4291 -8.8176 -8.8176 -8.0688 -8.0688 -7.9765 -7.9765 -6.8853 -6.8853 -5.4923 -5.4923 -5.3228 -5.3228 -2.5020 -2.5020 -2.4661 -2.4661 -0.2580 -0.2580 0.2434 0.2434 1.2596 1.2596 1.2899 1.2899 1.4029 1.4029 1.6560 1.6560 6.6479 6.6479 k = 0.5834-0.3369 0.1555 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2389 -40.2389 -40.2189 -40.2189 -20.4627 -20.4627 -20.4297 -20.4297 -8.8259 -8.8259 -8.0824 -8.0824 -7.9760 -7.9760 -6.8855 -6.8855 -5.4939 -5.4939 -5.3148 -5.3148 -2.4813 -2.4813 -2.4481 -2.4481 -0.2794 -0.2794 0.2170 0.2170 1.2816 1.2816 1.2999 1.2999 1.4531 1.4531 1.6651 1.6651 6.6708 6.6708 k = 0.5816-0.3389 0.1377 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2389 -40.2389 -40.2189 -40.2189 -20.4637 -20.4637 -20.4303 -20.4303 -8.8335 -8.8335 -8.0948 -8.0948 -7.9754 -7.9754 -6.8858 -6.8858 -5.4953 -5.4953 -5.3077 -5.3077 -2.4621 -2.4621 -2.4315 -2.4315 -0.2990 -0.2990 0.1929 0.1929 1.2742 1.2742 1.3349 1.3349 1.5000 1.5000 1.6764 1.6764 6.6912 6.6912 k = 0.5799-0.3410 0.1200 ( 5960 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4645 -20.4645 -20.4308 -20.4308 -8.8404 -8.8404 -8.1057 -8.1057 -7.9748 -7.9748 -6.8861 -6.8861 -5.4966 -5.4966 -5.3016 -5.3016 -2.4448 -2.4448 -2.4162 -2.4162 -0.3168 -0.3168 0.1711 0.1711 1.2676 1.2676 1.3644 1.3644 1.5432 1.5432 1.6900 1.6900 6.7091 6.7091 k = 0.5781-0.3430 0.1022 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4653 -20.4653 -20.4312 -20.4312 -8.8465 -8.8465 -8.1152 -8.1152 -7.9742 -7.9742 -6.8866 -6.8866 -5.4978 -5.4978 -5.2965 -5.2965 -2.4293 -2.4293 -2.4026 -2.4026 -0.3324 -0.3324 0.1518 0.1518 1.2618 1.2618 1.3885 1.3885 1.5824 1.5824 1.7050 1.7050 6.7244 6.7244 k = 0.5764-0.3450 0.0844 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4660 -20.4660 -20.4315 -20.4315 -8.8519 -8.8519 -8.1233 -8.1233 -7.9736 -7.9736 -6.8872 -6.8872 -5.4989 -5.4989 -5.2924 -5.2924 -2.4158 -2.4158 -2.3906 -2.3906 -0.3460 -0.3460 0.1351 0.1351 1.2570 1.2570 1.4078 1.4078 1.6171 1.6171 1.7206 1.7206 6.7371 6.7371 k = 0.5746-0.3470 0.0667 ( 5953 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4666 -20.4666 -20.4318 -20.4318 -8.8564 -8.8564 -8.1300 -8.1300 -7.9729 -7.9729 -6.8878 -6.8878 -5.4997 -5.4997 -5.2892 -5.2892 -2.4045 -2.4045 -2.3806 -2.3806 -0.3572 -0.3572 0.1213 0.1213 1.2531 1.2531 1.4228 1.4228 1.6470 1.6470 1.7358 1.7358 6.7472 6.7472 k = 0.5729-0.3491 0.0489 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4671 -20.4671 -20.4320 -20.4320 -8.8602 -8.8602 -8.1352 -8.1352 -7.9721 -7.9721 -6.8885 -6.8885 -5.5004 -5.5004 -5.2869 -5.2869 -2.3956 -2.3956 -2.3725 -2.3725 -0.3660 -0.3660 0.1103 0.1103 1.2501 1.2501 1.4343 1.4343 1.6720 1.6720 1.7494 1.7494 6.7546 6.7546 k = 0.5711-0.3511 0.0312 ( 5945 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4675 -20.4675 -20.4321 -20.4321 -8.8632 -8.8632 -8.1389 -8.1389 -7.9713 -7.9713 -6.8893 -6.8893 -5.5010 -5.5010 -5.2856 -5.2856 -2.3890 -2.3890 -2.3665 -2.3665 -0.3722 -0.3722 0.1023 0.1023 1.2481 1.2481 1.4430 1.4430 1.6918 1.6918 1.7603 1.7603 6.7593 6.7593 k = 0.5694-0.3531 0.0134 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4678 -20.4678 -20.4322 -20.4322 -8.8654 -8.8654 -8.1411 -8.1411 -7.9705 -7.9705 -6.8902 -6.8902 -5.5013 -5.5013 -5.2853 -5.2853 -2.3849 -2.3849 -2.3627 -2.3627 -0.3760 -0.3760 0.0974 0.0974 1.2471 1.2471 1.4494 1.4494 1.7062 1.7062 1.7678 1.7678 6.7612 6.7612 k = 0.5676-0.3551-0.0043 ( 5946 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4680 -20.4680 -20.4321 -20.4321 -8.8668 -8.8668 -8.1419 -8.1419 -7.9696 -7.9696 -6.8911 -6.8911 -5.5015 -5.5015 -5.2859 -5.2859 -2.3834 -2.3834 -2.3611 -2.3611 -0.3771 -0.3771 0.0955 0.0955 1.2471 1.2471 1.4538 1.4538 1.7153 1.7153 1.7713 1.7713 6.7604 6.7604 k = 0.5659-0.3572-0.0221 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4682 -20.4682 -20.4320 -20.4320 -8.8674 -8.8674 -8.1411 -8.1411 -7.9687 -7.9687 -6.8921 -6.8921 -5.5016 -5.5016 -5.2874 -5.2874 -2.3844 -2.3844 -2.3617 -2.3617 -0.3756 -0.3756 0.0968 0.0968 1.2480 1.2480 1.4564 1.4564 1.7191 1.7191 1.7703 1.7703 6.7568 6.7568 k = 0.5641-0.3592-0.0398 ( 5946 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4682 -20.4682 -20.4318 -20.4318 -8.8671 -8.8671 -8.1389 -8.1389 -7.9677 -7.9677 -6.8932 -6.8932 -5.5014 -5.5014 -5.2898 -5.2898 -2.3879 -2.3879 -2.3646 -2.3646 -0.3714 -0.3714 0.1012 0.1012 1.2499 1.2499 1.4571 1.4571 1.7177 1.7177 1.7649 1.7649 6.7504 6.7504 k = 0.5624-0.3612-0.0576 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4681 -20.4681 -20.4316 -20.4316 -8.8660 -8.8660 -8.1351 -8.1351 -7.9667 -7.9667 -6.8943 -6.8943 -5.5011 -5.5011 -5.2932 -5.2932 -2.3940 -2.3940 -2.3696 -2.3696 -0.3647 -0.3647 0.1087 0.1087 1.2528 1.2528 1.4558 1.4558 1.7112 1.7112 1.7551 1.7551 6.7413 6.7413 k = 0.5624-0.3612-0.0576 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4681 -20.4681 -20.4316 -20.4316 -8.8660 -8.8660 -8.1351 -8.1351 -7.9667 -7.9667 -6.8943 -6.8943 -5.5011 -5.5011 -5.2932 -5.2932 -2.3940 -2.3940 -2.3696 -2.3696 -0.3647 -0.3647 0.1087 0.1087 1.2528 1.2528 1.4558 1.4558 1.7112 1.7112 1.7551 1.7551 6.7413 6.7413 k = 0.5534-0.3715-0.0494 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4689 -20.4689 -20.4308 -20.4308 -8.8726 -8.8726 -8.1438 -8.1438 -7.9599 -7.9599 -6.8860 -6.8860 -5.4993 -5.4993 -5.2872 -5.2872 -2.3918 -2.3918 -2.3663 -2.3663 -0.3855 -0.3855 0.0945 0.0945 1.2492 1.2492 1.4635 1.4635 1.7193 1.7193 1.7615 1.7615 6.7337 6.7337 k = 0.5445-0.3818-0.0411 ( 5949 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4696 -20.4696 -20.4302 -20.4302 -8.8782 -8.8782 -8.1512 -8.1512 -7.9542 -7.9542 -6.8790 -6.8790 -5.4977 -5.4977 -5.2821 -5.2821 -2.3899 -2.3899 -2.3634 -2.3634 -0.4033 -0.4033 0.0824 0.0824 1.2461 1.2461 1.4699 1.4699 1.7253 1.7253 1.7681 1.7681 6.7272 6.7272 k = 0.5356-0.3921-0.0329 ( 5955 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4702 -20.4702 -20.4297 -20.4297 -8.8828 -8.8828 -8.1573 -8.1573 -7.9495 -7.9495 -6.8733 -6.8733 -5.4965 -5.4965 -5.2780 -5.2780 -2.3884 -2.3884 -2.3609 -2.3609 -0.4180 -0.4180 0.0724 0.0724 1.2435 1.2435 1.4751 1.4751 1.7296 1.7296 1.7742 1.7742 6.7219 6.7219 k = 0.5267-0.4023-0.0247 ( 5957 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4706 -20.4706 -20.4293 -20.4293 -8.8864 -8.8864 -8.1620 -8.1620 -7.9458 -7.9458 -6.8688 -6.8688 -5.4955 -5.4955 -5.2747 -5.2747 -2.3871 -2.3871 -2.3590 -2.3590 -0.4295 -0.4295 0.0646 0.0646 1.2415 1.2415 1.4791 1.4791 1.7325 1.7325 1.7795 1.7795 6.7178 6.7178 k = 0.5178-0.4126-0.0165 ( 5966 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4709 -20.4709 -20.4290 -20.4290 -8.8890 -8.8890 -8.1654 -8.1654 -7.9432 -7.9432 -6.8655 -6.8655 -5.4948 -5.4948 -5.2724 -5.2724 -2.3863 -2.3863 -2.3576 -2.3576 -0.4377 -0.4377 0.0590 0.0590 1.2400 1.2400 1.4819 1.4819 1.7345 1.7345 1.7835 1.7835 6.7148 6.7148 k = 0.5089-0.4229-0.0082 ( 5964 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4711 -20.4711 -20.4288 -20.4288 -8.8905 -8.8905 -8.1674 -8.1674 -7.9416 -7.9416 -6.8636 -6.8636 -5.4944 -5.4944 -5.2709 -5.2709 -2.3857 -2.3857 -2.3568 -2.3568 -0.4427 -0.4427 0.0556 0.0556 1.2392 1.2392 1.4836 1.4836 1.7355 1.7355 1.7861 1.7861 6.7131 6.7131 k = 0.5000-0.4332 0.0000 ( 5966 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4712 -20.4712 -20.4288 -20.4288 -8.8910 -8.8910 -8.1681 -8.1681 -7.9410 -7.9410 -6.8629 -6.8629 -5.4943 -5.4943 -5.2705 -5.2705 -2.3856 -2.3856 -2.3565 -2.3565 -0.4443 -0.4443 0.0545 0.0545 1.2389 1.2389 1.4842 1.4842 1.7359 1.7359 1.7869 1.7869 6.7125 6.7125 k = 0.5000-0.4332 0.0000 ( 5966 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4712 -20.4712 -20.4288 -20.4288 -8.8910 -8.8910 -8.1681 -8.1681 -7.9410 -7.9410 -6.8629 -6.8629 -5.4943 -5.4943 -5.2705 -5.2705 -2.3856 -2.3856 -2.3565 -2.3565 -0.4443 -0.4443 0.0545 0.0545 1.2389 1.2389 1.4842 1.4842 1.7359 1.7359 1.7869 1.7869 6.7125 6.7125 k = 0.4865-0.4215 0.0000 ( 5962 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4713 -20.4713 -20.4287 -20.4287 -8.8905 -8.8905 -8.1676 -8.1676 -7.9411 -7.9411 -6.8636 -6.8636 -5.4950 -5.4950 -5.2712 -5.2712 -2.3857 -2.3857 -2.3564 -2.3564 -0.4432 -0.4432 0.0564 0.0564 1.2384 1.2384 1.4845 1.4845 1.7360 1.7360 1.7869 1.7869 6.7013 6.7013 k = 0.4730-0.4098 0.0000 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4715 -20.4715 -20.4285 -20.4285 -8.8891 -8.8891 -8.1662 -8.1662 -7.9412 -7.9412 -6.8655 -6.8655 -5.4972 -5.4972 -5.2732 -5.2732 -2.3862 -2.3862 -2.3561 -2.3561 -0.4398 -0.4398 0.0624 0.0624 1.2371 1.2371 1.4854 1.4854 1.7363 1.7363 1.7870 1.7870 6.6697 6.6697 k = 0.4595-0.3981 0.0000 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4719 -20.4719 -20.4281 -20.4281 -8.8866 -8.8866 -8.1638 -8.1638 -7.9414 -7.9414 -6.8687 -6.8687 -5.5009 -5.5009 -5.2767 -5.2767 -2.3870 -2.3870 -2.3557 -2.3557 -0.4343 -0.4343 0.0722 0.0722 1.2350 1.2350 1.4870 1.4870 1.7367 1.7367 1.7872 1.7872 6.6222 6.6222 k = 0.4459-0.3864 0.0000 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4724 -20.4724 -20.4277 -20.4277 -8.8832 -8.8832 -8.1604 -8.1604 -7.9417 -7.9417 -6.8732 -6.8732 -5.5061 -5.5061 -5.2815 -5.2815 -2.3881 -2.3881 -2.3552 -2.3552 -0.4265 -0.4265 0.0860 0.0860 1.2320 1.2320 1.4893 1.4893 1.7374 1.7374 1.7873 1.7873 6.5636 6.5636 k = 0.4324-0.3746 0.0000 ( 5950 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4730 -20.4730 -20.4271 -20.4271 -8.8789 -8.8789 -8.1562 -8.1562 -7.9421 -7.9421 -6.8789 -6.8789 -5.5126 -5.5126 -5.2877 -5.2877 -2.3895 -2.3895 -2.3546 -2.3546 -0.4166 -0.4166 0.1035 0.1035 1.2282 1.2282 1.4921 1.4921 1.7382 1.7382 1.7875 1.7875 6.4971 6.4971 k = 0.4189-0.3629 0.0000 ( 5956 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4738 -20.4738 -20.4264 -20.4264 -8.8736 -8.8736 -8.1511 -8.1511 -7.9426 -7.9426 -6.8858 -6.8858 -5.5205 -5.5205 -5.2951 -5.2951 -2.3911 -2.3911 -2.3540 -2.3540 -0.4046 -0.4046 0.1248 0.1248 1.2236 1.2236 1.4955 1.4955 1.7391 1.7391 1.7878 1.7878 6.4252 6.4252 k = 0.4054-0.3512 0.0000 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4747 -20.4747 -20.4256 -20.4256 -8.8674 -8.8674 -8.1451 -8.1451 -7.9432 -7.9432 -6.8939 -6.8939 -5.5296 -5.5296 -5.3037 -5.3037 -2.3928 -2.3928 -2.3533 -2.3533 -0.3907 -0.3907 0.1497 0.1497 1.2183 1.2183 1.4995 1.4995 1.7402 1.7402 1.7881 1.7881 6.3494 6.3494 k = 0.3919-0.3395 0.0000 ( 5946 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4757 -20.4757 -20.4247 -20.4247 -8.8603 -8.8603 -8.1382 -8.1382 -7.9439 -7.9439 -6.9031 -6.9031 -5.5399 -5.5399 -5.3135 -5.3135 -2.3948 -2.3948 -2.3525 -2.3525 -0.3750 -0.3750 0.1781 0.1781 1.2124 1.2124 1.5040 1.5040 1.7415 1.7415 1.7883 1.7883 6.2707 6.2707 k = 0.3784-0.3278 0.0000 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4767 -20.4767 -20.4237 -20.4237 -8.8523 -8.8523 -8.1306 -8.1306 -7.9446 -7.9446 -6.9135 -6.9135 -5.5513 -5.5513 -5.3243 -5.3243 -2.3968 -2.3968 -2.3518 -2.3518 -0.3574 -0.3574 0.2099 0.2099 1.2059 1.2059 1.5090 1.5090 1.7429 1.7429 1.7887 1.7887 6.1899 6.1899 k = 0.3649-0.3161 0.0000 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4779 -20.4779 -20.4227 -20.4227 -8.8435 -8.8435 -8.1222 -8.1222 -7.9454 -7.9454 -6.9249 -6.9249 -5.5636 -5.5636 -5.3362 -5.3362 -2.3990 -2.3990 -2.3511 -2.3511 -0.3383 -0.3383 0.2450 0.2450 1.1988 1.1988 1.5145 1.5145 1.7445 1.7445 1.7890 1.7890 6.1076 6.1076 k = 0.3514-0.3044 0.0000 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4791 -20.4791 -20.4216 -20.4216 -8.8339 -8.8339 -8.1132 -8.1132 -7.9463 -7.9463 -6.9373 -6.9373 -5.5768 -5.5768 -5.3489 -5.3489 -2.4012 -2.4012 -2.3503 -2.3503 -0.3177 -0.3177 0.2831 0.2831 1.1913 1.1913 1.5204 1.5204 1.7461 1.7461 1.7893 1.7893 6.0241 6.0241 k = 0.3378-0.2927 0.0000 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4804 -20.4804 -20.4205 -20.4205 -8.8235 -8.8235 -8.1035 -8.1035 -7.9473 -7.9473 -6.9506 -6.9506 -5.5908 -5.5908 -5.3625 -5.3625 -2.4036 -2.4036 -2.3496 -2.3496 -0.2957 -0.2957 0.3241 0.3241 1.1834 1.1834 1.5267 1.5267 1.7479 1.7479 1.7896 1.7896 5.9397 5.9397 k = 0.3243-0.2810 0.0000 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4817 -20.4817 -20.4193 -20.4193 -8.8124 -8.8124 -8.0932 -8.0932 -7.9483 -7.9483 -6.9648 -6.9648 -5.6054 -5.6054 -5.3768 -5.3768 -2.4059 -2.4059 -2.3490 -2.3490 -0.2726 -0.2726 0.3678 0.3678 1.1752 1.1752 1.5333 1.5333 1.7497 1.7497 1.7898 1.7898 5.8549 5.8549 k = 0.3108-0.2693 0.0000 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4831 -20.4831 -20.4181 -20.4181 -8.8006 -8.8006 -8.0823 -8.0823 -7.9494 -7.9494 -6.9798 -6.9798 -5.6206 -5.6206 -5.3917 -5.3917 -2.4084 -2.4084 -2.3483 -2.3483 -0.2484 -0.2484 0.4140 0.4140 1.1668 1.1668 1.5402 1.5402 