Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 0: 0 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: ./NaHF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 42 34 10 887 659 106 Max 43 35 11 888 672 108 Sum 1517 1239 373 31947 23961 3847 bravais-lattice index = 14 lattice parameter (alat) = 9.5431 a.u. unit-cell volume = 323.9741 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.543116 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.765708 celldm(5)= 0.765708 celldm(6)= 0.765708 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.765708 0.643189 0.000000 ) a(3) = ( 0.765708 0.278922 0.579564 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.190487 -0.748244 ) b(2) = ( 0.000000 1.554754 -0.748244 ) b(3) = ( 0.000000 0.000000 1.725436 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Na 9.00 22.98980 Na( 1.00) H 1.00 1.00790 H( 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= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0092593 -0.0110230 -0.0069282), wk = 0.0027397 k( 3) = ( 0.0185185 -0.0220461 -0.0138564), wk = 0.0027397 k( 4) = ( 0.0277778 -0.0330691 -0.0207845), wk = 0.0027397 k( 5) = ( 0.0370370 -0.0440921 -0.0277127), wk = 0.0027397 k( 6) = ( 0.0462963 -0.0551151 -0.0346409), wk = 0.0027397 k( 7) = ( 0.0555556 -0.0661382 -0.0415691), wk = 0.0027397 k( 8) = ( 0.0648148 -0.0771612 -0.0484973), wk = 0.0027397 k( 9) = ( 0.0740741 -0.0881842 -0.0554254), wk = 0.0027397 k( 10) = ( 0.0833333 -0.0992073 -0.0623536), wk = 0.0027397 k( 11) = ( 0.0925926 -0.1102303 -0.0692818), wk = 0.0027397 k( 12) = ( 0.1018518 -0.1212533 -0.0762100), wk = 0.0027397 k( 13) = ( 0.1111111 -0.1322763 -0.0831382), wk = 0.0027397 k( 14) = ( 0.1203704 -0.1432994 -0.0900664), wk = 0.0027397 k( 15) = ( 0.1296296 -0.1543224 -0.0969945), wk = 0.0027397 k( 16) = ( 0.1388889 -0.1653454 -0.1039227), wk = 0.0027397 k( 17) = ( 0.1481482 -0.1763685 -0.1108509), wk = 0.0027397 k( 18) = ( 0.1574074 -0.1873915 -0.1177791), wk = 0.0027397 k( 19) = ( 0.1666667 -0.1984145 -0.1247073), wk = 0.0027397 k( 20) = ( 0.1759259 -0.2094376 -0.1316354), wk = 0.0027397 k( 21) = ( 0.1851852 -0.2204606 -0.1385636), wk = 0.0027397 k( 22) = ( 0.1944444 -0.2314836 -0.1454918), wk = 0.0027397 k( 23) = ( 0.2037037 -0.2425066 -0.1524200), wk = 0.0027397 k( 24) = ( 0.2129630 -0.2535297 -0.1593482), wk = 0.0027397 k( 25) = ( 0.2222222 -0.2645527 -0.1662763), wk = 0.0027397 k( 26) = ( 0.2314815 -0.2755757 -0.1732045), wk = 0.0027397 k( 27) = ( 0.2407407 -0.2865988 -0.1801327), wk = 0.0027397 k( 28) = ( 0.2500000 -0.2976218 -0.1870609), wk = 0.0027397 k( 29) = ( 0.2592593 -0.3086448 -0.1939891), wk = 0.0027397 k( 30) = ( 0.2685185 -0.3196678 -0.2009173), wk = 0.0027397 k( 31) = ( 0.2777778 -0.3306909 -0.2078454), wk = 0.0027397 k( 32) = ( 0.2870370 -0.3417139 -0.2147736), wk = 0.0027397 k( 33) = ( 0.2962963 -0.3527369 -0.2217018), wk = 0.0027397 k( 34) = ( 0.3055556 -0.3637600 -0.2286300), wk = 0.0027397 k( 35) = ( 0.3148148 -0.3747830 -0.2355582), wk = 0.0027397 k( 36) = ( 0.3240741 -0.3858060 -0.2424863), wk = 0.0027397 k( 37) = ( 0.3333333 -0.3968290 -0.2494145), wk = 0.0027397 k( 38) = ( 0.3425926 -0.4078521 -0.2563427), wk = 0.0027397 k( 39) = ( 0.3518519 -0.4188751 -0.2632709), wk = 0.0027397 k( 40) = ( 0.3611111 -0.4298981 -0.2701991), wk = 0.0027397 k( 41) = ( 0.3703704 -0.4409212 -0.2771272), wk = 0.0027397 k( 42) = ( 0.3796296 -0.4519442 -0.2840554), wk = 0.0027397 k( 43) = ( 0.3888889 -0.4629672 -0.2909836), wk = 0.0027397 k( 44) = ( 0.3981481 -0.4739902 -0.2979118), wk = 0.0027397 k( 45) = ( 0.4074074 -0.4850133 -0.3048400), wk = 0.0027397 k( 46) = ( 0.4166667 -0.4960363 -0.3117681), wk = 0.0027397 k( 47) = ( 0.4259259 -0.5070593 -0.3186963), wk = 0.0027397 k( 48) = ( 0.4351852 -0.5180824 -0.3256245), wk = 0.0027397 k( 49) = ( 0.4444444 -0.5291054 -0.3325527), wk = 0.0027397 k( 50) = ( 0.4537037 -0.5401284 -0.3394809), wk = 0.0027397 k( 51) = ( 0.4629630 -0.5511514 -0.3464090), wk = 0.0027397 k( 52) = ( 0.4722222 -0.5621745 -0.3533372), wk = 0.0027397 k( 53) = ( 0.4814815 -0.5731975 -0.3602654), wk = 0.0027397 k( 54) = ( 0.4907407 -0.5842205 -0.3671936), wk = 0.0027397 k( 55) = ( 0.5000000 -0.5952436 -0.3741218), wk = 0.0027397 k( 56) = ( 0.5000000 -0.5952436 -0.3741218), wk = 0.0027397 k( 57) = ( 0.5000000 -0.5867132 -0.3876939), wk = 0.0027397 k( 58) = ( 0.5000000 -0.5781829 -0.4012660), wk = 0.0027397 k( 59) = ( 0.5000000 -0.5696526 -0.4148381), wk = 0.0027397 k( 60) = ( 0.5000000 -0.5611223 -0.4284102), wk = 0.0027397 k( 61) = ( 0.5000000 -0.5525919 -0.4419823), wk = 0.0027397 k( 62) = ( 0.5000000 -0.5440616 -0.4555545), wk = 0.0027397 k( 63) = ( 0.5000000 -0.5355313 -0.4691266), wk = 0.0027397 k( 64) = ( 0.5000000 -0.5270009 -0.4826987), wk = 0.0027397 k( 65) = ( 0.5000000 -0.5184706 -0.4962708), wk = 0.0027397 k( 66) = ( 0.5000000 -0.5099403 -0.5098429), wk = 0.0027397 k( 67) = ( 0.5000000 -0.5014100 -0.5234150), wk = 0.0027397 k( 68) = ( 0.5000000 -0.4928796 -0.5369871), wk = 0.0027397 k( 69) = ( 0.5000000 -0.4843493 -0.5505592), wk = 0.0027397 k( 70) = ( 0.5000000 -0.4758190 -0.5641313), wk = 0.0027397 k( 71) = ( 0.5000000 -0.4672887 -0.5777034), wk = 0.0027397 k( 72) = ( 0.5000000 -0.4587583 -0.5912756), wk = 0.0027397 k( 73) = ( 0.5000000 -0.4502280 -0.6048477), wk = 0.0027397 k( 74) = ( 0.5000000 -0.4416977 -0.6184198), wk = 0.0027397 k( 75) = ( 0.5000000 -0.4331673 -0.6319919), wk = 0.0027397 k( 76) = ( 0.5000000 -0.4246370 -0.6455640), wk = 0.0027397 k( 77) = ( 0.5000000 -0.4161067 -0.6591361), wk = 0.0027397 k( 78) = ( 0.5000000 -0.4075764 -0.6727082), wk = 0.0027397 k( 79) = ( 0.5000000 -0.3990460 -0.6862803), wk = 0.0027397 k( 80) = ( 0.5000000 -0.3905157 -0.6998525), wk = 0.0027397 k( 81) = ( 0.5000000 -0.3819854 -0.7134246), wk = 0.0027397 k( 82) = ( 0.5000000 -0.3734550 -0.7269967), wk = 0.0027397 k( 83) = ( 0.5000000 -0.3649247 -0.7405688), wk = 0.0027397 k( 84) = ( 0.5000000 -0.3563944 -0.7541409), wk = 0.0027397 k( 85) = ( 0.5000000 -0.3478641 -0.7677130), wk = 0.0027397 k( 86) = ( 0.5000000 -0.3393337 -0.7812851), wk = 0.0027397 k( 87) = ( 0.5000000 -0.3308034 -0.7948572), wk = 0.0027397 k( 88) = ( 0.5000000 -0.3222731 -0.8084294), wk = 0.0027397 k( 89) = ( 0.5000000 -0.3137428 -0.8220015), wk = 0.0027397 k( 90) = ( 0.5000000 -0.3052124 -0.8355736), wk = 0.0027397 k( 91) = ( 0.5000000 -0.2966821 -0.8491457), wk = 0.0027397 k( 92) = ( 0.5000000 -0.2881518 -0.8627178), wk = 0.0027397 k( 93) = ( 0.8024820 -0.1779676 -0.6337693), wk = 0.0027397 k( 94) = ( 0.7969824 -0.1714203 -0.6201649), wk = 0.0027397 k( 95) = ( 0.7914827 -0.1648730 -0.6065605), wk = 0.0027397 k( 96) = ( 0.7859830 -0.1583257 -0.5929560), wk = 0.0027397 k( 97) = ( 0.7804834 -0.1517785 -0.5793516), wk = 0.0027397 k( 98) = ( 0.7749837 -0.1452312 -0.5657472), wk = 0.0027397 k( 99) = ( 0.7694840 -0.1386839 -0.5521427), wk = 0.0027397 k( 100) = ( 0.7639843 -0.1321366 -0.5385383), wk = 0.0027397 k( 101) = ( 0.7584847 -0.1255893 -0.5249339), wk = 0.0027397 k( 102) = ( 0.7529850 -0.1190420 -0.5113294), wk = 0.0027397 k( 103) = ( 0.7474853 -0.1124947 -0.4977250), wk = 0.0027397 k( 104) = ( 0.7419856 -0.1059474 -0.4841206), wk = 0.0027397 k( 105) = ( 0.7364860 -0.0994001 -0.4705162), wk = 0.0027397 k( 106) = ( 0.7309863 -0.0928528 -0.4569117), wk = 0.0027397 k( 107) = ( 0.7254866 -0.0863055 -0.4433073), wk = 0.0027397 k( 108) = ( 0.7199870 -0.0797583 -0.4297029), wk = 0.0027397 k( 109) = ( 0.7144873 -0.0732110 -0.4160984), wk = 0.0027397 k( 110) = ( 0.7089876 -0.0666637 -0.4024940), wk = 0.0027397 k( 111) = ( 0.7034879 -0.0601164 -0.3888896), wk = 0.0027397 k( 112) = ( 0.6979882 -0.0535691 -0.3752852), wk = 0.0027397 k( 113) = ( 0.6924886 -0.0470218 -0.3616807), wk = 0.0027397 k( 114) = ( 0.6869889 -0.0404745 -0.3480763), wk = 0.0027397 k( 115) = ( 0.6814892 -0.0339272 -0.3344719), wk = 0.0027397 k( 116) = ( 0.6759896 -0.0273799 -0.3208675), wk = 0.0027397 k( 117) = ( 0.6704899 -0.0208326 -0.3072630), wk = 0.0027397 k( 118) = ( 0.6649902 -0.0142853 -0.2936586), wk = 0.0027397 k( 119) = ( 0.6594905 -0.0077381 -0.2800542), wk = 0.0027397 k( 120) = ( 0.6539909 -0.0011908 -0.2664497), wk = 0.0027397 k( 121) = ( 0.6484912 0.0053565 -0.2528453), wk = 0.0027397 k( 122) = ( 0.6429915 0.0119038 -0.2392409), wk = 0.0027397 k( 123) = ( 0.6374918 0.0184511 -0.2256364), wk = 0.0027397 k( 124) = ( 0.6319922 0.0249984 -0.2120320), wk = 0.0027397 k( 125) = ( 0.6264925 0.0315457 -0.1984276), wk = 0.0027397 k( 126) = ( 0.6209928 0.0380930 -0.1848232), wk = 0.0027397 k( 127) = ( 0.6154932 0.0446403 -0.1712187), wk = 0.0027397 k( 128) = ( 0.6099935 0.0511876 -0.1576143), wk = 0.0027397 k( 129) = ( 0.6044938 0.0577348 -0.1440099), wk = 0.0027397 k( 130) = ( 0.5989941 0.0642821 -0.1304055), wk = 0.0027397 k( 131) = ( 0.5934945 0.0708294 -0.1168010), wk = 0.0027397 k( 132) = ( 0.5879948 0.0773767 -0.1031966), wk = 0.0027397 k( 133) = ( 0.5824951 0.0839240 -0.0895922), wk = 0.0027397 k( 134) = ( 0.5769954 0.0904713 -0.0759877), wk = 0.0027397 k( 135) = ( 0.5714958 0.0970186 -0.0623833), wk = 0.0027397 k( 136) = ( 0.5659961 0.1035659 -0.0487789), wk = 0.0027397 k( 137) = ( 0.5604964 0.1101132 -0.0351745), wk = 0.0027397 k( 138) = ( 0.5549967 0.1166605 -0.0215700), wk = 0.0027397 k( 139) = ( 0.5494971 0.1232078 -0.0079656), wk = 0.0027397 k( 140) = ( 0.5439974 0.1297550 0.0056388), wk = 0.0027397 k( 141) = ( 0.5384977 0.1363023 0.0192432), wk = 0.0027397 k( 142) = ( 0.5329980 0.1428496 0.0328477), wk = 0.0027397 k( 143) = ( 0.5274984 0.1493969 0.0464521), wk = 0.0027397 k( 144) = ( 0.5219987 0.1559442 0.0600565), wk = 0.0027397 k( 145) = ( 0.5164990 0.1624915 0.0736610), wk = 0.0027397 k( 146) = ( 0.5109993 0.1690388 0.0872654), wk = 0.0027397 k( 147) = ( 0.5054997 0.1755861 0.1008698), wk = 0.0027397 k( 148) = ( 0.5000000 0.1821334 0.1144742), wk = 0.0027397 k( 149) = ( 0.5000000 0.1821334 0.1144742), wk = 0.0027397 k( 150) = ( 0.4852941 0.1767765 0.1111074), wk = 0.0027397 k( 151) = ( 0.4705882 0.1714196 0.1077405), wk = 0.0027397 k( 152) = ( 0.4558823 