1.7516 1.7516 1.7901 1.7901 5.7698 5.7698 k = 0.2973-0.2576 0.0000 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4844 -20.4844 -20.4169 -20.4169 -8.7882 -8.7882 -8.0711 -8.0711 -7.9506 -7.9506 -6.9956 -6.9956 -5.6361 -5.6361 -5.4071 -5.4071 -2.4108 -2.4108 -2.3477 -2.3477 -0.2234 -0.2234 0.4626 0.4626 1.1582 1.1582 1.5473 1.5473 1.7536 1.7536 1.7903 1.7903 5.6847 5.6847 k = 0.2838-0.2459 0.0000 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4858 -20.4858 -20.4157 -20.4157 -8.7752 -8.7752 -8.0594 -8.0594 -7.9518 -7.9518 -7.0119 -7.0119 -5.6520 -5.6520 -5.4229 -5.4229 -2.4133 -2.4133 -2.3472 -2.3472 -0.1978 -0.1978 0.5131 0.5131 1.1494 1.1494 1.5546 1.5546 1.7557 1.7557 1.7905 1.7905 5.5997 5.5997 k = 0.2703-0.2342 0.0000 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4872 -20.4872 -20.4145 -20.4145 -8.7617 -8.7617 -8.0474 -8.0474 -7.9531 -7.9531 -7.0288 -7.0288 -5.6679 -5.6679 -5.4390 -5.4390 -2.4157 -2.4157 -2.3466 -2.3466 -0.1716 -0.1716 0.5655 0.5655 1.1407 1.1407 1.5620 1.5620 1.7577 1.7577 1.7907 1.7907 5.5152 5.5152 k = 0.2568-0.2224 0.0000 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4886 -20.4886 -20.4132 -20.4132 -8.7478 -8.7478 -8.0352 -8.0352 -7.9544 -7.9544 -7.0461 -7.0461 -5.6840 -5.6840 -5.4553 -5.4553 -2.4181 -2.4181 -2.3461 -2.3461 -0.1452 -0.1452 0.6195 0.6195 1.1320 1.1320 1.5695 1.5695 1.7598 1.7598 1.7909 1.7909 5.4313 5.4313 k = 0.2432-0.2107 0.0000 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4900 -20.4900 -20.4120 -20.4120 -8.7335 -8.7335 -8.0229 -8.0229 -7.9558 -7.9558 -7.0638 -7.0638 -5.7000 -5.7000 -5.4717 -5.4717 -2.4205 -2.4205 -2.3456 -2.3456 -0.1186 -0.1186 0.6747 0.6747 1.1233 1.1233 1.5771 1.5771 1.7618 1.7618 1.7910 1.7910 5.3482 5.3482 k = 0.2297-0.1990 0.0000 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4914 -20.4914 -20.4108 -20.4108 -8.7189 -8.7189 -8.0105 -8.0105 -7.9573 -7.9573 -7.0816 -7.0816 -5.7158 -5.7158 -5.4880 -5.4880 -2.4229 -2.4229 -2.3452 -2.3452 -0.0921 -0.0921 0.7309 0.7309 1.1148 1.1148 1.5845 1.5845 1.7639 1.7639 1.7912 1.7912 5.2662 5.2662 k = 0.2162-0.1873 0.0000 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4927 -20.4927 -20.4096 -20.4096 -8.7042 -8.7042 -7.9982 -7.9982 -7.9587 -7.9587 -7.0996 -7.0996 -5.7312 -5.7312 -5.5042 -5.5042 -2.4251 -2.4251 -2.3447 -2.3447 -0.0659 -0.0659 0.7877 0.7877 1.1065 1.1065 1.5919 1.5919 1.7659 1.7659 1.7913 1.7913 5.1855 5.1855 k = 0.2027-0.1756 0.0000 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4940 -20.4940 -20.4085 -20.4085 -8.6893 -8.6893 -7.9859 -7.9859 -7.9602 -7.9602 -7.1175 -7.1175 -5.7463 -5.7463 -5.5201 -5.5201 -2.4274 -2.4274 -2.3443 -2.3443 -0.0402 -0.0402 0.8448 0.8448 1.0985 1.0985 1.5991 1.5991 1.7678 1.7678 1.7914 1.7914 5.1065 5.1065 k = 0.1892-0.1639 0.0000 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4953 -20.4953 -20.4074 -20.4074 -8.6745 -8.6745 -7.9740 -7.9740 -7.9616 -7.9616 -7.1353 -7.1353 -5.7609 -5.7609 -5.5356 -5.5356 -2.4295 -2.4295 -2.3440 -2.3440 -0.0150 -0.0150 0.9018 0.9018 1.0908 1.0908 1.6062 1.6062 1.7697 1.7697 1.7915 1.7915 5.0293 5.0293 k = 0.1757-0.1522 0.0000 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4965 -20.4965 -20.4063 -20.4063 -8.6598 -8.6598 -7.9644 -7.9644 -7.9611 -7.9611 -7.1528 -7.1528 -5.7749 -5.7749 -5.5506 -5.5506 -2.4315 -2.4315 -2.3436 -2.3436 0.0093 0.0093 0.9583 0.9583 1.0834 1.0834 1.6129 1.6129 1.7715 1.7715 1.7916 1.7916 4.9545 4.9545 k = 0.1622-0.1405 0.0000 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4976 -20.4976 -20.4053 -20.4053 -8.6454 -8.6454 -7.9651 -7.9651 -7.9506 -7.9506 -7.1698 -7.1698 -5.7882 -5.7882 -5.5650 -5.5650 -2.4335 -2.4335 -2.3433 -2.3433 0.0326 0.0326 1.0140 1.0140 1.0764 1.0764 1.6194 1.6194 1.7732 1.7732 1.7918 1.7918 4.8822 4.8822 k = 0.1486-0.1288 0.0000 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4987 -20.4987 -20.4043 -20.4043 -8.6314 -8.6314 -7.9665 -7.9665 -7.9398 -7.9398 -7.1863 -7.1863 -5.8008 -5.8008 -5.5787 -5.5787 -2.4353 -2.4353 -2.3430 -2.3430 0.0548 0.0548 1.0682 1.0682 1.0699 1.0699 1.6255 1.6255 1.7747 1.7747 1.7919 1.7919 4.8130 4.8130 k = 0.1351-0.1171 0.0000 ( 5932 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4997 -20.4997 -20.4034 -20.4034 -8.6178 -8.6178 -7.9680 -7.9680 -7.9296 -7.9296 -7.2019 -7.2019 -5.8125 -5.8125 -5.5916 -5.5916 -2.4370 -2.4370 -2.3427 -2.3427 0.0756 0.0756 1.0638 1.0638 1.1206 1.1206 1.6312 1.6312 1.7762 1.7762 1.7920 1.7920 4.7472 4.7472 k = 0.1216-0.1054 0.0000 ( 5934 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5006 -20.5006 -20.4026 -20.4026 -8.6050 -8.6050 -7.9695 -7.9695 -7.9200 -7.9200 -7.2168 -7.2168 -5.8234 -5.8234 -5.6036 -5.6036 -2.4386 -2.4386 -2.3425 -2.3425 0.0950 0.0950 1.0582 1.0582 1.1705 1.1705 1.6364 1.6364 1.7774 1.7774 1.7921 1.7921 4.6854 4.6854 k = 0.1081-0.0937 0.0000 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5015 -20.5015 -20.4019 -20.4019 -8.5930 -8.5930 -7.9709 -7.9709 -7.9111 -7.9111 -7.2305 -7.2305 -5.8333 -5.8333 -5.6146 -5.6146 -2.4400 -2.4400 -2.3423 -2.3423 0.1127 0.1127 1.0531 1.0531 1.2175 1.2175 1.6412 1.6412 1.7786 1.7786 1.7923 1.7923 4.6280 4.6280 k = 0.0946-0.0820 0.0000 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5023 -20.5023 -20.4012 -20.4012 -8.5819 -8.5819 -7.9723 -7.9723 -7.9031 -7.9031 -7.2431 -7.2431 -5.8421 -5.8421 -5.6246 -5.6246 -2.4413 -2.4413 -2.3421 -2.3421 0.1287 0.1287 1.0486 1.0486 1.2609 1.2609 1.6455 1.6455 1.7795 1.7795 1.7924 1.7924 4.5756 4.5756 k = 0.0811-0.0702 0.0000 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5029 -20.5029 -20.4006 -20.4006 -8.5719 -8.5719 -7.9735 -7.9735 -7.8960 -7.8960 -7.2543 -7.2543 -5.8499 -5.8499 -5.6333 -5.6333 -2.4424 -2.4424 -2.3419 -2.3419 0.1428 0.1428 1.0447 1.0447 1.3001 1.3001 1.6493 1.6493 1.7803 1.7803 1.7925 1.7925 4.5286 4.5286 k = 0.0676-0.0585 0.0000 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5035 -20.5035 -20.4001 -20.4001 -8.5632 -8.5632 -7.9746 -7.9746 -7.8899 -7.8899 -7.2641 -7.2641 -5.8566 -5.8566 -5.6409 -5.6409 -2.4433 -2.4433 -2.3418 -2.3418 0.1549 0.1549 1.0413 1.0413 1.3346 1.3346 1.6525 1.6525 1.7809 1.7809 1.7927 1.7927 4.4878 4.4878 k = 0.0541-0.0468 0.0000 ( 5937 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5040 -20.5040 -20.3997 -20.3997 -8.5559 -8.5559 -7.9756 -7.9756 -7.8848 -7.8848 -7.2722 -7.2722 -5.8621 -5.8621 -5.6471 -5.6471 -2.4441 -2.4441 -2.3417 -2.3417 0.1650 0.1650 1.0385 1.0385 1.3639 1.3639 1.6551 1.6551 1.7813 1.7813 1.7928 1.7928 4.4535 4.4535 k = 0.0405-0.0351 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5043 -20.5043 -20.3994 -20.3994 -8.5500 -8.5500 -7.9763 -7.9763 -7.8808 -7.8808 -7.2787 -7.2787 -5.8664 -5.8664 -5.6521 -5.6521 -2.4447 -2.4447 -2.3416 -2.3416 0.1729 0.1729 1.0363 1.0363 1.3872 1.3872 1.6572 1.6572 1.7816 1.7816 1.7929 1.7929 4.4262 4.4262 k = 0.0270-0.0234 0.0000 ( 5931 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5046 -20.5046 -20.3991 -20.3991 -8.5458 -8.5458 -7.9769 -7.9769 -7.8779 -7.8779 -7.2834 -7.2834 -5.8695 -5.8695 -5.6556 -5.6556 -2.4452 -2.4452 -2.3415 -2.3415 0.1786 0.1786 1.0348 1.0348 1.4042 1.4042 1.6587 1.6587 1.7818 1.7818 1.7929 1.7929 4.4065 4.4065 k = 0.0135-0.0117 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3990 -20.3990 -8.5432 -8.5432 -7.9773 -7.9773 -7.8762 -7.8762 -7.2862 -7.2862 -5.8713 -5.8713 -5.6577 -5.6577 -2.4454 -2.4454 -2.3415 -2.3415 0.1820 0.1820 1.0338 1.0338 1.4146 1.4146 1.6596 1.6596 1.7820 1.7820 1.7930 1.7930 4.3945 4.3945 k = 0.0000 0.0000 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3989 -20.3989 -8.5424 -8.5424 -7.9774 -7.9774 -7.8756 -7.8756 -7.2872 -7.2872 -5.8720 -5.8720 -5.6585 -5.6585 -2.4455 -2.4455 -2.3415 -2.3415 0.1831 0.1831 1.0335 1.0335 1.4181 1.4181 1.6599 1.6599 1.7820 1.7820 1.7930 1.7930 4.3904 4.3904 k = 0.0000 0.0000 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3989 -20.3989 -8.5424 -8.5424 -7.9774 -7.9774 -7.8756 -7.8756 -7.2872 -7.2872 -5.8720 -5.8720 -5.6585 -5.6585 -2.4455 -2.4455 -2.3415 -2.3415 0.1831 0.1831 1.0335 1.0335 1.4181 1.4181 1.6599 1.6599 1.7820 1.7820 1.7930 1.7930 4.3904 4.3904 k = 0.0172 0.0025-0.0020 ( 5937 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3990 -20.3990 -8.5423 -8.5423 -7.9826 -7.9826 -7.8706 -7.8706 -7.2876 -7.2876 -5.8709 -5.8709 -5.6581 -5.6581 -2.4454 -2.4454 -2.3415 -2.3415 0.1833 0.1833 1.0329 1.0329 1.4166 1.4166 1.6590 1.6590 1.7819 1.7819 1.7918 1.7918 4.3939 4.3939 k = 0.0345 0.0050-0.0040 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5045 -20.5045 -20.3992 -20.3992 -8.5421 -8.5421 -7.9960 -7.9960 -7.8582 -7.8582 -7.2889 -7.2889 -5.8679 -5.8679 -5.6568 -5.6568 -2.4452 -2.4452 -2.3416 -2.3416 0.1837 0.1837 1.0310 1.0310 1.4119 1.4119 1.6564 1.6564 1.7813 1.7813 1.7885 1.7885 4.4044 4.4044 k = 0.0517 0.0074-0.0060 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5041 -20.5041 -20.3996 -20.3996 -8.5419 -8.5419 -8.0139 -8.0139 -7.8417 -7.8417 -7.2911 -7.2911 -5.8628 -5.8628 -5.6548 -5.6548 -2.4447 -2.4447 -2.3418 -2.3418 0.1845 0.1845 1.0280 1.0280 1.4042 1.4042 1.6518 1.6518 1.7782 1.7782 1.7855 1.7855 4.4216 4.4216 k = 0.0690 0.0099-0.0079 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5036 -20.5036 -20.4001 -20.4001 -8.5415 -8.5415 -8.0341 -8.0341 -7.8237 -7.8237 -7.2940 -7.2940 -5.8558 -5.8558 -5.6520 -5.6520 -2.4441 -2.4441 -2.3421 -2.3421 0.1855 0.1855 1.0238 1.0238 1.3934 1.3934 1.6453 1.6453 1.7710 1.7710 1.7849 1.7849 4.4454 4.4454 k = 0.0862 0.0124-0.0099 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5029 -20.5029 -20.4008 -20.4008 -8.5410 -8.5410 -8.0553 -8.0553 -7.8052 -7.8052 -7.2976 -7.2976 -5.8470 -5.8470 -5.6485 -5.6485 -2.4433 -2.4433 -2.3425 -2.3425 0.1868 0.1868 1.0186 1.0186 1.3793 1.3793 1.6365 1.6365 1.7618 1.7618 1.7850 1.7850 4.4754 4.4754 k = 0.1034 0.0149-0.0119 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5021 -20.5021 -20.4016 -20.4016 -8.5405 -8.5405 -8.0771 -8.0771 -7.7868 -7.7868 -7.3018 -7.3018 -5.8366 -5.8366 -5.6442 -5.6442 -2.4423 -2.4423 -2.3429 -2.3429 0.1883 0.1883 1.0126 1.0126 1.3621 1.3621 1.6255 1.6255 1.7520 1.7520 1.7854 1.7854 4.5113 4.5113 k = 0.1207 0.0174-0.0139 ( 5944 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5011 -20.5011 -20.4025 -20.4025 -8.5398 -8.5398 -8.0990 -8.0990 -7.7690 -7.7690 -7.3064 -7.3064 -5.8246 -5.8246 -5.6393 -5.6393 -2.4412 -2.4412 -2.3434 -2.3434 0.1902 0.1902 1.0057 1.0057 1.3417 1.3417 1.6120 1.6120 1.7422 1.7422 1.7858 1.7858 4.5526 4.5526 k = 0.1379 0.0199-0.0159 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5000 -20.5000 -20.4036 -20.4036 -8.5390 -8.5390 -8.1208 -8.1208 -7.7520 -7.7520 -7.3112 -7.3112 -5.8112 -5.8112 -5.6337 -5.6337 -2.4399 -2.4399 -2.3440 -2.3440 0.1922 0.1922 0.9983 0.9983 1.3182 1.3182 1.5963 1.5963 1.7329 1.7329 1.7862 1.7862 4.5990 4.5990 k = 0.1552 0.0223-0.0179 ( 5941 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4988 -20.4988 -20.4048 -20.4048 -8.5382 -8.5382 -8.1422 -8.1422 -7.7359 -7.7359 -7.3162 -7.3162 -5.7967 -5.7967 -5.6275 -5.6275 -2.4384 -2.4384 -2.3447 -2.3447 0.1945 0.1945 0.9904 0.9904 1.2918 1.2918 1.5785 1.5785 1.7245 1.7245 1.7866 1.7866 4.6500 4.6500 k = 0.1724 0.0248-0.0199 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4974 -20.4974 -20.4061 -20.4061 -8.5374 -8.5374 -8.1633 -8.1633 -7.7210 -7.7210 -7.3211 -7.3211 -5.7811 -5.7811 -5.6208 -5.6208 -2.4368 -2.4368 -2.3454 -2.3454 0.1971 0.1971 0.9823 0.9823 1.2627 1.2627 1.5590 1.5590 1.7169 1.7169 1.7870 1.7870 4.7052 4.7052 k = 0.1897 0.0273-0.0219 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4959 -20.4959 -20.4075 -20.4075 -8.5365 -8.5365 -8.1838 -8.1838 -7.7073 -7.7073 -7.3259 -7.3259 -5.7648 -5.7648 -5.6137 -5.6137 -2.4351 -2.4351 -2.3463 -2.3463 0.1998 0.1998 0.9739 0.9739 1.2313 1.2313 1.5383 1.5383 1.7101 1.7101 1.7873 1.7873 4.7641 4.7641 k = 0.2069 0.0298-0.0238 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4942 -20.4942 -20.4091 -20.4091 -8.5355 -8.5355 -8.2037 -8.2037 -7.6949 -7.6949 -7.3304 -7.3304 -5.7479 -5.7479 -5.6063 -5.6063 -2.4332 -2.4332 -2.3472 -2.3472 0.2027 0.2027 0.9656 0.9656 1.1980 1.1980 1.5167 1.5167 1.7041 1.7041 1.7876 1.7876 4.8265 4.8265 k = 0.2241 0.0323-0.0258 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4925 -20.4925 -20.4108 -20.4108 -8.5346 -8.5346 -8.2228 -8.2228 -7.6839 -7.6839 -7.3344 -7.3344 -5.7306 -5.7306 -5.5985 -5.5985 -2.4311 -2.4311 -2.3482 -2.3482 0.2059 0.2059 0.9572 0.9572 1.1634 1.1634 1.4944 1.4944 1.6987 1.6987 1.7878 1.7878 4.8918 4.8918 k = 0.2414 0.0347-0.0278 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4906 -20.4906 -20.4126 -20.4126 -8.5336 -8.5336 -8.2411 -8.2411 -7.6744 -7.6744 -7.3378 -7.3378 -5.7130 -5.7130 -5.5906 -5.5906 -2.4290 -2.4290 -2.3493 -2.3493 0.2093 0.2093 0.9489 0.9489 1.1281 1.1281 1.4719 1.4719 1.6938 1.6938 1.7879 1.7879 4.9598 4.9598 k = 0.2586 0.0372-0.0298 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4887 -20.4887 -20.4145 -20.4145 -8.5327 -8.5327 -8.2585 -8.2585 -7.6663 -7.6663 -7.3407 -7.3407 -5.6955 -5.6955 -5.5826 -5.5826 -2.4268 -2.4268 -2.3506 -2.3506 0.2128 0.2128 0.9402 0.9402 1.0930 1.0930 1.4493 1.4493 1.6893 1.6893 1.7881 1.7881 5.0301 5.0301 k = 0.2759 0.0397-0.0318 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4866 -20.4866 -20.4165 -20.4165 -8.5317 -8.5317 -8.2750 -8.2750 -7.6595 -7.6595 -7.3429 -7.3429 -5.6782 -5.6782 -5.5746 -5.5746 -2.4244 -2.4244 -2.3519 -2.3519 0.2167 0.2167 0.9308 0.9308 1.0591 1.0591 1.4268 1.4268 1.6852 1.6852 1.7882 1.7882 5.1024 5.1024 k = 0.2931 0.0422-0.0338 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4845 -20.4845 -20.4185 -20.4185 -8.5308 -8.5308 -8.2905 -8.2905 -7.6541 -7.6541 -7.3445 -7.3445 -5.6612 -5.6612 -5.5667 -5.5667 -2.4220 -2.4220 -2.3533 -2.3533 0.2207 0.2207 0.9195 0.9195 1.0282 1.0282 1.4045 1.4045 1.6815 1.6815 1.7882 1.7882 5.1765 5.1765 k = 0.3103 0.0447-0.0358 ( 5947 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4823 -20.4823 -20.4207 -20.4207 -8.5300 -8.5300 -8.3049 -8.3049 -7.6498 -7.6498 -7.3455 -7.3455 -5.6448 -5.6448 -5.5592 -5.5592 -2.4195 -2.4195 -2.3547 -2.3547 0.2250 0.2250 0.9047 0.9047 1.0024 1.0024 1.3827 1.3827 1.6781 1.6781 1.7882 1.7882 5.2521 5.2521 k = 0.3276 0.0472-0.0377 ( 5945 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4800 -20.4800 -20.4229 -20.4229 -8.5292 -8.5292 -8.3181 -8.3181 -7.6467 -7.6467 -7.3460 -7.3460 -5.6290 -5.6290 -5.5519 -5.5519 -2.4170 -2.4170 -2.3563 -2.3563 0.2295 0.2295 0.8849 0.8849 0.9837 0.9837 1.3614 1.3614 1.6749 1.6749 1.7882 1.7882 5.3289 5.3289 k = 0.3448 0.0496-0.0397 ( 5948 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4777 -20.4777 -20.4252 -20.4252 -8.5284 -8.5284 -8.3302 -8.3302 -7.6444 -7.6444 -7.3460 -7.3460 -5.6141 -5.6141 -5.5451 -5.5451 -2.4144 -2.4144 -2.3579 -2.3579 0.2342 0.2342 0.8606 0.8606 0.9718 0.9718 1.3410 1.3410 1.6721 1.6721 1.7882 1.7882 5.4068 5.4068 k = 0.3621 0.0521-0.0417 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4753 -20.4753 -20.4275 -20.4275 -8.5278 -8.5278 -8.3412 -8.3412 -7.6429 -7.6429 -7.3457 -7.3457 -5.6002 -5.6002 -5.5389 -5.5389 -2.4119 -2.4119 -2.3596 -2.3596 0.2391 0.2391 0.8340 0.8340 0.9652 0.9652 1.3215 1.3215 1.6696 1.6696 1.7882 1.7882 5.4855 5.4855 k = 0.3793 0.0546-0.0437 ( 5951 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4729 -20.4729 -20.4298 -20.4298 -8.5272 -8.5272 -8.3509 -8.3509 -7.6420 -7.6420 -7.3451 -7.3451 -5.5873 -5.5873 -5.5334 -5.5334 -2.4094 -2.4094 -2.3613 -2.3613 0.2441 0.2441 0.8071 0.8071 0.9619 0.9619 1.3032 1.3032 1.6673 1.6673 1.7882 1.7882 5.5648 5.5648 k = 0.3966 0.0571-0.0457 ( 5958 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4706 -20.4706 -20.4321 -20.4321 -8.5267 -8.5267 -8.3593 -8.3593 -7.6416 -7.6416 -7.3444 -7.3444 -5.5758 -5.5758 -5.5286 -5.5286 -2.4069 -2.4069 -2.3630 -2.3630 0.2490 0.2490 0.7816 0.7816 0.9608 0.9608 1.2865 1.2865 1.6654 1.6654 1.7881 1.7881 5.6445 5.6445 k = 0.4138 0.0596-0.0477 ( 5954 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4683 -20.4683 -20.4343 -20.4343 -8.5262 -8.5262 -8.3665 -8.3665 -7.6414 -7.6414 -7.3436 -7.3436 -5.5656 -5.5656 -5.5247 -5.5247 -2.4046 -2.4046 -2.3647 -2.3647 0.2538 0.2538 0.7584 0.7584 0.9610 0.9610 1.2714 1.2714 1.6637 1.6637 1.7881 1.7881 5.7244 5.7244 k = 0.4310 0.0620-0.0497 ( 5954 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4661 -20.4661 -20.4365 -20.4365 -8.5259 -8.5259 -8.3724 -8.3724 -7.6415 -7.6415 -7.3429 -7.3429 -5.5568 -5.5568 -5.5216 -5.5216 -2.4025 -2.4025 -2.3663 -2.3663 0.2582 0.2582 0.7383 0.7383 0.9620 0.9620 1.2585 1.2585 1.6623 1.6623 1.7880 1.7880 5.8043 5.8043 k = 0.4483 0.0645-0.0516 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4642 -20.4642 -20.4384 -20.4384 -8.5256 -8.5256 -8.3769 -8.3769 -7.6416 -7.6416 -7.3422 -7.3422 -5.5497 -5.5497 -5.5194 -5.5194 -2.4007 -2.4007 -2.3677 -2.3677 0.2620 0.2620 0.7219 0.7219 0.9634 0.9634 1.2480 1.2480 1.6613 1.6613 1.7880 1.7880 5.8841 5.8841 k = 0.4655 0.0670-0.0536 ( 5957 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4625 -20.4625 -20.4401 -20.4401 -8.5255 -8.5255 -8.3802 -8.3802 -7.6418 -7.6418 -7.3417 -7.3417 -5.5443 -5.5443 -5.5180 -5.5180 -2.3993 -2.3993 -2.3688 -2.3688 0.2649 0.2649 0.7098 0.7098 0.9647 0.9647 1.2402 1.2402 1.6605 1.6605 1.7880 1.7880 5.9636 5.9636 k = 0.4828 0.0695-0.0556 ( 5955 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4614 -20.4614 -20.4412 -20.4412 -8.5253 -8.5253 -8.3822 -8.3822 -7.6419 -7.6419 -7.3414 -7.3414 -5.5410 -5.5410 -5.5172 -5.5172 -2.3984 -2.3984 -2.3696 -2.3696 0.2668 0.2668 0.7024 0.7024 0.9656 0.9656 1.2354 1.2354 1.6600 1.6600 1.7880 1.7880 6.0425 6.0425 k = 0.5000 0.0720-0.0576 ( 5952 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.4610 -20.4610 -20.4416 -20.4416 -8.5253 -8.5253 -8.3828 -8.3828 -7.6419 -7.6419 -7.3413 -7.3413 -5.5399 -5.5399 -5.5170 -5.5170 -2.3981 -2.3981 -2.3698 -2.3698 0.2674 0.2674 0.6999 0.6999 0.9659 0.9659 1.2337 1.2337 1.6599 1.6599 1.7879 1.7879 6.1157 6.1157 k = 0.5000 0.0720 0.7280 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4269 -20.4269 -20.4081 -20.4081 -8.2577 -8.2577 -8.1986 -8.1986 -7.3570 -7.3570 -6.9723 -6.9723 -5.8089 -5.8089 -5.5256 -5.5256 -2.9904 -2.9904 -2.8883 -2.8883 -0.3492 -0.3492 -0.1953 -0.1953 0.6567 0.6567 1.3180 1.3180 1.4254 1.4254 1.5302 1.5302 6.5179 6.5179 k = 0.4900 0.0705 0.7135 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4271 -20.4271 -20.4080 -20.4080 -8.2594 -8.2594 -8.1971 -8.1971 -7.3579 -7.3579 -6.9724 -6.9724 -5.8088 -5.8088 -5.5256 -5.5256 -2.9898 -2.9898 -2.8878 -2.8878 -0.3483 -0.3483 -0.1935 -0.1935 0.6558 0.6558 1.3181 1.3181 1.4245 1.4245 1.5306 1.5306 6.5177 6.5177 k = 0.4800 0.0691 0.6989 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2201 -40.2201 -20.4276 -20.4276 -20.4077 -20.4077 -8.2641 -8.2641 -8.1929 -8.1929 -7.3604 -7.3604 -6.9726 -6.9726 -5.8083 -5.8083 -5.5256 -5.5256 -2.9881 -2.9881 -2.8863 -2.8863 -0.3457 -0.3457 -0.1882 -0.1882 0.6531 0.6531 1.3185 1.3185 1.4218 1.4218 1.5316 1.5316 6.5170 6.5170 k = 0.4700 0.0677 0.6843 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4283 -20.4283 -20.4073 -20.4073 -8.2707 -8.2707 -8.1871 -8.1871 -7.3645 -7.3645 -6.9731 -6.9731 -5.8076 -5.8076 -5.5256 -5.5256 -2.9853 -2.9853 -2.8837 -2.8837 -0.3412 -0.3412 -0.1794 -0.1794 0.6486 0.6486 1.3189 1.3189 1.4175 1.4175 1.5333 1.5333 6.5158 6.5158 k = 0.4600 0.0662 0.6698 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4294 -20.4294 -20.4067 -20.4067 -8.2787 -8.2787 -8.1802 -8.1802 -7.3701 -7.3701 -6.9739 -6.9739 -5.8066 -5.8066 -5.5257 -5.5257 -2.9813 -2.9813 -2.8802 -2.8802 -0.3348 -0.3348 -0.1673 -0.1673 0.6425 0.6425 1.3194 1.3194 1.4119 1.4119 1.5355 1.5355 6.5139 6.5139 k = 0.4500 0.0648 0.6552 ( 5936 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2395 -40.2395 -40.2200 -40.2200 -20.4306 -20.4306 -20.4061 -20.4061 -8.2875 -8.2875 -8.1729 -8.1729 -7.3772 -7.3772 -6.9749 -6.9749 -5.8053 -5.8053 -5.5258 -5.5258 -2.9761 -2.9761 -2.8757 -2.8757 -0.3263 -0.3263 -0.1519 -0.1519 0.6347 0.6347 1.3197 1.3197 1.4053 1.4053 1.5380 1.5380 6.5108 6.5108 k = 0.4400 0.0633 0.6407 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4321 -20.4321 -20.4054 -20.4054 -8.2968 -8.2968 -8.1653 -8.1653 -7.3857 -7.3857 -6.9763 -6.9763 -5.8039 -5.8039 -5.5259 -5.5259 -2.9698 -2.9698 -2.8703 -2.8703 -0.3157 -0.3157 -0.1334 -0.1334 0.6254 0.6254 1.3196 1.3196 1.3980 1.3980 1.5408 1.5408 6.5064 6.5064 k = 0.4300 0.0619 0.6261 ( 5934 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4336 -20.4336 -20.4047 -20.4047 -8.3063 -8.3063 -8.1577 -8.1577 -7.3953 -7.3953 -6.9781 -6.9781 -5.8022 -5.8022 -5.5262 -5.5262 -2.9624 -2.9624 -2.8640 -2.8640 -0.3029 -0.3029 -0.1119 -0.1119 0.6148 0.6148 1.3187 1.3187 1.3905 1.3905 1.5438 1.5438 6.5003 6.5003 k = 0.4200 0.0605 0.6115 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5187 -40.5187 -40.2394 -40.2394 -40.2200 -40.2200 -20.4353 -20.4353 -20.4039 -20.4039 -8.3161 -8.3161 -8.1502 -8.1502 -7.4060 -7.4060 -6.9804 -6.9804 -5.8005 -5.8005 -5.5265 -5.5265 -2.9539 -2.9539 -2.8568 -2.8568 -0.2877 -0.2877 -0.0875 -0.0875 0.6029 0.6029 1.3168 1.3168 1.3834 1.3834 1.5471 1.5471 6.4919 6.4919 k = 0.4100 0.0590 0.5970 ( 5929 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2200 -40.2200 -20.4371 -20.4371 -20.4032 -20.4032 -8.3260 -8.3260 -8.1429 -8.1429 -7.4177 -7.4177 -6.9833 -6.9833 -5.7986 -5.7986 -5.5269 -5.5269 -2.9443 -2.9443 -2.8489 -2.8489 -0.2700 -0.2700 -0.0603 -0.0603 0.5899 0.5899 1.3133 1.3133 1.3771 1.3771 1.5505 1.5505 6.4811 6.4811 k = 0.4000 0.0576 0.5824 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4390 -20.4390 -20.4026 -20.4026 -8.3359 -8.3359 -8.1357 -8.1357 -7.4302 -7.4302 -6.9867 -6.9867 -5.7967 -5.7967 -5.5275 -5.5275 -2.9336 -2.9336 -2.8402 -2.8402 -0.2499 -0.2499 -0.0306 -0.0306 0.5760 0.5760 1.3079 1.3079 1.3719 1.3719 1.5541 1.5541 6.4673 6.4673 k = 0.3900 0.0561 0.5679 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4410 -20.4410 -20.4019 -20.4019 -8.3459 -8.3459 -8.1287 -8.1287 -7.4434 -7.4434 -6.9907 -6.9907 -5.7948 -5.7948 -5.5282 -5.5282 -2.9219 -2.9219 -2.8308 -2.8308 -0.2273 -0.2273 0.0017 0.0017 0.5612 0.5612 1.3005 1.3005 1.3681 1.3681 1.5580 1.5580 6.4502 6.4502 k = 0.3800 0.0547 0.5533 ( 5928 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4431 -20.4431 -20.4013 -20.4013 -8.3558 -8.3558 -8.1220 -8.1220 -7.4572 -7.4572 -6.9953 -6.9953 -5.7930 -5.7930 -5.5291 -5.5291 -2.9092 -2.9092 -2.8207 -2.8207 -0.2020 -0.2020 0.0365 0.0365 0.5459 0.5459 1.2914 1.2914 1.3655 1.3655 1.5621 1.5621 6.4296 6.4296 k = 0.3700 0.0533 0.5387 ( 5936 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2199 -40.2199 -20.4452 -20.4452 -20.4007 -20.4007 -8.3656 -8.3656 -8.1156 -8.1156 -7.4714 -7.4714 -7.0006 -7.0006 -5.7913 -5.7913 -5.5302 -5.5302 -2.8954 -2.8954 -2.8101 -2.8101 -0.1742 -0.1742 0.0736 0.0736 0.5300 0.5300 1.2811 1.2811 1.3638 1.3638 1.5665 1.5665 6.4052 6.4052 k = 0.3600 0.0518 0.5242 ( 5935 PWs) bands (ev): -73.5722 -73.5722 -40.5186 -40.5186 -40.2394 -40.2394 -40.2198 -40.2198 -20.4473 -20.4473 -20.4002 -20.4002 -8.3753 -8.3753 -8.1094 -8.1094 -7.4860 -7.4860 -7.0065 -7.0065 -5.7898 -5.7898 -5.5315 -5.5315 -2.8808 -2.8808 -2.7989 -2.7989 -0.1439 -0.1439 0.1130 0.1130 0.5138 0.5138 1.2698 1.2698 1.3626 1.3626 1.5712 1.5712 6.3769 6.3769 k = 0.3500 0.0504 0.5096 ( 5933 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2198 -40.2198 -20.4495 -20.4495 -20.3997 -20.3997 -8.3849 -8.3849 -8.1035 -8.1035 -7.5009 -7.5009 -7.0130 -7.0130 -5.7885 -5.7885 -5.5330 -5.5330 -2.8652 -2.8652 -2.7873 -2.7873 -0.1110 -0.1110 0.1546 0.1546 0.4975 0.4975 1.2579 1.2579 1.3618 1.3618 1.5761 1.5761 6.3445 6.3445 k = 0.3400 0.0489 0.4951 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2198 -40.2198 -20.4517 -20.4517 -20.3993 -20.3993 -8.3942 -8.3942 -8.0979 -8.0979 -7.5159 -7.5159 -7.0202 -7.0202 -5.7874 -5.7874 -5.5348 -5.5348 -2.8488 -2.8488 -2.7752 -2.7752 -0.0756 -0.0756 0.1983 0.1983 0.4812 0.4812 1.2457 1.2457 1.3612 1.3612 1.5814 1.5814 6.3080 6.3080 k = 0.3300 0.0475 0.4805 ( 5932 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4540 -20.4540 -20.3989 -20.3989 -8.4034 -8.4034 -8.0925 -8.0925 -7.5310 -7.5310 -7.0279 -7.0279 -5.7867 -5.7867 -5.5368 -5.5368 -2.8316 -2.8316 -2.7628 -2.7628 -0.0378 -0.0378 0.2439 0.2439 0.4651 0.4651 1.2333 1.2333 1.3607 1.3607 1.5869 1.5869 6.2675 6.2675 k = 0.3200 0.0461 0.4659 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5185 -40.5185 -40.2393 -40.2393 -40.2197 -40.2197 -20.4562 -20.4562 -20.3986 -20.3986 -8.4124 -8.4124 -8.0874 -8.0874 -7.5461 -7.5461 -7.0361 -7.0361 -5.7863 -5.7863 -5.5391 -5.5391 -2.8137 -2.8137 -2.7500 -2.7500 0.0023 0.0023 0.2914 0.2914 0.4495 0.4495 1.2209 1.2209 1.3604 1.3604 1.5927 1.5927 6.2231 6.2231 k = 0.3100 0.0446 0.4514 ( 5929 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2393 -40.2393 -40.2196 -40.2196 -20.4585 -20.4585 -20.3983 -20.3983 -8.4212 -8.4212 -8.0826 -8.0826 -7.5612 -7.5612 -7.0448 -7.0448 -5.7863 -5.7863 -5.5417 -5.5417 -2.7951 -2.7951 -2.7370 -2.7370 0.0444 0.0444 0.3405 0.3405 0.4348 0.4348 1.2087 1.2087 1.3602 1.3602 1.5986 1.5986 6.1749 6.1749 k = 0.3000 0.0432 0.4368 ( 5931 