0.1660628 0.1043736), wk = 0.0027397 k( 153) = ( 0.4411765 0.1607059 0.1010067), wk = 0.0027397 k( 154) = ( 0.4264706 0.1553491 0.0976398), wk = 0.0027397 k( 155) = ( 0.4117647 0.1499922 0.0942729), wk = 0.0027397 k( 156) = ( 0.3970588 0.1446353 0.0909060), wk = 0.0027397 k( 157) = ( 0.3823529 0.1392785 0.0875391), wk = 0.0027397 k( 158) = ( 0.3676471 0.1339216 0.0841722), wk = 0.0027397 k( 159) = ( 0.3529412 0.1285647 0.0808054), wk = 0.0027397 k( 160) = ( 0.3382353 0.1232079 0.0774385), wk = 0.0027397 k( 161) = ( 0.3235294 0.1178510 0.0740716), wk = 0.0027397 k( 162) = ( 0.3088235 0.1124941 0.0707047), wk = 0.0027397 k( 163) = ( 0.2941177 0.1071373 0.0673378), wk = 0.0027397 k( 164) = ( 0.2794118 0.1017804 0.0639709), wk = 0.0027397 k( 165) = ( 0.2647059 0.0964235 0.0606040), wk = 0.0027397 k( 166) = ( 0.2500000 0.0910667 0.0572371), wk = 0.0027397 k( 167) = ( 0.2352941 0.0857098 0.0538702), wk = 0.0027397 k( 168) = ( 0.2205882 0.0803530 0.0505033), wk = 0.0027397 k( 169) = ( 0.2058823 0.0749961 0.0471365), wk = 0.0027397 k( 170) = ( 0.1911765 0.0696392 0.0437696), wk = 0.0027397 k( 171) = ( 0.1764706 0.0642824 0.0404027), wk = 0.0027397 k( 172) = ( 0.1617647 0.0589255 0.0370358), wk = 0.0027397 k( 173) = ( 0.1470588 0.0535686 0.0336689), wk = 0.0027397 k( 174) = ( 0.1323529 0.0482118 0.0303020), wk = 0.0027397 k( 175) = ( 0.1176471 0.0428549 0.0269351), wk = 0.0027397 k( 176) = ( 0.1029412 0.0374980 0.0235682), wk = 0.0027397 k( 177) = ( 0.0882353 0.0321412 0.0202013), wk = 0.0027397 k( 178) = ( 0.0735294 0.0267843 0.0168344), wk = 0.0027397 k( 179) = ( 0.0588235 0.0214275 0.0134676), wk = 0.0027397 k( 180) = ( 0.0441177 0.0160706 0.0101007), wk = 0.0027397 k( 181) = ( 0.0294118 0.0107137 0.0067338), wk = 0.0027397 k( 182) = ( 0.0147059 0.0053569 0.0033669), wk = 0.0027397 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 185) = ( 0.0054494 -0.0064874 -0.0134800), wk = 0.0027397 k( 186) = ( 0.0108987 -0.0129748 -0.0269599), wk = 0.0027397 k( 187) = ( 0.0163481 -0.0194622 -0.0404399), wk = 0.0027397 k( 188) = ( 0.0217974 -0.0259496 -0.0539199), wk = 0.0027397 k( 189) = ( 0.0272468 -0.0324370 -0.0673998), wk = 0.0027397 k( 190) = ( 0.0326962 -0.0389243 -0.0808798), wk = 0.0027397 k( 191) = ( 0.0381455 -0.0454117 -0.0943598), wk = 0.0027397 k( 192) = ( 0.0435949 -0.0518991 -0.1078397), wk = 0.0027397 k( 193) = ( 0.0490442 -0.0583865 -0.1213197), wk = 0.0027397 k( 194) = ( 0.0544936 -0.0648739 -0.1347997), wk = 0.0027397 k( 195) = ( 0.0599430 -0.0713613 -0.1482796), wk = 0.0027397 k( 196) = ( 0.0653923 -0.0778487 -0.1617596), wk = 0.0027397 k( 197) = ( 0.0708417 -0.0843361 -0.1752396), wk = 0.0027397 k( 198) = ( 0.0762910 -0.0908235 -0.1887195), wk = 0.0027397 k( 199) = ( 0.0817404 -0.0973109 -0.2021995), wk = 0.0027397 k( 200) = ( 0.0871897 -0.1037983 -0.2156794), wk = 0.0027397 k( 201) = ( 0.0926391 -0.1102857 -0.2291594), wk = 0.0027397 k( 202) = ( 0.0980885 -0.1167730 -0.2426394), wk = 0.0027397 k( 203) = ( 0.1035378 -0.1232604 -0.2561193), wk = 0.0027397 k( 204) = ( 0.1089872 -0.1297478 -0.2695993), wk = 0.0027397 k( 205) = ( 0.1144365 -0.1362352 -0.2830793), wk = 0.0027397 k( 206) = ( 0.1198859 -0.1427226 -0.2965593), wk = 0.0027397 k( 207) = ( 0.1253353 -0.1492100 -0.3100392), wk = 0.0027397 k( 208) = ( 0.1307846 -0.1556974 -0.3235192), wk = 0.0027397 k( 209) = ( 0.1362340 -0.1621848 -0.3369991), wk = 0.0027397 k( 210) = ( 0.1416833 -0.1686722 -0.3504791), wk = 0.0027397 k( 211) = ( 0.1471327 -0.1751596 -0.3639591), wk = 0.0027397 k( 212) = ( 0.1525820 -0.1816470 -0.3774390), wk = 0.0027397 k( 213) = ( 0.1580314 -0.1881344 -0.3909190), wk = 0.0027397 k( 214) = ( 0.1634808 -0.1946218 -0.4043990), wk = 0.0027397 k( 215) = ( 0.1689301 -0.2011091 -0.4178789), wk = 0.0027397 k( 216) = ( 0.1743795 -0.2075965 -0.4313589), wk = 0.0027397 k( 217) = ( 0.1798289 -0.2140839 -0.4448389), wk = 0.0027397 k( 218) = ( 0.1852782 -0.2205713 -0.4583188), wk = 0.0027397 k( 219) = ( 0.1907276 -0.2270587 -0.4717988), wk = 0.0027397 k( 220) = ( 0.1961769 -0.2335461 -0.4852788), wk = 0.0027397 k( 221) = ( 0.2016263 -0.2400335 -0.4987587), wk = 0.0027397 k( 222) = ( 0.2070756 -0.2465209 -0.5122387), wk = 0.0027397 k( 223) = ( 0.2125250 -0.2530083 -0.5257187), wk = 0.0027397 k( 224) = ( 0.2179744 -0.2594957 -0.5391986), wk = 0.0027397 k( 225) = ( 0.2234237 -0.2659831 -0.5526786), wk = 0.0027397 k( 226) = ( 0.2288731 -0.2724705 -0.5661586), wk = 0.0027397 k( 227) = ( 0.2343224 -0.2789578 -0.5796385), wk = 0.0027397 k( 228) = ( 0.2397718 -0.2854452 -0.5931185), wk = 0.0027397 k( 229) = ( 0.2452211 -0.2919326 -0.6065984), wk = 0.0027397 k( 230) = ( 0.2506705 -0.2984200 -0.6200784), wk = 0.0027397 k( 231) = ( 0.2561199 -0.3049074 -0.6335584), wk = 0.0027397 k( 232) = ( 0.2615692 -0.3113948 -0.6470384), wk = 0.0027397 k( 233) = ( 0.2670186 -0.3178822 -0.6605183), wk = 0.0027397 k( 234) = ( 0.2724680 -0.3243696 -0.6739983), wk = 0.0027397 k( 235) = ( 0.2779173 -0.3308570 -0.6874783), wk = 0.0027397 k( 236) = ( 0.2833667 -0.3373444 -0.7009582), wk = 0.0027397 k( 237) = ( 0.2888160 -0.3438318 -0.7144382), wk = 0.0027397 k( 238) = ( 0.2942654 -0.3503191 -0.7279181), wk = 0.0027397 k( 239) = ( 0.2997147 -0.3568065 -0.7413981), wk = 0.0027397 k( 240) = ( 0.3051641 -0.3632939 -0.7548781), wk = 0.0027397 k( 241) = ( 0.3106135 -0.3697813 -0.7683580), wk = 0.0027397 k( 242) = ( 0.3160628 -0.3762687 -0.7818380), wk = 0.0027397 k( 243) = ( 0.3215122 -0.3827561 -0.7953180), wk = 0.0027397 k( 244) = ( 0.3269615 -0.3892435 -0.8087979), wk = 0.0027397 k( 245) = ( 0.3324109 -0.3957309 -0.8222779), wk = 0.0027397 k( 246) = ( 0.3378603 -0.4022183 -0.8357579), wk = 0.0027397 k( 247) = ( 0.3433096 -0.4087057 -0.8492378), wk = 0.0027397 k( 248) = ( 0.3487590 -0.4151931 -0.8627178), wk = 0.0027397 k( 249) = ( 0.6512410 -0.2330597 -0.7482436), wk = 0.0027397 k( 250) = ( 0.6458396 -0.2182314 -0.7482436), wk = 0.0027397 k( 251) = ( 0.6404381 -0.2034031 -0.7482436), wk = 0.0027397 k( 252) = ( 0.6350366 -0.1885747 -0.7482436), wk = 0.0027397 k( 253) = ( 0.6296352 -0.1737464 -0.7482436), wk = 0.0027397 k( 254) = ( 0.6242337 -0.1589181 -0.7482436), wk = 0.0027397 k( 255) = ( 0.6188322 -0.1440898 -0.7482436), wk = 0.0027397 k( 256) = ( 0.6134308 -0.1292614 -0.7482436), wk = 0.0027397 k( 257) = ( 0.6080293 -0.1144331 -0.7482436), wk = 0.0027397 k( 258) = ( 0.6026278 -0.0996048 -0.7482436), wk = 0.0027397 k( 259) = ( 0.5972264 -0.0847764 -0.7482436), wk = 0.0027397 k( 260) = ( 0.5918249 -0.0699481 -0.7482436), wk = 0.0027397 k( 261) = ( 0.5864234 -0.0551198 -0.7482436), wk = 0.0027397 k( 262) = ( 0.5810220 -0.0402915 -0.7482436), wk = 0.0027397 k( 263) = ( 0.5756205 -0.0254632 -0.7482436), wk = 0.0027397 k( 264) = ( 0.5702190 -0.0106348 -0.7482436), wk = 0.0027397 k( 265) = ( 0.5648176 0.0041935 -0.7482436), wk = 0.0027397 k( 266) = ( 0.5594161 0.0190218 -0.7482436), wk = 0.0027397 k( 267) = ( 0.5540147 0.0338501 -0.7482436), wk = 0.0027397 k( 268) = ( 0.5486132 0.0486784 -0.7482436), wk = 0.0027397 k( 269) = ( 0.5432117 0.0635068 -0.7482436), wk = 0.0027397 k( 270) = ( 0.5378103 0.0783351 -0.7482436), wk = 0.0027397 k( 271) = ( 0.5324088 0.0931634 -0.7482436), wk = 0.0027397 k( 272) = ( 0.5270073 0.1079917 -0.7482436), wk = 0.0027397 k( 273) = ( 0.5216059 0.1228201 -0.7482436), wk = 0.0027397 k( 274) = ( 0.5162044 0.1376484 -0.7482436), wk = 0.0027397 k( 275) = ( 0.5108029 0.1524767 -0.7482436), wk = 0.0027397 k( 276) = ( 0.5054015 0.1673050 -0.7482436), wk = 0.0027397 k( 277) = ( 0.5000000 0.1821334 -0.7482436), wk = 0.0027397 k( 278) = ( 0.5000000 0.1821334 -0.7482436), wk = 0.0027397 k( 279) = ( 0.5116339 0.1863712 -0.7394378), wk = 0.0027397 k( 280) = ( 0.5232678 0.1906091 -0.7306321), wk = 0.0027397 k( 281) = ( 0.5349018 0.1948469 -0.7218264), wk = 0.0027397 k( 282) = ( 0.5465357 0.1990848 -0.7130207), wk = 0.0027397 k( 283) = ( 0.5581696 0.2033226 -0.7042150), wk = 0.0027397 k( 284) = ( 0.5698036 0.2075605 -0.6954093), wk = 0.0027397 k( 285) = ( 0.5814375 0.2117983 -0.6866036), wk = 0.0027397 k( 286) = ( 0.5930714 0.2160362 -0.6777978), wk = 0.0027397 k( 287) = ( 0.6047053 0.2202740 -0.6689922), wk = 0.0027397 k( 288) = ( 0.6163393 0.2245119 -0.6601864), wk = 0.0027397 k( 289) = ( 0.6279732 0.2287497 -0.6513807), wk = 0.0027397 k( 290) = ( 0.6396071 0.2329876 -0.6425750), wk = 0.0027397 k( 291) = ( 0.6512410 0.2372254 -0.6337693), wk = 0.0027397 k( 292) = ( 0.6512410 0.2372254 -0.6337693), wk = 0.0027397 k( 293) = ( 0.6480902 0.2360777 -0.6181809), wk = 0.0027397 k( 294) = ( 0.6449393 0.2349299 -0.6025925), wk = 0.0027397 k( 295) = ( 0.6417885 0.2337822 -0.5870041), wk = 0.0027397 k( 296) = ( 0.6386376 0.2326344 -0.5714157), wk = 0.0027397 k( 297) = ( 0.6354867 0.2314867 -0.5558273), wk = 0.0027397 k( 298) = ( 0.6323359 0.2303389 -0.5402389), wk = 0.0027397 k( 299) = ( 0.6291850 0.2291912 -0.5246504), wk = 0.0027397 k( 300) = ( 0.6260342 0.2280434 -0.5090620), wk = 0.0027397 k( 301) = ( 0.6228833 0.2268957 -0.4934736), wk = 0.0027397 k( 302) = ( 0.6197325 0.2257479 -0.4778852), wk = 0.0027397 k( 303) = ( 0.6165816 0.2246002 -0.4622968), wk = 0.0027397 k( 304) = ( 0.6134308 0.2234524 -0.4467084), wk = 0.0027397 k( 305) = ( 0.6102799 0.2223047 -0.4311200), wk = 0.0027397 k( 306) = ( 0.6071291 0.2211569 -0.4155316), wk = 0.0027397 k( 307) = ( 0.6039782 0.2200092 -0.3999432), wk = 0.0027397 k( 308) = ( 0.6008273 0.2188614 -0.3843548), wk = 0.0027397 k( 309) = ( 0.5976765 0.2177137 -0.3687664), wk = 0.0027397 k( 310) = ( 0.5945256 0.2165659 -0.3531780), wk = 0.0027397 k( 311) = ( 0.5913748 0.2154182 -0.3375896), wk = 0.0027397 k( 312) = ( 0.5882239 0.2142704 -0.3220011), wk = 0.0027397 k( 313) = ( 0.5850731 0.2131227 -0.3064128), wk = 0.0027397 k( 314) = ( 0.5819222 0.2119749 -0.2908243), wk = 0.0027397 k( 315) = ( 0.5787714 0.2108272 -0.2752359), wk = 0.0027397 k( 316) = ( 0.5756205 0.2096794 -0.2596475), wk = 0.0027397 k( 317) = ( 0.5724697 0.2085317 -0.2440591), wk = 0.0027397 k( 318) = ( 0.5693188 0.2073839 -0.2284707), wk = 0.0027397 k( 