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2196 -40.2196 -20.4608 -20.4608 -20.3980 -20.3980 -8.4296 -8.4296 -8.0780 -8.0780 -7.5762 -7.5762 -7.0540 -7.0540 -5.7866 -5.7866 -5.5446 -5.5446 -2.7760 -2.7760 -2.7238 -2.7238 0.0881 0.0881 0.3898 0.3898 0.4227 0.4227 1.1967 1.1967 1.3602 1.3602 1.6048 1.6048 6.1231 6.1231 k = 0.2900 0.0417 0.4223 ( 5930 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2196 -40.2196 -20.4631 -20.4631 -20.3978 -20.3978 -8.4378 -8.4378 -8.0736 -8.0736 -7.5911 -7.5911 -7.0636 -7.0636 -5.7874 -5.7874 -5.5478 -5.5478 -2.7564 -2.7564 -2.7104 -2.7104 0.1329 0.1329 0.4057 0.4057 0.4473 0.4473 1.1849 1.1849 1.3604 1.3604 1.6111 1.6111 6.0680 6.0680 k = 0.2800 0.0403 0.4077 ( 5936 PWs) bands (ev): -73.5722 -73.5722 -40.5184 -40.5184 -40.2392 -40.2392 -40.2195 -40.2195 -20.4654 -20.4654 -20.3976 -20.3976 -8.4457 -8.4457 -8.0695 -8.0695 -7.6057 -7.6057 -7.0736 -7.0736 -5.7885 -5.7885 -5.5512 -5.5512 -2.7363 -2.7363 -2.6969 -2.6969 0.1774 0.1774 0.3978 0.3978 0.5003 0.5003 1.1735 1.1735 1.3608 1.3608 1.6175 1.6175 6.0098 6.0098 k = 0.2700 0.0389 0.3931 ( 5938 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2392 -40.2392 -40.2195 -40.2195 -20.4677 -20.4677 -20.3975 -20.3975 -8.4533 -8.4533 -8.0655 -8.0655 -7.6202 -7.6202 -7.0838 -7.0838 -5.7900 -5.7900 -5.5549 -5.5549 -2.7160 -2.7160 -2.6833 -2.6833 0.2190 0.2190 0.3947 0.3947 0.5556 0.5556 1.1626 1.1626 1.3614 1.3614 1.6239 1.6239 5.9488 5.9488 k = 0.2600 0.0374 0.3786 ( 5927 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2392 -40.2392 -40.2194 -40.2194 -20.4699 -20.4699 -20.3973 -20.3973 -8.4606 -8.4606 -8.0618 -8.0618 -7.6344 -7.6344 -7.0943 -7.0943 -5.7920 -5.7920 -5.5588 -5.5588 -2.6954 -2.6954 -2.6696 -2.6696 0.2524 0.2524 0.4022 0.4022 0.6123 0.6123 1.1520 1.1520 1.3624 1.3624 1.6304 1.6304 5.8851 5.8851 k = 0.2500 0.0360 0.3640 ( 5923 PWs) bands (ev): -73.5722 -73.5722 -40.5183 -40.5183 -40.2391 -40.2391 -40.2194 -40.2194 -20.4722 -20.4722 -20.3973 -20.3973 -8.4676 -8.4676 -8.0581 -8.0581 -7.6483 -7.6483 -7.1050 -7.1050 -5.7943 -5.7943 -5.5630 -5.5630 -2.6746 -2.6746 -2.6560 -2.6560 0.2716 0.2716 0.4266 0.4266 0.6701 0.6701 1.1420 1.1420 1.3637 1.3637 1.6370 1.6370 5.8192 5.8192 k = 0.2400 0.0345 0.3494 ( 5921 PWs) bands (ev): -73.5722 -73.5722 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4744 -20.4744 -20.3972 -20.3972 -8.4742 -8.4742 -8.0546 -8.0546 -7.6620 -7.6620 -7.1158 -7.1158 -5.7970 -5.7970 -5.5674 -5.5674 -2.6539 -2.6539 -2.6424 -2.6424 0.2770 0.2770 0.4672 0.4672 0.7287 0.7287 1.1326 1.1326 1.3653 1.3653 1.6435 1.6435 5.7512 5.7512 k = 0.2300 0.0331 0.3349 ( 5923 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4765 -20.4765 -20.3972 -20.3972 -8.4805 -8.4805 -8.0512 -8.0512 -7.6754 -7.6754 -7.1267 -7.1267 -5.8000 -5.8000 -5.5721 -5.5721 -2.6336 -2.6336 -2.6285 -2.6285 0.2745 0.2745 0.5180 0.5180 0.7881 0.7881 1.1237 1.1237 1.3673 1.3673 1.6500 1.6500 5.6815 5.6815 k = 0.2200 0.0317 0.3203 ( 5930 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2193 -40.2193 -20.4787 -20.4787 -20.3972 -20.3972 -8.4865 -8.4865 -8.0479 -8.0479 -7.6885 -7.6885 -7.1376 -7.1376 -5.8034 -5.8034 -5.5769 -5.5769 -2.6169 -2.6169 -2.6114 -2.6114 0.2685 0.2685 0.5747 0.5747 0.8479 0.8479 1.1155 1.1155 1.3696 1.3696 1.6564 1.6564 5.6103 5.6103 k = 0.2100 0.0302 0.3058 ( 5924 PWs) bands (ev): -73.5723 -73.5723 -40.5182 -40.5182 -40.2391 -40.2391 -40.2192 -40.2192 -20.4807 -20.4807 -20.3972 -20.3972 -8.4921 -8.4921 -8.0446 -8.0446 -7.7012 -7.7012 -7.1484 -7.1484 -5.8069 -5.8069 -5.5818 -5.5818 -2.6034 -2.6034 -2.5913 -2.5913 0.2611 0.2611 0.6348 0.6348 0.9077 0.9077 1.1082 1.1082 1.3723 1.3723 1.6628 1.6628 5.5380 5.5380 k = 0.2000 0.0288 0.2912 ( 5924 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2391 -40.2391 -40.2192 -40.2192 -20.4828 -20.4828 -20.3973 -20.3973 -8.4974 -8.4974 -8.0414 -8.0414 -7.7137 -7.7137 -7.1592 -7.1592 -5.8108 -5.8108 -5.5869 -5.5869 -2.5906 -2.5906 -2.5713 -2.5713 0.2533 0.2533 0.6973 0.6973 0.9669 0.9669 1.1023 1.1023 1.3754 1.3754 1.6690 1.6690 5.4647 5.4647 k = 0.1900 0.0273 0.2766 ( 5929 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2191 -40.2191 -20.4847 -20.4847 -20.3974 -20.3974 -8.5023 -8.5023 -8.0382 -8.0382 -7.7258 -7.7258 -7.1699 -7.1699 -5.8148 -5.8148 -5.5921 -5.5921 -2.5781 -2.5781 -2.5516 -2.5516 0.2455 0.2455 0.7612 0.7612 1.0231 1.0231 1.0999 1.0999 1.3789 1.3789 1.6752 1.6752 5.3907 5.3907 k = 0.1800 0.0259 0.2621 ( 5926 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2191 -40.2191 -20.4866 -20.4866 -20.3974 -20.3974 -8.5069 -8.5069 -8.0349 -8.0349 -7.7377 -7.7377 -7.1803 -7.1803 -5.8189 -5.8189 -5.5973 -5.5973 -2.5659 -2.5659 -2.5323 -2.5323 0.2380 0.2380 0.8261 0.8261 1.0629 1.0629 1.1143 1.1143 1.3827 1.3827 1.6813 1.6813 5.3165 5.3165 k = 0.1700 0.0245 0.2475 ( 5926 PWs) bands (ev): -73.5723 -73.5723 -40.5181 -40.5181 -40.2390 -40.2390 -40.2190 -40.2190 -20.4885 -20.4885 -20.3975 -20.3975 -8.5112 -8.5112 -8.0316 -8.0316 -7.7492 -7.7492 -7.1905 -7.1905 -5.8232 -5.8232 -5.6025 -5.6025 -2.5541 -2.5541 -2.5136 -2.5136 0.2310 0.2310 0.8914 0.8914 1.0705 1.0705 1.1608 1.1608 1.3869 1.3869 1.6872 1.6872 5.2422 5.2422 k = 0.1600 0.0230 0.2330 ( 5928 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2190 -40.2190 -20.4902 -20.4902 -20.3976 -20.3976 -8.5152 -8.5152 -8.0283 -8.0283 -7.7604 -7.7604 -7.2004 -7.2004 -5.8275 -5.8275 -5.6077 -5.6077 -2.5428 -2.5428 -2.4955 -2.4955 0.2244 0.2244 0.9564 0.9564 1.0691 1.0691 1.2166 1.2166 1.3915 1.3915 1.6931 1.6931 5.1681 5.1681 k = 0.1500 0.0216 0.2184 ( 5930 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2190 -40.2190 -20.4919 -20.4919 -20.3977 -20.3977 -8.5188 -8.5188 -8.0248 -8.0248 -7.7713 -7.7713 -7.2100 -7.2100 -5.8319 -5.8319 -5.6128 -5.6128 -2.5319 -2.5319 -2.4782 -2.4782 0.2185 0.2185 1.0183 1.0183 1.0688 1.0688 1.2733 1.2733 1.3966 1.3966 1.6988 1.6988 5.0947 5.0947 k = 0.1400 0.0202 0.2038 ( 5930 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4935 -20.4935 -20.3979 -20.3979 -8.5221 -8.5221 -8.0213 -8.0213 -7.7819 -7.7819 -7.2191 -7.2191 -5.8362 -5.8362 -5.6179 -5.6179 -2.5215 -2.5215 -2.4616 -2.4616 0.2130 0.2130 1.0519 1.0519 1.0959 1.0959 1.3290 1.3290 1.4023 1.4023 1.7044 1.7044 5.0223 5.0223 k = 0.1300 0.0187 0.1893 ( 5927 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2390 -40.2390 -40.2189 -40.2189 -20.4950 -20.4950 -20.3980 -20.3980 -8.5252 -8.5252 -8.0177 -8.0177 -7.7921 -7.7921 -7.2279 -7.2279 -5.8404 -5.8404 -5.6228 -5.6228 -2.5116 -2.5116 -2.4459 -2.4459 0.2082 0.2082 1.0527 1.0527 1.1543 1.1543 1.3825 1.3825 1.4095 1.4095 1.7099 1.7099 4.9512 4.9512 k = 0.1200 0.0173 0.1747 ( 5929 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2389 -40.2389 -40.2189 -40.2189 -20.4964 -20.4964 -20.3981 -20.3981 -8.5279 -8.5279 -8.0140 -8.0140 -7.8020 -7.8020 -7.2362 -7.2362 -5.8445 -5.8445 -5.6275 -5.6275 -2.5023 -2.5023 -2.4311 -2.4311 0.2039 0.2039 1.0502 1.0502 1.2135 1.2135 1.4139 1.4139 1.4380 1.4380 1.7154 1.7154 4.8819 4.8819 k = 0.1100 0.0158 0.1602 ( 5933 PWs) bands (ev): -73.5723 -73.5723 -40.5180 -40.5180 -40.2389 -40.2389 -40.2189 -40.2189 -20.4977 -20.4977 -20.3982 -20.3982 -8.5304 -8.5304 -8.0103 -8.0103 -7.8116 -7.8116 -7.2439 -7.2439 -5.8485 -5.8485 -5.6320 -5.6320 -2.4936 -2.4936 -2.4173 -2.4173 0.2000 0.2000 1.0475 1.0475 1.2690 1.2690 1.4247 1.4247 1.4871 1.4871 1.7208 1.7208 4.8149 4.8149 k = 0.1000 0.0144 0.1456 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.4989 -20.4989 -20.3983 -20.3983 -8.5326 -8.5326 -8.0064 -8.0064 -7.8207 -7.8207 -7.2511 -7.2511 -5.8522 -5.8522 -5.6363 -5.6363 -2.4856 -2.4856 -2.4046 -2.4046 0.1967 0.1967 1.0450 1.0450 1.3175 1.3175 1.4391 1.4391 1.5343 1.5343 1.7264 1.7264 4.7506 4.7506 k = 0.0900 0.0130 0.1310 ( 5940 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.5000 -20.5000 -20.3984 -20.3984 -8.5345 -8.5345 -8.0025 -8.0025 -7.8295 -7.8295 -7.2578 -7.2578 -5.8557 -5.8557 -5.6403 -5.6403 -2.4782 -2.4782 -2.3928 -2.3928 0.1938 0.1938 1.0427 1.0427 1.3548 1.3548 1.4612 1.4612 1.5784 1.5784 1.7321 1.7321 4.6896 4.6896 k = 0.0800 0.0115 0.1165 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.5010 -20.5010 -20.3985 -20.3985 -8.5362 -8.5362 -7.9986 -7.9986 -7.8377 -7.8377 -7.2638 -7.2638 -5.8590 -5.8590 -5.6439 -5.6439 -2.4715 -2.4715 -2.3823 -2.3823 0.1914 0.1914 1.0407 1.0407 1.3787 1.3787 1.4924 1.4924 1.6191 1.6191 1.7381 1.7381 4.6325 4.6325 k = 0.0700 0.0101 0.1019 ( 5936 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2188 -40.2188 -20.5019 -20.5019 -20.3986 -20.3986 -8.5377 -8.5377 -7.9947 -7.9947 -7.8455 -7.8455 -7.2691 -7.2691 -5.8619 -5.8619 -5.6472 -5.6472 -2.4655 -2.4655 -2.3728 -2.3728 0.1893 0.1893 1.0389 1.0389 1.3927 1.3927 1.5283 1.5283 1.6560 1.6560 1.7446 1.7446 4.5799 4.5799 k = 0.0600 0.0086 0.0874 ( 5938 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5027 -20.5027 -20.3987 -20.3987 -8.5390 -8.5390 -7.9909 -7.9909 -7.8526 -7.8526 -7.2739 -7.2739 -5.8645 -5.8645 -5.6501 -5.6501 -2.4603 -2.4603 -2.3646 -2.3646 0.1876 0.1876 1.0374 1.0374 1.4015 1.4015 1.5634 1.5634 1.6886 1.6886 1.7519 1.7519 4.5324 4.5324 k = 0.0500 0.0072 0.0728 ( 5941 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5033 -20.5033 -20.3988 -20.3988 -8.5400 -8.5400 -7.9874 -7.9874 -7.8590 -7.8590 -7.2779 -7.2779 -5.8667 -5.8667 -5.6526 -5.6526 -2.4558 -2.4558 -2.3576 -2.3576 0.1862 0.1862 1.0362 1.0362 1.4074 1.4074 1.5943 1.5943 1.7167 1.7167 1.7601 1.7601 4.4908 4.4908 k = 0.0400 0.0058 0.0582 ( 5943 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5039 -20.5039 -20.3988 -20.3988 -8.5409 -8.5409 -7.9841 -7.9841 -7.8646 -7.8646 -7.2812 -7.2812 -5.8686 -5.8686 -5.6547 -5.6547 -2.4521 -2.4521 -2.3518 -2.3518 0.1850 0.1850 1.0352 1.0352 1.4116 1.4116 1.6194 1.6194 1.7400 1.7400 1.7690 1.7690 4.4556 4.4556 k = 0.0300 0.0043 0.0437 ( 5942 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5043 -20.5043 -20.3989 -20.3989 -8.5415 -8.5415 -7.9813 -7.9813 -7.8692 -7.8692 -7.2838 -7.2838 -5.8700 -5.8700 -5.6563 -5.6563 -2.4493 -2.4493 -2.3473 -2.3473 0.1842 0.1842 1.0345 1.0345 1.4145 1.4145 1.6380 1.6380 1.7582 1.7582 1.7780 1.7780 4.4276 4.4276 k = 0.0200 0.0029 0.0291 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5046 -20.5046 -20.3989 -20.3989 -8.5420 -8.5420 -7.9792 -7.9792 -7.8727 -7.8727 -7.2857 -7.2857 -5.8711 -5.8711 -5.6575 -5.6575 -2.4472 -2.4472 -2.3441 -2.3441 0.1836 0.1836 1.0339 1.0339 1.4165 1.4165 1.6505 1.6505 1.7713 1.7713 1.7858 1.7858 4.4071 4.4071 k = 0.0100 0.0014 0.0146 ( 5939 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3989 -20.3989 -8.5423 -8.5423 -7.9778 -7.9778 -7.8748 -7.8748 -7.2868 -7.2868 -5.8717 -5.8717 -5.6582 -5.6582 -2.4459 -2.4459 -2.3421 -2.3421 0.1833 0.1833 1.0336 1.0336 1.4177 1.4177 1.6576 1.6576 1.7793 1.7793 1.7911 1.7911 4.3946 4.3946 k = 0.0000 0.0000 0.0000 ( 5935 PWs) bands (ev): -73.5723 -73.5723 -40.5179 -40.5179 -40.2389 -40.2389 -40.2187 -40.2187 -20.5048 -20.5048 -20.3989 -20.3989 -8.5424 -8.5424 -7.9774 -7.9774 -7.8756 -7.8756 -7.2872 -7.2872 -5.8720 -5.8720 -5.6585 -5.6585 -2.4455 -2.4455 -2.3415 -2.3415 0.1831 0.1831 1.0335 1.0335 1.4181 1.4181 1.6599 1.6599 1.7820 1.7820 1.7930 1.7930 4.3904 4.3904 Writing output data file MgH4xCOx2.save init_run : 0.26s CPU 0.53s WALL ( 1 calls) electrons : 115.80s CPU 119.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 115.80s CPU 119.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 337 calls) cegterg : 106.60s CPU 108.10s WALL ( 396 calls) Called by sum_band: Called by *egterg: h_psi : 62.02s CPU 63.40s WALL ( 6582 calls) s_psi : 1.39s CPU 1.50s WALL ( 6582 calls) g_psi : 0.22s CPU 0.25s WALL ( 5849 calls) cdiaghg : 35.84s CPU 36.10s WALL ( 6186 calls) cegterg:over : 4.82s CPU 4.98s WALL ( 5849 calls) cegterg:upda : 5.34s CPU 5.21s WALL ( 5849 calls) cegterg:last : 2.36s CPU 2.39s WALL ( 1070 calls) cdiaghg:chol : 1.96s CPU 2.02s WALL ( 6186 calls) cdiaghg:inve : 1.13s CPU 1.18s WALL ( 6186 calls) cdiaghg:para : 2.02s CPU 1.98s WALL ( 12372 calls) Called by h_psi: h_psi:vloc : 57.20s CPU 58.49s WALL ( 6582 calls) h_psi:vnl : 4.60s CPU 4.65s WALL ( 6582 calls) add_vuspsi : 1.73s CPU 1.74s WALL ( 6582 calls) General routines calbec : 2.84s CPU 2.89s WALL ( 6582 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.37s CPU 53.65s WALL ( 606080 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.35s WALL ( 674 calls) Parallel routines fft_scatter : 20.24s CPU 20.84s WALL ( 606103 calls) PWSCF : 2m12.17s CPU 2m49.12s WALL This run was terminated on: 16:16:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=