319) = ( 0.5661679 0.2062362 -0.2128823), wk = 0.0027397 k( 320) = ( 0.5630171 0.2050884 -0.1972939), wk = 0.0027397 k( 321) = ( 0.5598662 0.2039407 -0.1817055), wk = 0.0027397 k( 322) = ( 0.5567154 0.2027929 -0.1661171), wk = 0.0027397 k( 323) = ( 0.5535645 0.2016451 -0.1505287), wk = 0.0027397 k( 324) = ( 0.5504137 0.2004974 -0.1349403), wk = 0.0027397 k( 325) = ( 0.5472628 0.1993496 -0.1193519), wk = 0.0027397 k( 326) = ( 0.5441120 0.1982019 -0.1037635), wk = 0.0027397 k( 327) = ( 0.5409611 0.1970541 -0.0881750), wk = 0.0027397 k( 328) = ( 0.5378103 0.1959064 -0.0725866), wk = 0.0027397 k( 329) = ( 0.5346594 0.1947586 -0.0569982), wk = 0.0027397 k( 330) = ( 0.5315085 0.1936109 -0.0414098), wk = 0.0027397 k( 331) = ( 0.5283577 0.1924631 -0.0258214), wk = 0.0027397 k( 332) = ( 0.5252068 0.1913154 -0.0102330), wk = 0.0027397 k( 333) = ( 0.5220560 0.1901676 0.0053554), wk = 0.0027397 k( 334) = ( 0.5189051 0.1890199 0.0209438), wk = 0.0027397 k( 335) = ( 0.5157543 0.1878721 0.0365322), wk = 0.0027397 k( 336) = ( 0.5126034 0.1867244 0.0521206), wk = 0.0027397 k( 337) = ( 0.5094526 0.1855766 0.0677090), wk = 0.0027397 k( 338) = ( 0.5063017 0.1844289 0.0832974), wk = 0.0027397 k( 339) = ( 0.5031509 0.1832811 0.0988858), wk = 0.0027397 k( 340) = ( 0.5000000 0.1821334 0.1144742), wk = 0.0027397 k( 341) = ( 0.5000000 -0.5952436 -0.3741218), wk = 0.0027397 k( 342) = ( 0.5126034 -0.5876547 -0.3693520), wk = 0.0027397 k( 343) = ( 0.5252068 -0.5800658 -0.3645823), wk = 0.0027397 k( 344) = ( 0.5378103 -0.5724769 -0.3598125), wk = 0.0027397 k( 345) = ( 0.5504137 -0.5648880 -0.3550427), wk = 0.0027397 k( 346) = ( 0.5630171 -0.5572991 -0.3502730), wk = 0.0027397 k( 347) = ( 0.5756205 -0.5497102 -0.3455032), wk = 0.0027397 k( 348) = ( 0.5882239 -0.5421213 -0.3407334), wk = 0.0027397 k( 349) = ( 0.6008273 -0.5345324 -0.3359637), wk = 0.0027397 k( 350) = ( 0.6134308 -0.5269436 -0.3311939), wk = 0.0027397 k( 351) = ( 0.6260342 -0.5193547 -0.3264242), wk = 0.0027397 k( 352) = ( 0.6386376 -0.5117658 -0.3216544), wk = 0.0027397 k( 353) = ( 0.6512410 -0.5041769 -0.3168846), wk = 0.0027397 k( 354) = ( 0.6638445 -0.4965880 -0.3121149), wk = 0.0027397 k( 355) = ( 0.6764479 -0.4889991 -0.3073451), wk = 0.0027397 k( 356) = ( 0.6890513 -0.4814102 -0.3025754), wk = 0.0027397 k( 357) = ( 0.7016547 -0.4738213 -0.2978056), wk = 0.0027397 k( 358) = ( 0.7142581 -0.4662324 -0.2930358), wk = 0.0027397 k( 359) = ( 0.7268615 -0.4586435 -0.2882661), wk = 0.0027397 k( 360) = ( 0.7394650 -0.4510547 -0.2834963), wk = 0.0027397 k( 361) = ( 0.7520684 -0.4434658 -0.2787266), wk = 0.0027397 k( 362) = ( 0.7646718 -0.4358769 -0.2739568), wk = 0.0027397 k( 363) = ( 0.7772752 -0.4282880 -0.2691870), wk = 0.0027397 k( 364) = ( 0.7898786 -0.4206991 -0.2644173), wk = 0.0027397 k( 365) = ( 0.8024820 -0.4131102 -0.2596475), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0027397 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0027397 k( 4) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0027397 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0027397 k( 6) = ( 0.0462963 0.0000000 -0.0000000), wk = 0.0027397 k( 7) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0027397 k( 8) = ( 0.0648148 -0.0000000 0.0000000), wk = 0.0027397 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0027397 k( 10) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0027397 k( 11) = ( 0.0925926 0.0000000 -0.0000000), wk = 0.0027397 k( 12) = ( 0.1018518 0.0000000 -0.0000000), wk = 0.0027397 k( 13) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0027397 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0027397 k( 15) = ( 0.1296296 -0.0000000 0.0000000), wk = 0.0027397 k( 16) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0027397 k( 17) = ( 0.1481482 -0.0000000 0.0000000), wk = 0.0027397 k( 18) = ( 0.1574074 -0.0000000 0.0000000), wk = 0.0027397 k( 19) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0027397 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0027397 k( 21) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0027397 k( 22) = ( 0.1944444 0.0000000 -0.0000000), wk = 0.0027397 k( 23) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0027397 k( 24) = ( 0.2129630 -0.0000000 0.0000000), wk = 0.0027397 k( 25) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0027397 k( 26) = ( 0.2314815 -0.0000000 0.0000000), wk = 0.0027397 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0027397 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027397 k( 29) = ( 0.2592593 -0.0000000 0.0000000), wk = 0.0027397 k( 30) = ( 0.2685185 -0.0000000 -0.0000000), wk = 0.0027397 k( 31) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0027397 k( 32) = ( 0.2870370 -0.0000000 0.0000000), wk = 0.0027397 k( 33) = ( 0.2962963 -0.0000000 0.0000000), wk = 0.0027397 k( 34) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0027397 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0027397 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0027397 k( 37) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0027397 k( 38) = ( 0.3425926 0.0000000 0.0000000), wk = 0.0027397 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0027397 k( 40) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0027397 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0027397 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0027397 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0027397 k( 44) = ( 0.3981481 -0.0000000 -0.0000000), wk = 0.0027397 k( 45) = ( 0.4074074 -0.0000000 0.0000000), wk = 0.0027397 k( 46) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0027397 k( 47) = ( 0.4259259 -0.0000000 0.0000000), wk = 0.0027397 k( 48) = ( 0.4351852 0.0000000 0.0000000), wk = 0.0027397 k( 49) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0027397 k( 50) = ( 0.4537037 0.0000000 -0.0000000), wk = 0.0027397 k( 51) = ( 0.4629630 -0.0000000 0.0000000), wk = 0.0027397 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0027397 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0027397 k( 54) = ( 0.4907407 0.0000000 -0.0000000), wk = 0.0027397 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 57) = ( 0.5000000 0.0054866 -0.0054866), wk = 0.0027397 k( 58) = ( 0.5000000 0.0109732 -0.0109732), wk = 0.0027397 k( 59) = ( 0.5000000 0.0164598 -0.0164598), wk = 0.0027397 k( 60) = ( 0.5000000 0.0219464 -0.0219464), wk = 0.0027397 k( 61) = ( 0.5000000 0.0274330 -0.0274331), wk = 0.0027397 k( 62) = ( 0.5000000 0.0329197 -0.0329197), wk = 0.0027397 k( 63) = ( 0.5000000 0.0384063 -0.0384063), wk = 0.0027397 k( 64) = ( 0.5000000 0.0438929 -0.0438929), wk = 0.0027397 k( 65) = ( 0.5000000 0.0493795 -0.0493795), wk = 0.0027397 k( 66) = ( 0.5000000 0.0548661 -0.0548661), wk = 0.0027397 k( 67) = ( 0.5000000 0.0603527 -0.0603527), wk = 0.0027397 k( 68) = ( 0.5000000 0.0658393 -0.0658393), wk = 0.0027397 k( 69) = ( 0.5000000 0.0713259 -0.0713259), wk = 0.0027397 k( 70) = ( 0.5000000 0.0768125 -0.0768125), wk = 0.0027397 k( 71) = ( 0.5000000 0.0822991 -0.0822991), wk = 0.0027397 k( 72) = ( 0.5000000 0.0877857 -0.0877858), wk = 0.0027397 k( 73) = ( 0.5000000 0.0932724 -0.0932724), wk = 0.0027397 k( 74) = ( 0.5000000 0.0987590 -0.0987590), wk = 0.0027397 k( 75) = ( 0.5000000 0.1042456 -0.1042456), wk = 0.0027397 k( 76) = ( 0.5000000 0.1097322 -0.1097322), wk = 0.0027397 k( 77) = ( 0.5000000 0.1152188 -0.1152188), wk = 0.0027397 k( 78) = ( 0.5000000 0.1207054 -0.1207054), wk = 0.0027397 k( 79) = ( 0.5000000 0.1261920 -0.1261920), wk = 0.0027397 k( 80) = ( 0.5000000 0.1316786 -0.1316786), wk = 0.0027397 k( 81) = ( 0.5000000 0.1371652 -0.1371652), wk = 0.0027397 k( 82) = ( 0.5000000 0.1426518 -0.1426518), wk = 0.0027397 k( 83) = ( 0.5000000 0.1481385 -0.1481385), wk = 0.0027397 k( 84) = ( 0.5000000 0.1536251 -0.1536251), wk = 0.0027397 k( 85) = ( 0.5000000 0.1591117 -0.1591117), wk = 0.0027397 k( 86) = ( 0.5000000 0.1645983 -0.1645983), wk = 0.0027397 k( 87) = ( 0.5000000 0.1700849 -0.1700849), wk = 0.0027397 k( 88) = ( 0.5000000 0.1755715 -0.1755715), wk = 0.0027397 k( 89) = ( 0.5000000 0.1810581 -0.1810581), wk = 0.0027397 k( 90) = ( 0.5000000 0.1865447 -0.1865447), wk = 0.0027397 k( 91) = ( 0.5000000 0.1920313 -0.1920313), wk = 0.0027397 k( 92) = ( 0.5000000 0.1975179 -0.1975179), wk = 0.0027397 k( 93) = ( 0.8024820 0.5000000 0.1975179), wk = 0.0027397 k( 94) = ( 0.7969824 0.5000000 0.2030176), wk = 0.0027397 k( 95) = ( 0.7914827 0.5000000 0.2085173), wk = 0.0027397 k( 96) = ( 0.7859830 0.5000000 0.2140170), wk = 0.0027397 k( 97) = ( 0.7804834 0.5000000 0.2195166), wk = 0.0027397 k( 98) = ( 0.7749837 0.5000000 0.2250163), wk = 0.0027397 k( 99) = ( 0.7694840 0.5000000 0.2305160), wk = 0.0027397 k( 100) = ( 0.7639843 0.5000000 0.2360157), wk = 0.0027397 k( 101) = ( 0.7584847 0.5000000 0.2415153), wk = 0.0027397 k( 102) = ( 0.7529850 0.5000000 0.2470150), wk = 0.0027397 k( 103) = ( 0.7474853 0.5000000 0.2525147), wk = 0.0027397 k( 104) = ( 0.7419856 0.5000000 0.2580144), wk = 0.0027397 k( 105) = ( 0.7364860 0.5000000 0.2635140), wk = 0.0027397 k( 106) = ( 0.7309863 0.5000000 0.2690137), wk = 0.0027397 k( 107) = ( 0.7254866 0.5000000 0.2745134), wk = 0.0027397 k( 108) = ( 0.7199870 0.5000000 0.2800130), wk = 0.0027397 k( 109) = ( 0.7144873 0.5000000 0.2855127), wk = 0.0027397 k( 110) = ( 0.7089876 0.5000000 0.2910124), wk = 0.0027397 k( 111) = ( 0.7034879 0.5000000 0.2965121), wk = 0.0027397 k( 112) = ( 0.6979882 0.5000000 0.3020118), wk = 0.0027397 k( 113) = ( 0.6924886 0.5000000 0.3075114), wk = 0.0027397 k( 114) = ( 0.6869889 0.5000000 0.3130111), wk = 0.0027397 k( 115) = ( 0.6814892 0.5000000 0.3185108), wk = 0.0027397 k( 116) = ( 0.6759896 0.5000000 0.3240104), wk = 0.0027397 k( 117) = ( 0.6704899 0.5000000 0.3295101), wk = 0.0027397 k( 118) = ( 0.6649902 0.5000000 0.3350098), wk = 0.0027397 k( 119) = ( 0.6594905 0.5000000 0.3405095), wk = 0.0027397 k( 120) = ( 0.6539909 0.5000000 0.3460091), wk = 0.0027397 k( 121) = ( 0.6484912 0.5000000 0.3515088), wk = 0.0027397 k( 122) = ( 0.6429915 0.5000000 0.3570085), wk = 0.0027397 k( 123) = ( 0.6374918 0.5000000 0.3625082), wk = 0.0027397 k( 124) = ( 0.6319922 0.5000000 0.3680078), wk = 0.0027397 k( 125) = ( 0.6264925 0.5000000 0.3735075), wk = 0.0027397 k( 126) = ( 0.6209928 0.5000000 0.3790072), wk = 0.0027397 k( 127) = ( 0.6154932 0.5000000 0.3845068), wk = 0.0027397 k( 128) = ( 0.6099935 0.5000000 0.3900065), wk = 0.0027397 k( 129) = ( 0.6044938 0.5000000 0.3955062), wk = 0.0027397 k( 130) = ( 0.5989941 0.5000000 0.4010059), wk = 0.0027397 k( 131) = ( 0.5934945 0.5000000 0.4065055), wk = 0.0027397 k( 132) = ( 0.5879948 0.5000000 0.4120052), wk = 0.0027397 k( 133) = ( 0.5824951 0.5000000 0.4175049), wk = 0.0027397 k( 134) = ( 0.5769954 0.5000000 0.4230046), wk = 0.0027397 k( 135) = ( 0.5714958 0.5000000 0.4285042), wk = 0.0027397 k( 136) = ( 0.5659961 0.5000000 0.4340039), wk = 0.0027397 k( 137) = ( 0.5604964 0.5000000 0.4395036), wk = 0.0027397 k( 138) = ( 0.5549967 0.5000000 0.4450033), wk = 0.0027397 k( 139) = ( 0.5494971 0.5000000 0.4505029), wk = 0.0027397 k( 140) = ( 0.5439974 0.5000000 0.4560026), wk = 0.0027397 k( 141) = ( 0.5384977 0.5000000 0.4615023), wk = 0.0027397 k( 142) = ( 0.5329980 0.5000000 0.4670020), wk = 0.0027397 k( 143) = ( 0.5274984 0.5000000 0.4725016), wk = 0.0027397 k( 144) = ( 0.5219987 0.5000000 0.4780013), wk = 0.0027397 k( 145) = ( 0.5164990 0.5000000 0.4835010), wk = 0.0027397 k( 146) = ( 0.5109993 0.5000000 0.4890006), wk = 0.0027397 k( 147) = ( 0.5054997 0.5000000 0.4945003), wk = 0.0027397 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 149) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 150) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0027397 k( 151) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0027397 k( 152) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0027397 k( 153) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0027397 k( 154) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0027397 k( 155) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0027397 k( 156) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0027397 k( 157) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0027397 k( 158) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0027397 k( 159) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0027397 k( 160) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0027397 k( 161) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0027397 k( 162) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0027397 k( 163) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0027397 k( 164) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0027397 k( 165) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0027397 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027397 k( 167) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0027397 k( 168) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0027397 k( 169) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0027397 k( 170) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0027397 k( 171) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0027397 k( 172) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0027397 k( 173) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0027397 k( 174) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0027397 k( 175) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0027397 k( 176) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0027397 k( 177) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0027397 k( 178) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0027397 k( 179) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0027397 k( 180) = ( 0.0441177 0.0441176 0.0441177), wk = 0.0027397 k( 181) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0027397 k( 182) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0027397 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 185) = ( 0.0054494 0.0000000 -0.0054494), wk = 0.0027397 k( 186) = ( 0.0108987 0.0000000 -0.0108987), wk = 0.0027397 k( 187) = ( 0.0163481 0.0000000 -0.0163481), wk = 0.0027397 k( 188) = ( 0.0217974 0.0000000 -0.0217974), wk = 0.0027397 k( 189) = ( 0.0272468 -0.0000000 -0.0272468), wk = 0.0027397 k( 190) = ( 0.0326962 -0.0000000 -0.0326962), wk = 0.0027397 k( 191) = ( 0.0381455 -0.0000000 -0.0381455), wk = 0.0027397 k( 192) = ( 0.0435949 0.0000000 -0.0435949), wk = 0.0027397 k( 193) = ( 0.0490442 -0.0000000 -0.0490442), wk = 0.0027397 k( 194) = ( 0.0544936 -0.0000000 -0.0544936), wk = 0.0027397 k( 195) = ( 0.0599430 0.0000000 -0.0599429), wk = 0.0027397 k( 196) = ( 0.0653923 -0.0000000 -0.0653923), wk = 0.0027397 k( 197) = ( 0.0708417 -0.0000000 -0.0708417), wk = 0.0027397 k( 198) = ( 0.0762910 -0.0000000 -0.0762910), wk = 0.0027397 k( 199) = ( 0.0817404 0.0000000 -0.0817404), wk = 0.0027397 k( 200) = ( 0.0871897 0.0000000 -0.0871897), wk = 0.0027397 k( 201) = ( 0.0926391 -0.0000000 -0.0926391), wk = 0.0027397 k( 202) = ( 0.0980885 -0.0000000 -0.0980885), wk = 0.0027397 k( 203) = ( 0.1035378 -0.0000000 -0.1035378), wk = 0.0027397 k( 204) = ( 0.1089872 -0.0000000 -0.1089872), wk = 0.0027397 k( 205) = ( 0.1144365 -0.0000000 -0.1144365), wk = 0.0027397 k( 206) = ( 0.1198859 0.0000000 -0.1198859), wk = 0.0027397 k( 207) = ( 0.1253353 0.0000000 -0.1253353), wk = 0.0027397 k( 208) = ( 0.1307846 -0.0000000 -0.1307846), wk = 0.0027397 k( 209) = ( 0.1362340 -0.0000000 -0.1362340), wk = 0.0027397 k( 210) = ( 0.1416833 -0.0000000 -0.1416833), wk = 0.0027397 k( 211) = ( 0.1471327 -0.0000000 -0.1471327), wk = 0.0027397 k( 212) = ( 0.1525820 -0.0000000 -0.1525820), wk = 0.0027397 k( 213) = ( 0.1580314 -0.0000000 -0.1580314), wk = 0.0027397 k( 214) = ( 0.1634808 0.0000000 -0.1634808), wk = 0.0027397 k( 215) = ( 0.1689301 -0.0000000 -0.1689301), wk = 0.0027397 k( 216) = ( 0.1743795 0.0000000 -0.1743795), wk = 0.0027397 k( 217) = ( 0.1798289 -0.0000000 -0.1798289), wk = 0.0027397 k( 218) = ( 0.1852782 -0.0000000 -0.1852782), wk = 0.0027397 k( 219) = ( 0.1907276 0.0000000 -0.1907276), wk = 0.0027397 k( 220) = ( 0.1961769 -0.0000000 -0.1961769), wk = 0.0027397 k( 221) = ( 0.2016263 -0.0000000 -0.2016263), wk = 0.0027397 k( 222) = ( 0.2070756 -0.0000000 -0.2070756), wk = 0.0027397 k( 223) = ( 0.2125250 -0.0000000 -0.2125250), wk = 0.0027397 k( 224) = ( 0.2179744 -0.0000000 -0.2179744), wk = 0.0027397 k( 225) = ( 0.2234237 -0.0000000 -0.2234237), wk = 0.0027397 k( 226) = ( 0.2288731 -0.0000000 -0.2288731), wk = 0.0027397 k( 227) = ( 0.2343224 -0.0000000 -0.2343224), wk = 0.0027397 k( 228) = ( 0.2397718 0.0000000 -0.2397718), wk = 0.0027397 k( 229) = ( 0.2452211 -0.0000000 -0.2452212), wk = 0.0027397 k( 230) = ( 0.2506705 -0.0000000 -0.2506705), wk = 0.0027397 k( 231) = ( 0.2561199 0.0000000 -0.2561199), wk = 0.0027397 k( 232) = ( 0.2615692 -0.0000000 -0.2615692), wk = 0.0027397 k( 233) = ( 0.2670186 -0.0000000 -0.2670186), wk = 0.0027397 k( 234) = ( 0.2724680 -0.0000000 -0.2724680), wk = 0.0027397 k( 235) = ( 0.2779173 -0.0000000 -0.2779173), wk = 0.0027397 k( 236) = ( 0.2833667 -0.0000000 -0.2833667), wk = 0.0027397 k( 237) = ( 0.2888160 0.0000000 -0.2888160), wk = 0.0027397 k( 238) = ( 0.2942654 -0.0000000 -0.2942654), wk = 0.0027397 k( 239) = ( 0.2997147 -0.0000000 -0.2997147), wk = 0.0027397 k( 240) = ( 0.3051641 -0.0000000 -0.3051641), wk = 0.0027397 k( 241) = ( 0.3106135 -0.0000000 -0.3106135), wk = 0.0027397 k( 242) = ( 0.3160628 -0.0000000 -0.3160628), wk = 0.0027397 k( 243) = ( 0.3215122 -0.0000000 -0.3215122), wk = 0.0027397 k( 244) = ( 0.3269615 0.0000000 -0.3269615), wk = 0.0027397 k( 245) = ( 0.3324109 -0.0000000 -0.3324109), wk = 0.0027397 k( 246) = ( 0.3378603 -0.0000000 -0.3378603), wk = 0.0027397 k( 247) = ( 0.3433096 0.0000000 -0.3433096), wk = 0.0027397 k( 248) = ( 0.3487590 -0.0000000 -0.3487590), wk = 0.0027397 k( 249) = ( 0.6512410 0.3487590 0.0000000), wk = 0.0027397 k( 250) = ( 0.6458396 0.3541604 -0.0000000), wk = 0.0027397 k( 251) = ( 0.6404381 0.3595619 -0.0000000), wk = 0.0027397 k( 252) = ( 0.6350366 0.3649634 -0.0000000), wk = 0.0027397 k( 253) = ( 0.6296352 0.3703648 -0.0000000), wk = 0.0027397 k( 254) = ( 0.6242337 0.3757663 -0.0000000), wk = 0.0027397 k( 255) = ( 0.6188322 0.3811678 0.0000000), wk = 0.0027397 k( 256) = ( 0.6134308 0.3865692 -0.0000000), wk = 0.0027397 k( 257) = ( 0.6080293 0.3919707 0.0000000), wk = 0.0027397 k( 258) = ( 0.6026278 0.3973722 0.0000000), wk = 0.0027397 k( 259) = ( 0.5972264 0.4027736 -0.0000000), wk = 0.0027397 k( 260) = ( 0.5918249 0.4081751 0.0000000), wk = 0.0027397 k( 261) = ( 0.5864234 0.4135766 -0.0000000), wk = 0.0027397 k( 262) = ( 0.5810220 0.4189780 -0.0000000), wk = 0.0027397 k( 263) = ( 0.5756205 0.4243795 -0.0000000), wk = 0.0027397 k( 264) = ( 0.5702190 0.4297809 -0.0000000), wk = 0.0027397 k( 265) = ( 0.5648176 0.4351824 -0.0000000), wk = 0.0027397 k( 266) = ( 0.5594161 0.4405839 -0.0000000), wk = 0.0027397 k( 267) = ( 0.5540147 0.4459853 -0.0000000), wk = 0.0027397 k( 268) = ( 0.5486132 0.4513868 0.0000000), wk = 0.0027397 k( 269) = ( 0.5432117 0.4567883 0.0000000), wk = 0.0027397 k( 270) = ( 0.5378103 0.4621897 0.0000000), wk = 0.0027397 k( 271) = ( 0.5324088 0.4675912 0.0000000), wk = 0.0027397 k( 272) = ( 0.5270073 0.4729927 0.0000000), wk = 0.0027397 k( 273) = ( 0.5216059 0.4783941 -0.0000000), wk = 0.0027397 k( 274) = ( 0.5162044 0.4837956 0.0000000), wk = 0.0027397 k( 275) = ( 0.5108029 0.4891971 -0.0000000), wk = 0.0027397 k( 276) = ( 0.5054015 0.4945985 -0.0000000), wk = 0.0027397 k( 277) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 278) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 279) = ( 0.5116339 0.5116339 0.0151937), wk = 0.0027397 k( 280) = ( 0.5232678 0.5232678 0.0303874), wk = 0.0027397 k( 281) = ( 0.5349018 0.5349018 0.0455811), wk = 0.0027397 k( 282) = ( 0.5465357 0.5465357 0.0607748), wk = 0.0027397 k( 283) = ( 0.5581696 0.5581696 0.0759684), wk = 0.0027397 k( 284) = ( 0.5698036 0.5698036 0.0911621), wk = 0.0027397 k( 285) = ( 0.5814375 0.5814375 0.1063558), wk = 0.0027397 k( 286) = ( 0.5930714 0.5930714 0.1215495), wk = 0.0027397 k( 287) = ( 0.6047053 0.6047053 0.1367432), wk = 0.0027397 k( 288) = ( 0.6163393 0.6163393 0.1519369), wk = 0.0027397 k( 289) = ( 0.6279732 0.6279732 0.1671306), wk = 0.0027397 k( 290) = ( 0.6396071 0.6396071 0.1823243), wk = 0.0027397 k( 291) = ( 0.6512410 0.6512410 0.1975179), wk = 0.0027397 k( 292) = ( 0.6512410 0.6512410 0.1975179), wk = 0.0027397 k( 293) = ( 0.6480902 0.6480902 0.2038197), wk = 0.0027397 k( 294) = ( 0.6449393 0.6449393 0.2101214), wk = 0.0027397 k( 295) = ( 0.6417885 0.6417885 0.2164231), wk = 0.0027397 k( 296) = ( 0.6386376 0.6386376 0.2227248), wk = 0.0027397 k( 297) = ( 0.6354867 0.6354867 0.2290265), wk = 0.0027397 k( 298) = ( 0.6323359 0.6323359 0.2353282), wk = 0.0027397 k( 299) = ( 0.6291850 0.6291850 0.2416299), wk = 0.0027397 k( 300) = ( 0.6260342 0.6260342 0.2479316), wk = 0.0027397 k( 301) = ( 0.6228833 0.6228833 0.2542333), wk = 0.0027397 k( 302) = ( 0.6197325 0.6197325 0.2605350), wk = 0.0027397 k( 303) = ( 0.6165816 0.6165816 0.2668367), wk = 0.0027397 k( 304) = ( 0.6134308 0.6134308 0.2731385), wk = 0.0027397 k( 305) = ( 0.6102799 0.6102799 0.2794402), wk = 0.0027397 k( 306) = ( 0.6071291 0.6071291 0.2857419), wk = 0.0027397 k( 307) = ( 0.6039782 0.6039782 0.2920436), wk = 0.0027397 k( 308) = ( 0.6008273 0.6008273 0.2983453), wk = 0.0027397 k( 309) = ( 0.5976765 0.5976765 0.3046470), wk = 0.0027397 k( 310) = ( 0.5945256 0.5945256 0.3109487), wk = 0.0027397 k( 311) = ( 0.5913748 0.5913748 0.3172504), wk = 0.0027397 k( 312) = ( 0.5882239 0.5882239 0.3235521), wk = 0.0027397 k( 313) = ( 0.5850731 0.5850731 0.3298538), wk = 0.0027397 k( 314) = ( 0.5819222 0.5819222 0.3361555), wk = 0.0027397 k( 315) = ( 0.5787714 0.5787714 0.3424573), wk = 0.0027397 k( 316) = ( 0.5756205 0.5756205 0.3487590), wk = 0.0027397 k( 317) = ( 0.5724697 0.5724697 0.3550607), wk = 0.0027397 k( 318) = ( 0.5693188 0.5693188 0.3613624), wk = 0.0027397 k( 319) = ( 0.5661679 0.5661679 0.3676641), wk = 0.0027397 k( 320) = ( 0.5630171 0.5630171 0.3739658), wk = 0.0027397 k( 321) = ( 0.5598662 0.5598662 0.3802675), wk = 0.0027397 k( 322) = ( 0.5567154 0.5567154 0.3865692), wk = 0.0027397 k( 323) = ( 0.5535645 0.5535645 0.3928709), wk = 0.0027397 k( 324) = ( 0.5504137 0.5504137 0.3991727), wk = 0.0027397 k( 325) = ( 0.5472628 0.5472628 0.4054744), wk = 0.0027397 k( 326) = ( 0.5441120 0.5441120 0.4117761), wk = 0.0027397 k( 327) = ( 0.5409611 0.5409611 0.4180778), wk = 0.0027397 k( 328) = ( 0.5378103 0.5378103 0.4243795), wk = 0.0027397 k( 329) = ( 0.5346594 0.5346594 0.4306812), wk = 0.0027397 k( 330) = ( 0.5315085 0.5315085 0.4369829), wk = 0.0027397 k( 331) = ( 0.5283577 0.5283577 0.4432846), wk = 0.0027397 k( 332) = ( 0.5252068 0.5252068 0.4495863), wk = 0.0027397 k( 333) = ( 0.5220560 0.5220560 0.4558880), wk = 0.0027397 k( 334) = ( 0.5189051 0.5189051 0.4621897), wk = 0.0027397 k( 335) = ( 0.5157543 0.5157543 0.4684914), wk = 0.0027397 k( 336) = ( 0.5126034 0.5126034 0.4747932), wk = 0.0027397 k( 337) = ( 0.5094526 0.5094526 0.4810949), wk = 0.0027397 k( 338) = ( 0.5063017 0.5063017 0.4873966), wk = 0.0027397 k( 339) = ( 0.5031509 0.5031509 0.4936983), wk = 0.0027397 k( 340) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 341) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027397 k( 342) = ( 0.5126034 0.0145316 0.0145316), wk = 0.0027397 k( 343) = ( 0.5252068 0.0290633 0.0290632), wk = 0.0027397 k( 344) = ( 0.5378103 0.0435949 0.0435949), wk = 0.0027397 k( 345) = ( 0.5504137 0.0581265 0.0581265), wk = 0.0027397 k( 346) = ( 0.5630171 0.0726581 0.0726581), wk = 0.0027397 k( 347) = ( 0.5756205 0.0871897 0.0871897), wk = 0.0027397 k( 348) = ( 0.5882239 0.1017214 0.1017214), wk = 0.0027397 k( 349) = ( 0.6008273 0.1162530 0.1162530), wk = 0.0027397 k( 350) = ( 0.6134308 0.1307846 0.1307846), wk = 0.0027397 k( 351) = ( 0.6260342 0.1453162 0.1453162), wk = 0.0027397 k( 352) = ( 0.6386376 0.1598479 0.1598479), wk = 0.0027397 k( 353) = ( 0.6512410 0.1743795 0.1743795), wk = 0.0027397 k( 354) = ( 0.6638445 0.1889111 0.1889111), wk = 0.0027397 k( 355) = ( 0.6764479 0.2034427 0.2034427), wk = 0.0027397 k( 356) = ( 0.6890513 0.2179744 0.2179744), wk = 0.0027397 k( 357) = ( 0.7016547 0.2325060 0.2325060), wk = 0.0027397 k( 358) = ( 0.7142581 0.2470376 0.2470376), wk = 0.0027397 k( 359) = ( 0.7268615 0.2615692 0.2615692), wk = 0.0027397 k( 360) = ( 0.7394650 0.2761008 0.2761008), wk = 0.0027397 k( 361) = ( 0.7520684 0.2906325 0.2906325), wk = 0.0027397 k( 362) = ( 0.7646718 0.3051641 0.3051641), wk = 0.0027397 k( 363) = ( 0.7772752 0.3196957 0.3196957), wk = 0.0027397 k( 364) = ( 0.7898786 0.3342273 0.3342273), wk = 0.0027397 k( 365) = ( 0.8024820 0.3487590 0.3487590), wk = 0.0027397 Dense grid: 31947 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23961 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 176, 32) NL pseudopotentials 0.06 Mb ( 88, 44) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 888) G-vector shells 0.01 Mb ( 703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 176, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.04 Mb ( 44, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaHF2.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.6 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.7 secs Computing kpt #: 15 total cpu time spent up to now is 4.9 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.3 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.7 secs Computing kpt #: 20 total cpu time spent up to now is 5.9 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.3 secs Computing kpt #: 23 total cpu time spent up to now is 6.5 secs Computing kpt #: 24 total cpu time spent up to now is 6.7 secs Computing kpt #: 25 total cpu time spent up to now is 6.9 secs Computing kpt #: 26 total cpu time spent up to now is 7.1 secs Computing kpt #: 27 total cpu time spent up to now is 7.3 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 7.9 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.3 secs Computing kpt #: 33 total cpu time spent up to now is 8.5 secs Computing kpt #: 34 total cpu time spent up to now is 8.7 secs Computing kpt #: 35 total cpu time spent up to now is 9.0 secs Computing kpt #: 36 total cpu time spent up to now is 9.2 secs Computing kpt #: 37 total cpu time spent up to now is 9.4 secs Computing kpt #: 38 total cpu time spent up to now is 9.6 secs Computing kpt #: 39 total cpu time spent up to now is 9.8 secs Computing kpt #: 40 total cpu time spent up to now is 10.0 secs Computing kpt #: 41 total cpu time spent up to now is 10.3 secs Computing kpt #: 42 total cpu time spent up to now is 10.5 secs Computing kpt #: 43 total cpu time spent up to now is 10.7 secs Computing kpt #: 44 total cpu time spent up to now is 10.9 secs Computing kpt #: 45 total cpu time spent up to now is 11.1 secs Computing kpt #: 46 total cpu time spent up to now is 11.3 secs Computing kpt #: 47 total cpu time spent up to now is 11.5 secs Computing kpt #: 48 total cpu time spent up to now is 11.7 secs Computing kpt #: 49 total cpu time spent up to now is 11.9 secs Computing kpt #: 50 total cpu time spent up to now is 12.1 secs Computing kpt #: 51 total cpu time spent up to now is 12.3 secs Computing kpt #: 52 total cpu time spent up to now is 12.5 secs Computing kpt #: 53 total cpu time spent up to now is 12.8 secs Computing kpt #: 54 total cpu time spent up to now is 13.0 secs Computing kpt #: 55 total cpu time spent up to now is 13.2 secs Computing kpt #: 56 total cpu time spent up to now is 13.4 secs Computing kpt #: 57 total cpu time spent up to now is 13.6 secs Computing kpt #: 58 total cpu time spent up to now is 13.8 secs Computing kpt #: 59 total cpu time spent up to now is 14.0 secs Computing kpt #: 60 total cpu time spent up to now is 14.2 secs Computing kpt #: 61 total cpu time spent up to now is 14.5 secs Computing kpt #: 62 total cpu time spent up to now is 14.7 secs Computing kpt #: 63 total cpu time spent up to now is 14.9 secs Computing kpt #: 64 total cpu time spent up to now is 15.2 secs Computing kpt #: 65 total cpu time spent up to now is 15.5 secs Computing kpt #: 66 total cpu time spent up to now is 15.9 secs Computing kpt #: 67 total cpu time spent up to now is 16.2 secs Computing kpt #: 68 total cpu time spent up to now is 16.5 secs Computing kpt #: 69 total cpu time spent up to now is 16.8 secs Computing kpt #: 70 total cpu time spent up to now is 17.1 secs Computing kpt #: 71 total cpu time spent up to now is 17.4 secs Computing kpt #: 72 total cpu time spent up to now is 17.6 secs Computing kpt #: 73 total cpu time spent up to now is 17.9 secs Computing kpt #: 74 total cpu time spent up to now is 18.2 secs Computing kpt #: 75 total cpu time spent up to now is 18.5 secs Computing kpt #: 76 total cpu time spent up to now is 18.8 secs Computing kpt #: 77 total cpu time spent up to now is 19.2 secs Computing kpt #: 78 total cpu time spent up to now is 19.5 secs Computing kpt #: 79 total cpu time spent up to now is 19.8 secs Computing kpt #: 80 total cpu time spent up to now is 20.0 secs Computing kpt #: 81 total cpu time spent up to now is 20.3 secs Computing kpt #: 82 total cpu time spent up to now is 20.5 secs Computing kpt #: 83 total cpu time spent up to now is 20.7 secs Computing kpt #: 84 total cpu time spent up to now is 20.9 secs Computing kpt #: 85 total cpu time spent up to now is 21.1 secs Computing kpt #: 86 total cpu time spent up to now is 21.3 secs Computing kpt #: 87 total cpu time spent up to now is 21.5 secs Computing kpt #: 88 total cpu time spent up to now is 21.7 secs Computing kpt #: 89 total cpu time spent up to now is 21.9 secs Computing kpt #: 90 total cpu time spent up to now is 22.1 secs Computing kpt #: 91 total cpu time spent up to now is 22.3 secs Computing kpt #: 92 total cpu time spent up to now is 22.5 secs Computing kpt #: 93 total cpu time spent up to now is 22.7 secs Computing kpt #: 94 total cpu time spent up to now is 22.9 secs Computing kpt #: 95 total cpu time spent up to now is 23.1 secs Computing kpt #: 96 total cpu time spent up to now is 23.3 secs Computing kpt #: 97 total cpu time spent up to now is 23.5 secs Computing kpt #: 98 total cpu time spent up to now is 23.7 secs Computing kpt #: 99 total cpu time spent up to now is 23.9 secs Computing kpt #: 100 total cpu time spent up to now is 24.0 secs Computing kpt #: 101 total cpu time spent up to now is 24.2 secs Computing kpt #: 102 total cpu time spent up to now is 24.4 secs Computing kpt #: 103 total cpu time spent up to now is 24.6 secs Computing kpt #: 104 total cpu time spent up to now is 24.8 secs Computing kpt #: 105 total cpu time spent up to now is 25.0 secs Computing kpt #: 106 total cpu time spent up to now is 25.2 secs Computing kpt #: 107 total cpu time spent up to now is 25.4 secs Computing kpt #: 108 total cpu time spent up to now is 25.6 secs Computing kpt #: 109 total cpu time spent up to now is 25.8 secs Computing kpt #: 110 total cpu time spent up to now is 26.0 secs Computing kpt #: 111 total cpu time spent up to now is 26.2 secs Computing kpt #: 112 total cpu time spent up to now is 26.4 secs Computing kpt #: 113 total cpu time spent up to now is 26.6 secs Computing kpt #: 114 total cpu time spent up to now is 26.8 secs Computing kpt #: 115 total cpu time spent up to now is 27.0 secs Computing kpt #: 116 total cpu time spent up to now is 27.2 secs Computing kpt #: 117 total cpu time spent up to now is 27.4 secs Computing kpt #: 118 total cpu time spent up to now is 27.6 secs Computing kpt #: 119 total cpu time spent up to now is 27.8 secs Computing kpt #: 120 total cpu time spent up to now is 28.0 secs Computing kpt #: 121 total cpu time spent up to now is 28.2 secs Computing kpt #: 122 total cpu time spent up to now is 28.4 secs Computing kpt #: 123 total cpu time spent up to now is 28.6 secs Computing kpt #: 124 total cpu time spent up to now is 28.8 secs Computing kpt #: 125 total cpu time spent up to now is 29.0 secs Computing kpt #: 126 total cpu time spent up to now is 29.3 secs Computing kpt #: 127 total cpu time spent up to now is 29.5 secs Computing kpt #: 128 total cpu time spent up to now is 29.7 secs Computing kpt #: 129 total cpu time spent up to now is 29.9 secs Computing kpt #: 130 total cpu time spent up to now is 30.1 secs Computing kpt #: 131 total cpu time spent up to now is 30.3 secs Computing kpt #: 132 total cpu time spent up to now is 30.5 secs Computing kpt #: 133 total cpu time spent up to now is 30.7 secs Computing kpt #: 134 total cpu time spent up to now is 30.9 secs Computing kpt #: 135 total cpu time spent up to now is 31.1 secs Computing kpt #: 136 total cpu time spent up to now is 31.3 secs Computing kpt #: 137 total cpu time spent up to now is 31.6 secs Computing kpt #: 138 total cpu time spent up to now is 31.8 secs Computing kpt #: 139 total cpu time spent up to now is 32.0 secs Computing kpt #: 140 total cpu time spent up to now is 32.3 secs Computing kpt #: 141 total cpu time spent up to now is 32.5 secs Computing kpt #: 142 total cpu time spent up to now is 32.7 secs Computing kpt #: 143 total cpu time spent up to now is 33.0 secs Computing kpt #: 144 total cpu time spent up to now is 33.2 secs Computing kpt #: 145 total cpu time spent up to now is 33.5 secs Computing kpt #: 146 total cpu time spent up to now is 33.8 secs Computing kpt #: 147 total cpu time spent up to now is 34.2 secs Computing kpt #: 148 total cpu time spent up to now is 34.6 secs Computing kpt #: 149 total cpu time spent up to now is 35.0 secs Computing kpt #: 150 total cpu time spent up to now is 35.5 secs Computing kpt #: 151 total cpu time spent up to now is 35.9 secs Computing kpt #: 152 total cpu time spent up to now is 36.3 secs Computing kpt #: 153 total cpu time spent up to now is 36.8 secs Computing kpt #: 154 total cpu time spent up to now is 37.1 secs Computing kpt #: 155 total cpu time spent up to now is 37.4 secs Computing kpt #: 156 total cpu time spent up to now is 37.7 secs Computing kpt #: 157 total cpu time spent up to now is 38.0 secs Computing kpt #: 158 total cpu time spent up to now is 38.2 secs Computing kpt #: 159 total cpu time spent up to now is 38.4 secs Computing kpt #: 160 total cpu time spent up to now is 38.6 secs Computing kpt #: 161 total cpu time spent up to now is 38.9 secs Computing kpt #: 162 total cpu time spent up to now is 39.1 secs Computing kpt #: 163 total cpu time spent up to now is 39.3 secs Computing kpt #: 164 total cpu time spent up to now is 39.5 secs Computing kpt #: 165 total cpu time spent up to now is 39.7 secs Computing kpt #: 166 total cpu time spent up to now is 39.9 secs Computing kpt #: 167 total cpu time spent up to now is 40.1 secs Computing kpt #: 168 total cpu time spent up to now is 40.3 secs Computing kpt #: 169 total cpu time spent up to now is 40.5 secs Computing kpt #: 170 total cpu time spent up to now is 40.7 secs Computing kpt #: 171 total cpu time spent up to now is 40.9 secs Computing kpt #: 172 total cpu time spent up to now is 41.0 secs Computing kpt #: 173 total cpu time spent up to now is 41.2 secs Computing kpt #: 174 total cpu time spent up to now is 41.4 secs Computing kpt #: 175 total cpu time spent up to now is 41.6 secs Computing kpt #: 176 total cpu time spent up to now is 41.8 secs Computing kpt #: 177 total cpu time spent up to now is 42.0 secs Computing kpt #: 178 total cpu time spent up to now is 42.2 secs Computing kpt #: 179 total cpu time spent up to now is 42.4 secs Computing kpt #: 180 total cpu time spent up to now is 42.5 secs Computing kpt #: 181 total cpu time spent up to now is 42.7 secs Computing kpt #: 182 total cpu time spent up to now is 42.9 secs Computing kpt #: 183 total cpu time spent up to now is 43.1 secs Computing kpt #: 184 total cpu time spent up to now is 43.2 secs Computing kpt #: 185 total cpu time spent up to now is 43.4 secs Computing kpt #: 186 total cpu time spent up to now is 43.6 secs Computing kpt #: 187 total cpu time spent up to now is 43.8 secs Computing kpt #: 188 total cpu time spent up to now is 44.0 secs Computing kpt #: 189 total cpu time spent up to now is 44.1 secs Computing kpt #: 190 total cpu time spent up to now is 44.3 secs Computing kpt #: 191 total cpu time spent up to now is 44.5 secs Computing kpt #: 192 total cpu time spent up to now is 44.7 secs Computing kpt #: 193 total cpu time spent up to now is 44.9 secs Computing kpt #: 194 total cpu time spent up to now is 45.1 secs Computing kpt #: 195 total cpu time spent up to now is 45.3 secs Computing kpt #: 196 total cpu time spent up to now is 45.5 secs Computing kpt #: 197 total cpu time spent up to now is 45.7 secs Computing kpt #: 198 total cpu time spent up to now is 45.9 secs Computing kpt #: 199 total cpu time spent up to now is 46.0 secs Computing kpt #: 200 total cpu time spent up to now is 46.2 secs Computing kpt #: 201 total cpu time spent up to now is 46.4 secs Computing kpt #: 202 total cpu time spent up to now is 46.6 secs Computing kpt #: 203 total cpu time spent up to now is 46.8 secs Computing kpt #: 204 total cpu time spent up to now is 47.0 secs Computing kpt #: 205 total cpu time spent up to now is 47.2 secs Computing kpt #: 206 total cpu time spent up to now is 47.4 secs Computing kpt #: 207 total cpu time spent up to now is 47.6 secs Computing kpt #: 208 total cpu time spent up to now is 47.8 secs Computing kpt #: 209 total cpu time spent up to now is 48.0 secs Computing kpt #: 210 total cpu time spent up to now is 48.2 secs Computing kpt #: 211 total cpu time spent up to now is 48.4 secs Computing kpt #: 212 total cpu time spent up to now is 48.7 secs Computing kpt #: 213 total cpu time spent up to now is 48.9 secs Computing kpt #: 214 total cpu time spent up to now is 49.1 secs Computing kpt #: 215 total cpu time spent up to now is 49.3 secs Computing kpt #: 216 total cpu time spent up to now is 49.5 secs Computing kpt #: 217 total cpu time spent up to now is 49.7 secs Computing kpt #: 218 total cpu time spent up to now is 49.9 secs Computing kpt #: 219 total cpu time spent up to now is 50.1 secs Computing kpt #: 220 total cpu time spent up to now is 50.3 secs Computing kpt #: 221 total cpu time spent up to now is 50.6 secs Computing kpt #: 222 total cpu time spent up to now is 50.9 secs Computing kpt #: 223 total cpu time spent up to now is 51.2 secs Computing kpt #: 224 total cpu time spent up to now is 51.4 secs Computing kpt #: 225 total cpu time spent up to now is 51.7 secs Computing kpt #: 226 total cpu time spent up to now is 52.0 secs Computing kpt #: 227 total cpu time spent up to now is 52.3 secs Computing kpt #: 228 total cpu time spent up to now is 52.7 secs Computing kpt #: 229 total cpu time spent up to now is 53.0 secs Computing kpt #: 230 total cpu time spent up to now is 53.4 secs Computing kpt #: 231 total cpu time spent up to now is 53.7 secs Computing kpt #: 232 total cpu time spent up to now is 54.1 secs Computing kpt #: 233 total cpu time spent up to now is 54.4 secs Computing kpt #: 234 total cpu time spent up to now is 54.7 secs Computing kpt #: 235 total cpu time spent up to now is 55.1 secs Computing kpt #: 236 total cpu time spent up to now is 55.4 secs Computing kpt #: 237 total cpu time spent up to now is 55.8 secs Computing kpt #: 238 total cpu time spent up to now is 56.1 secs Computing kpt #: 239 total cpu time spent up to now is 56.4 secs Computing kpt #: 240 total cpu time spent up to now is 56.7 secs Computing kpt #: 241 total cpu time spent up to now is 56.9 secs Computing kpt #: 242 total cpu time spent up to now is 57.2 secs Computing kpt #: 243 total cpu time spent up to now is 57.4 secs Computing kpt #: 244 total cpu time spent up to now is 57.6 secs Computing kpt #: 245 total cpu time spent up to now is 57.8 secs Computing kpt #: 246 total cpu time spent up to now is 58.0 secs Computing kpt #: 247 total cpu time spent up to now is 58.2 secs Computing kpt #: 248 total cpu time spent up to now is 58.5 secs Computing kpt #: 249 total cpu time spent up to now is 58.8 secs Computing kpt #: 250 total cpu time spent up to now is 59.0 secs Computing kpt #: 251 total cpu time spent up to now is 59.2 secs Computing kpt #: 252 total cpu time spent up to now is 59.4 secs Computing kpt #: 253 total cpu time spent up to now is 59.6 secs Computing kpt #: 254 total cpu time spent up to now is 59.9 secs Computing kpt #: 255 total cpu time spent up to now is 60.1 secs Computing kpt #: 256 total cpu time spent up to now is 60.4 secs Computing kpt #: 257 total cpu time spent up to now is 60.6 secs Computing kpt #: 258 total cpu time spent up to now is 60.8 secs Computing kpt #: 259 total cpu time spent up to now is 61.0 secs Computing kpt #: 260 total cpu time spent up to now is 61.2 secs Computing kpt #: 261 total cpu time spent up to now is 61.5 secs Computing kpt #: 262 total cpu time spent up to now is 61.7 secs Computing kpt #: 263 total cpu time spent up to now is 61.9 secs Computing kpt #: 264 total cpu time spent up to now is 62.1 secs Computing kpt #: 265 total cpu time spent up to now is 62.3 secs Computing kpt #: 266 total cpu time spent up to now is 62.5 secs Computing kpt #: 267 total cpu time spent up to now is 62.7 secs Computing kpt #: 268 total cpu time spent up to now is 62.9 secs Computing kpt #: 269 total cpu time spent up to now is 63.2 secs Computing kpt #: 270 total cpu time spent up to now is 63.4 secs Computing kpt #: 271 total cpu time spent up to now is 63.6 secs Computing kpt #: 272 total cpu time spent up to now is 63.8 secs Computing kpt #: 273 total cpu time spent up to now is 64.0 secs Computing kpt #: 274 total cpu time spent up to now is 64.2 secs Computing kpt #: 275 total cpu time spent up to now is 64.4 secs Computing kpt #: 276 total cpu time spent up to now is 64.6 secs Computing kpt #: 277 total cpu time spent up to now is 64.8 secs Computing kpt #: 278 total cpu time spent up to now is 65.0 secs Computing kpt #: 279 total cpu time spent up to now is 65.2 secs Computing kpt #: 280 total cpu time spent up to now is 65.4 secs Computing kpt #: 281 total cpu time spent up to now is 65.6 secs Computing kpt #: 282 total cpu time spent up to now is 65.8 secs Computing kpt #: 283 total cpu time spent up to now is 66.0 secs Computing kpt #: 284 total cpu time spent up to now is 66.2 secs Computing kpt #: 285 total cpu time spent up to now is 66.4 secs Computing kpt #: 286 total cpu time spent up to now is 66.6 secs Computing kpt #: 287 total cpu time spent up to now is 66.8 secs Computing kpt #: 288 total cpu time spent up to now is 67.0 secs Computing kpt #: 289 total cpu time spent up to now is 67.2 secs Computing kpt #: 290 total cpu time spent up to now is 67.4 secs Computing kpt #: 291 total cpu time spent up to now is 67.6 secs Computing kpt #: 292 total cpu time spent up to now is 67.8 secs Computing kpt #: 293 total cpu time spent up to now is 68.0 secs Computing kpt #: 294 total cpu time spent up to now is 68.2 secs Computing kpt #: 295 total cpu time spent up to now is 68.4 secs Computing kpt #: 296 total cpu time spent up to now is 68.6 secs Computing kpt #: 297 total cpu time spent up to now is 68.8 secs Computing kpt #: 298 total cpu time spent up to now is 69.0 secs Computing kpt #: 299 total cpu time spent up to now is 69.2 secs Computing kpt #: 300 total cpu time spent up to now is 69.4 secs Computing kpt #: 301 total cpu time spent up to now is 69.6 secs Computing kpt #: 302 total cpu time spent up to now is 69.8 secs Computing kpt #: 303 total cpu time spent up to now is 70.0 secs Computing kpt #: 304 total cpu time spent up to now is 70.2 secs Computing kpt #: 305 total cpu time spent up to now is 70.4 secs Computing kpt #: 306 total cpu time spent up to now is 70.6 secs Computing kpt #: 307 total cpu time spent up to now is 70.8 secs Computing kpt #: 308 total cpu time spent up to now is 71.0 secs Computing kpt #: 309 total cpu time spent up to now is 71.2 secs Computing kpt #: 310 total cpu time spent up to now is 71.4 secs Computing kpt #: 311 total cpu time spent up to now is 71.6 secs Computing kpt #: 312 total cpu time spent up to now is 71.8 secs Computing kpt #: 313 total cpu time spent up to now is 72.0 secs Computing kpt #: 314 total cpu time spent up to now is 72.2 secs Computing kpt #: 315 total cpu time spent up to now is 72.4 secs Computing kpt #: 316 total cpu time spent up to now is 72.6 secs Computing kpt #: 317 total cpu time spent up to now is 72.8 secs Computing kpt #: 318 total cpu time spent up to now is 73.0 secs Computing kpt #: 319 total cpu time spent up to now is 73.2 secs Computing kpt #: 320 total cpu time spent up to now is 73.4 secs Computing kpt #: 321 total cpu time spent up to now is 73.7 secs Computing kpt #: 322 total cpu time spent up to now is 73.9 secs Computing kpt #: 323 total cpu time spent up to now is 74.1 secs Computing kpt #: 324 total cpu time spent up to now is 74.3 secs Computing kpt #: 325 total cpu time spent up to now is 74.5 secs Computing kpt #: 326 total cpu time spent up to now is 74.7 secs Computing kpt #: 327 total cpu time spent up to now is 74.9 secs Computing kpt #: 328 total cpu time spent up to now is 75.2 secs Computing kpt #: 329 total cpu time spent up to now is 75.4 secs Computing kpt #: 330 total cpu time spent up to now is 75.6 secs Computing kpt #: 331 total cpu time spent up to now is 75.8 secs Computing kpt #: 332 total cpu time spent up to now is 76.1 secs Computing kpt #: 333 total cpu time spent up to now is 76.3 secs Computing kpt #: 334 total cpu time spent up to now is 76.5 secs Computing kpt #: 335 total cpu time spent up to now is 76.8 secs Computing kpt #: 336 total cpu time spent up to now is 77.0 secs Computing kpt #: 337 total cpu time spent up to now is 77.3 secs Computing kpt #: 338 total cpu time spent up to now is 77.6 secs Computing kpt #: 339 total cpu time spent up to now is 77.9 secs Computing kpt #: 340 total cpu time spent up to now is 78.4 secs Computing kpt #: 341 total cpu time spent up to now is 78.6 secs Computing kpt #: 342 total cpu time spent up to now is 78.8 secs Computing kpt #: 343 total cpu time spent up to now is 79.0 secs Computing kpt #: 344 total cpu time spent up to now is 79.2 secs Computing kpt #: 345 total cpu time spent up to now is 79.4 secs Computing kpt #: 346 total cpu time spent up to now is 79.6 secs Computing kpt #: 347 total cpu time spent up to now is 79.8 secs Computing kpt #: 348 total cpu time spent up to now is 80.0 secs Computing kpt #: 349 total cpu time spent up to now is 80.2 secs Computing kpt #: 350 total cpu time spent up to now is 80.4 secs Computing kpt #: 351 total cpu time spent up to now is 80.6 secs Computing kpt #: 352 total cpu time spent up to now is 80.9 secs Computing kpt #: 353 total cpu time spent up to now is 81.1 secs Computing kpt #: 354 total cpu time spent up to now is 81.3 secs Computing kpt #: 355 total cpu time spent up to now is 81.5 secs Computing kpt #: 356 total cpu time spent up to now is 81.7 secs Computing kpt #: 357 total cpu time spent up to now is 81.9 secs Computing kpt #: 358 total cpu time spent up to now is 82.1 secs Computing kpt #: 359 total cpu time spent up to now is 82.3 secs Computing kpt #: 360 total cpu time spent up to now is 82.5 secs Computing kpt #: 361 total cpu time spent up to now is 82.7 secs Computing kpt #: 362 total cpu time spent up to now is 82.9 secs Computing kpt #: 363 total cpu time spent up to now is 83.1 secs Computing kpt #: 364 total cpu time spent up to now is 83.3 secs Computing kpt #: 365 total cpu time spent up to now is 83.5 secs ethr = 4.17E-08, avg # of iterations = 15.6 total cpu time spent up to now is 83.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9224 -21.9224 -21.3019 -21.3019 -20.1568 -20.1568 -20.0170 -20.0170 -19.8589 -19.8589 -6.2894 -6.2894 -2.2520 -2.2520 -2.2510 -2.2510 -2.2119 -2.2119 -2.1959 -2.1959 -2.1766 -2.1766 4.7515 4.7515 11.3147 11.3147 12.3342 12.3342 13.7055 13.7055 k = 0.0093-0.0110-0.0069 ( 3013 PWs) bands (ev): -48.1688 -48.1688 -21.9224 -21.9224 -21.3018 -21.3018 -20.1568 -20.1568 -20.0169 -20.0169 -19.8590 -19.8590 -6.2891 -6.2891 -2.2570 -2.2570 -2.2480 -2.2480 -2.2135 -2.2135 -2.1959 -2.1959 -2.1747 -2.1747 4.7538 4.7538 11.3158 11.3158 12.3348 12.3348 13.7044 13.7044 k = 0.0185-0.0220-0.0139 ( 3015 PWs) bands (ev): -48.1688 -48.1688 -21.9226 -21.9226 -21.3014 -21.3014 -20.1566 -20.1566 -20.0167 -20.0167 -19.8595 -19.8595 -6.2881 -6.2881 -2.2648 -2.2648 -2.2462 -2.2462 -2.2170 -2.2170 -2.1966 -2.1966 -2.1698 -2.1698 4.7606 4.7606 11.3191 11.3191 12.3363 12.3363 13.7011 13.7011 k = 0.0278-0.0331-0.0208 ( 3018 PWs) bands (ev): -48.1688 -48.1688 -21.9230 -21.9230 -21.3007 -21.3007 -20.1564 -20.1564 -20.0165 -20.0165 -19.8602 -19.8602 -6.2865 -6.2865 -2.2752 -2.2752 -2.2457 -2.2457 -2.2210 -2.2210 -2.1982 -2.1982 -2.1633 -2.1633 4.7719 4.7719 11.3246 11.3246 12.3389 12.3389 13.6957 13.6957 k = 0.0370-0.0441-0.0277 ( 3025 PWs) bands (ev): -48.1688 -48.1688 -21.9234 -21.9234 -21.2997 -21.2997 -20.1562 -20.1562 -20.0161 -20.0161 -19.8613 -19.8613 -6.2843 -6.2843 -2.2878 -2.2878 -2.2464 -2.2464 -2.2246 -2.2246 -2.2007 -2.2007 -2.1561 -2.1561 4.7877 4.7877 11.3323 11.3323 12.3424 12.3424 13.6881 13.6881 k = 0.0463-0.0551-0.0346 ( 3024 PWs) bands (ev): -48.1687 -48.1687 -21.9240 -21.9240 -21.2984 -21.2984 -20.1558 -20.1558 -20.0156 -20.0156 -19.8626 -19.8626 -6.2815 -6.2815 -2.3025 -2.3025 -2.2483 -2.2483 -2.2279 -2.2279 -2.2038 -2.2038 -2.1489 -2.1489 4.8079 4.8079 11.3421 11.3421 12.3469 12.3469 13.6785 13.6785 k = 0.0556-0.0661-0.0416 ( 3023 PWs) bands (ev): -48.1687 -48.1687 -21.9247 -21.9247 -21.2969 -21.2969 -20.1554 -20.1554 -20.0150 -20.0150 -19.8642 -19.8642 -6.2780 -6.2780 -2.3190 -2.3190 -2.2516 -2.2516 -2.2307 -2.2307 -2.2072 -2.2072 -2.1419 -2.1419 4.8324 4.8324 11.3540 11.3540 12.3522 12.3522 13.6670 13.6670 k = 0.0648-0.0772-0.0485 ( 3021 PWs) bands (ev): -48.1686 -48.1686 -21.9256 -21.9256 -21.2950 -21.2950 -20.1549 -20.1549 -20.0142 -20.0142 -19.8661 -19.8661 -6.2740 -6.2740 -2.3371 -2.3371 -2.2563 -2.2563 -2.2331 -2.2331 -2.2107 -2.2107 -2.1353 -2.1353 4.8613 4.8613 11.3679 11.3679 12.3582 12.3582 13.6536 13.6536 k = 0.0741-0.0882-0.0554 ( 3017 PWs) bands (ev): -48.1686 -48.1686 -21.9265 -21.9265 -21.2929 -21.2929 -20.1543 -20.1543 -20.0133 -20.0133 -19.8682 -19.8682 -6.2693 -6.2693 -2.3568 -2.3568 -2.2623 -2.2623 -2.2353 -2.2353 -2.2143 -2.2143 -2.1292 -2.1292 4.8943 4.8943 11.3838 11.3838 12.3649 12.3649 13.6385 13.6385 k = 0.0833-0.0992-0.0624 ( 3019 PWs) bands (ev): -48.1685 -48.1685 -21.9276 -21.9276 -21.2906 -21.2906 -20.1537 -20.1537 -20.0124 -20.0124 -19.8706 -19.8706 -6.2641 -6.2641 -2.3780 -2.3780 -2.2694 -2.2694 -2.2372 -2.2372 -2.2179 -2.2179 -2.1236 -2.1236 4.9313 4.9313 11.4016 11.4016 12.3720 12.3720 13.6219 13.6219 k = 0.0926-0.1102-0.0693 ( 3023 PWs) bands (ev): -48.1684 -48.1684 -21.9288 -21.9288 -21.2880 -21.2880 -20.1531 -20.1531 -20.0113 -20.0113 -19.8733 -19.8733 -6.2583 -6.2583 -2.4006 -2.4006 -2.2774 -2.2774 -2.2391 -2.2391 -2.2215 -2.2215 -2.1187 -2.1187 4.9724 4.9724 11.4212 11.4212 12.3793 12.3793 13.6040 13.6040 k = 0.1019-0.1213-0.0762 ( 3023 PWs) bands (ev): -48.1683 -48.1683 -21.9301 -21.9301 -21.2851 -21.2851 -20.1525 -20.1525 -20.0101 -20.0101 -19.8762 -19.8762 -6.2520 -6.2520 -2.4245 -2.4245 -2.2862 -2.2862 -2.2410 -2.2410 -2.2250 -2.2250 -2.1143 -2.1143 5.0173 5.0173 11.4426 11.4426 12.3867 12.3867 13.5850 13.5850 k = 0.1111-0.1323-0.0831 ( 3019 PWs) bands (ev): -48.1682 -48.1682 -21.9315 -21.9315 -21.2820 -21.2820 -20.1519 -20.1519 -20.0088 -20.0088 -19.8792 -19.8792 -6.2451 -6.2451 -2.4497 -2.4497 -2.2955 -2.2955 -2.2430 -2.2430 -2.2286 -2.2286 -2.1106 -2.1106 5.0659 5.0659 11.4655 11.4655 12.3938 12.3938 13.5652 13.5652 k = 0.1204-0.1433-0.0901 ( 3018 PWs) bands (ev): -48.1681 -48.1681 -21.9330 -21.9330 -21.2786 -21.2786 -20.1513 -20.1513 -20.0073 -20.0073 -19.8825 -19.8825 -6.2377 -6.2377 -2.4762 -2.4762 -2.3053 -2.3053 -2.2451 -2.2451 -2.2321 -2.2321 -2.1075 -2.1075 5.1182 5.1182 11.4899 11.4899 12.4003 12.4003 13.5450 13.5450 k = 0.1296-0.1543-0.0970 ( 3022 PWs) bands (ev): -48.1680 -48.1680 -21.9345 -21.9345 -21.2750 -21.2750 -20.1507 -20.1507 -20.0059 -20.0059 -19.8860 -19.8860 -6.2299 -6.2299 -2.5038 -2.5038 -2.3153 -2.3153 -2.2473 -2.2473 -2.2357 -2.2357 -2.1051 -2.1051 5.1738 5.1738 11.5157 11.5157 12.4057 12.4057 13.5247 13.5247 k = 0.1389-0.1653-0.1039 ( 3026 PWs) bands (ev): -48.1679 -48.1679 -21.9362 -21.9362 -21.2711 -21.2711 -20.1502 -20.1502 -20.0043 -20.0043 -19.8895 -19.8895 -6.2216 -6.2216 -2.5325 -2.5325 -2.3255 -2.3255 -2.2497 -2.2497 -2.2392 -2.2392 -2.1033 -2.1033 5.2328 5.2328 11.5427 11.5427 12.4096 12.4096 13.5048 13.5048 k = 0.1481-0.1764-0.1109 ( 3030 PWs) bands (ev): -48.1678 -48.1678 -21.9379 -21.9379 -21.2671 -21.2671 -20.1498 -20.1498 -20.0027 -20.0027 -19.8932 -19.8932 -6.2128 -6.2128 -2.5622 -2.5622 -2.3357 -2.3357 -2.2523 -2.2523 -2.2427 -2.2427 -2.1022 -2.1022 5.2950 5.2950 11.5707 11.5707 12.4114 12.4114 13.4859 13.4859 k = 0.1574-0.1874-0.1178 ( 3025 PWs) bands (ev): -48.1677 -48.1677 -21.9397 -21.9397 -21.2628 -21.2628 -20.1494 -20.1494 -20.0011 -20.0011 -19.8969 -19.8969 -6.2036 -6.2036 -2.5926 -2.5926 -2.3459 -2.3459 -2.2551 -2.2551 -2.2462 -2.2462 -2.1016 -2.1016 5.3601 5.3601 11.5995 11.5995 12.4106 12.4106 13.4684 13.4684 k = 0.1667-0.1984-0.1247 ( 3023 PWs) bands (ev): -48.1676 -48.1676 -21.9416 -21.9416 -21.2583 -21.2583 -20.1491 -20.1491 -19.9994 -19.9994 -19.9007 -19.9007 -6.1941 -6.1941 -2.6239 -2.6239 -2.3560 -2.3560 -2.2582 -2.2582 -2.2496 -2.2496 -2.1017 -2.1017 5.4282 5.4282 11.6289 11.6289 12.4065 12.4065 13.4529 13.4529 k = 0.1759-0.2094-0.1316 ( 3020 PWs) bands (ev): -48.1674 -48.1674 -21.9435 -21.9435 -21.2537 -21.2537 -20.1488 -20.1488 -19.9978 -19.9978 -19.9044 -19.9044 -6.1842 -6.1842 -2.6559 -2.6559 -2.3660 -2.3660 -2.2615 -2.2615 -2.2528 -2.2528 -2.1024 -2.1024 5.4990 5.4990 11.6584 11.6584 12.3987 12.3987 13.4402 13.4402 k = 0.1852-0.2205-0.1386 ( 3020 PWs) bands (ev): -48.1673 -48.1673 -21.9455 -21.9455 -21.2488 -21.2488 -20.1487 -20.1487 -19.9963 -19.9963 -19.9080 -19.9080 -6.1740 -6.1740 -2.6884 -2.6884 -2.3757 -2.3757 -2.2652 -2.2652 -2.2559 -2.2559 -2.1038 -2.1038 5.5724 5.5724 11.6877 11.6877 12.3867 12.3867 13.4307 13.4307 k = 0.1944-0.2315-0.1455 ( 3019 PWs) bands (ev): -48.1672 -48.1672 -21.9475 -21.9475 -21.2438 -21.2438 -20.1487 -20.1487 -19.9950 -19.9950 -19.9115 -19.9115 -6.1635 -6.1635 -2.7213 -2.7213 -2.3852 -2.3852 -2.2691 -2.2691 -2.2588 -2.2588 -2.1058 -2.1058 5.6482 5.6482 11.7161 11.7161 12.3704 12.3704 13.4250 13.4250 k = 0.2037-0.2425-0.1524 ( 3017 PWs) bands (ev): -48.1670 -48.1670 -21.9495 -21.9495 -21.2386 -21.2386 -20.1489 -20.1489 -19.9938 -19.9938 -19.9147 -19.9147 -6.1527 -6.1527 -2.7545 -2.7545 -2.3944 -2.3944 -2.2731 -2.2731 -2.2617 -2.2617 -2.1083 -2.1083 5.7263 5.7263 11.7428 11.7428 12.3501 12.3501 13.4233 13.4233 k = 0.2130-0.2535-0.1593 ( 3017 PWs) bands (ev): -48.1669 -48.1669 -21.9516 -21.9516 -21.2333 -21.2333 -20.1491 -20.1491 -19.9930 -19.9930 -19.9176 -19.9176 -6.1417 -6.1417 -2.7880 -2.7880 -2.4033 -2.4033 -2.2773 -2.2773 -2.2645 -2.2645 -2.1115 -2.1115 5.8066 5.8066 11.7663 11.7663 12.3267 12.3267 13.4258 13.4258 k = 0.2222-0.2646-0.1663 ( 3019 PWs) bands (ev): -48.1667 -48.1667 -21.9536 -21.9536 -21.2279 -21.2279 -20.1495 -20.1495 -19.9926 -19.9926 -19.9200 -19.9200 -6.1305 -6.1305 -2.8215 -2.8215 -2.4117 -2.4117 -2.2817 -2.2817 -2.2673 -2.2673 -2.1152 -2.1152 5.8889 5.8889 11.7846 11.7846 12.3022 12.3022 13.4324 13.4324 k = 0.2315-0.2756-0.1732 ( 3013 PWs) bands (ev): -48.1666 -48.1666 -21.9557 -21.9557 -21.2223 -21.2223 -20.1500 -20.1500 -19.9927 -19.9927 -19.9219 -19.9219 -6.1191 -6.1191 -2.8551 -2.8551 -2.4198 -2.4198 -2.2861 -2.2861 -2.2700 -2.2700 -2.1195 -2.1195 5.9731 5.9731 11.7951 11.7951 12.2792 12.2792 13.4429 13.4429 k = 0.2407-0.2866-0.1801 ( 3012 PWs) bands (ev): -48.1664 -48.1664 -21.9578 -21.9578 -21.2167 -21.2167 -20.1507 -20.1507 -19.9933 -19.9933 -19.9232 -19.9232 -6.1077 -6.1077 -2.8885 -2.8885 -2.4274 -2.4274 -2.2905 -2.2905 -2.2728 -2.2728 -2.1243 -2.1243 6.0590 6.0590 11.7942 11.7942 12.2615 12.2615 13.4568 13.4568 k = 0.2500-0.2976-0.1871 ( 3006 PWs) bands (ev): -48.1663 -48.1663 -21.9599 -21.9599 -21.2110 -21.2110 -20.1515 -20.1515 -19.9944 -19.9944 -19.9239 -19.9239 -6.0961 -6.0961 -2.9217 -2.9217 -2.4345 -2.4345 -2.2950 -2.2950 -2.2755 -2.2755 -2.1296 -2.1296 6.1466 6.1466 11.7785 11.7785 12.2529 12.2529 13.4735 13.4735 k = 0.2593-0.3086-0.1940 ( 3006 PWs) bands (ev): -48.1661 -48.1661 -21.9619 -21.9619 -21.2052 -21.2052 -20.1525 -20.1525 -19.9962 -19.9962 -19.9239 -19.9239 -6.0846 -6.0846 -2.9545 -2.9545 -2.4411 -2.4411 -2.2995 -2.2995 -2.2781 -2.2781 -2.1354 -2.1354 6.2356 6.2356 11.7465 11.7465 12.2555 12.2555 13.4921 13.4921 k = 0.2685-0.3197-0.2009 ( 3010 PWs) bands (ev): -48.1660 -48.1660 -21.9640 -21.9640 -21.1993 -21.1993 -20.1537 -20.1537 -19.9984 -19.9984 -19.9234 -19.9234 -6.0730 -6.0730 -2.9870 -2.9870 -2.4472 -2.4472 -2.3041 -2.3041 -2.2808 -2.2808 -2.1416 -2.1416 6.3260 6.3260 11.6987 11.6987 12.2691 12.2691 13.5119 13.5119 k = 0.2778-0.3307-0.2078 ( 3010 PWs) bands (ev): -48.1658 -48.1658 -21.9660 -21.9660 -21.1935 -21.1935 -20.1550 -20.1550 -20.0011 -20.0011 -19.9223 -19.9223 -6.0614 -6.0614 -3.0189 -3.0189 -2.4527 -2.4527 -2.3085 -2.3085 -2.2834 -2.2834 -2.1483 -2.1483 6.4176 6.4176 11.6377 11.6377 12.2918 12.2918 13.5318 13.5318 k = 0.2870-0.3417-0.2148 ( 3012 PWs) bands (ev): -48.1657 -48.1657 -21.9680 -21.9680 -21.1876 -21.1876 -20.1564 -20.1564 -20.0041 -20.0041 -19.9208 -19.9208 -6.0500 -6.0500 -3.0503 -3.0503 -2.4577 -2.4577 -2.3130 -2.3130 -2.2860 -2.2860 -2.1554 -2.1554 6.5103 6.5103 11.5662 11.5662 12.3216 12.3216 13.5508 13.5508 k = 0.2963-0.3527-0.2217 ( 3008 PWs) bands (ev): -48.1656 -48.1656 -21.9700 -21.9700 -21.1817 -21.1817 -20.1580 -20.1580 -20.0073 -20.0073 -19.9189 -19.9189 -6.0386 -6.0386 -3.0810 -3.0810 -2.4621 -2.4621 -2.3174 -2.3174 -2.2885 -2.2885 -2.1629 -2.1629 6.6041 6.6041 11.4866 11.4866 12.3567 12.3567 13.5676 13.5676 k = 0.3056-0.3638-0.2286 ( 3004 PWs) bands (ev): -48.1654 -48.1654 -21.9719 -21.9719 -21.1759 -21.1759 -20.1598 -20.1598 -20.0107 -20.0107 -19.9168 -19.9168 -6.0274 -6.0274 -3.1108 -3.1108 -2.4660 -2.4660 -2.3217 -2.3217 -2.2910 -2.2910 -2.1707 -2.1707 6.6987 6.6987 11.4007 11.4007 12.3956 12.3956 13.5810 13.5810 k = 0.3148-0.3748-0.2356 ( 3010 PWs) bands (ev): -48.1653 -48.1653 -21.9737 -21.9737 -21.1701 -21.1701 -20.1617 -20.1617 -20.0142 -20.0142 -19.9145 -19.9145 -6.0164 -6.0164 -3.1399 -3.1399 -2.4692 -2.4692 -2.3259 -2.3259 -2.2934 -2.2934 -2.1788 -2.1788 6.7940 6.7940 11.3099 11.3099 12.4376 12.4376 13.5902 13.5902 k = 0.3241-0.3858-0.2425 ( 3008 PWs) bands (ev): -48.1651 -48.1651 -21.9755 -21.9755 -21.1644 -21.1644 -20.1637 -20.1637 -20.0176 -20.0176 -19.9119 -19.9119 -6.0057 -6.0057 -3.1680 -3.1680 -2.4719 -2.4719 -2.3301 -2.3301 -2.2958 -2.2958 -2.1872 -2.1872 6.8899 6.8899 11.2155 11.2155 12.4819 12.4819 13.5945 13.5945 k = 0.3333-0.3968-0.2494 ( 3006 PWs) bands (ev): -48.1650 -48.1650 -21.9773 -21.9773 -21.1588 -21.1588 -20.1658 -20.1658 -20.0211 -20.0211 -19.9093 -19.9093 -5.9952 -5.9952 -3.1951 -3.1951 -2.4739 -2.4739 -2.3341 -2.3341 -2.2981 -2.2981 -2.1959 -2.1959 6.9863 6.9863 11.1182 11.1182 12.5281 12.5281 13.5941 13.5941 k = 0.3426-0.4079-0.2563 ( 3008 PWs) bands (ev): -48.1649 -48.1649 -21.9790 -21.9790 -21.1533 -21.1533 -20.1681 -20.1681 -20.0245 -20.0245 -19.9067 -19.9067 -5.9850 -5.9850 -3.2212 -3.2212 -2.4754 -2.4754 -2.3380 -2.3380 -2.3003 -2.3003 -2.2048 -2.2048 7.0830 7.0830 11.0188 11.0188 12.5758 12.5758 13.5898 13.5898 k = 0.3519-0.4189-0.2633 ( 3008 PWs) bands (ev): -48.1648 -48.1648 -21.9806 -21.9806 -21.1480 -21.1480 -20.1704 -20.1704 -20.0277 -20.0277 -19.9041 -19.9041 -5.9751 -5.9751 -3.2461 -3.2461 -2.4763 -2.4763 -2.3418 -2.3418 -2.3024 -2.3024 -2.2138 -2.2138 7.1799 7.1799 10.9180 10.9180 12.6247 12.6247 13.5827 13.5827 k = 0.3611-0.4299-0.2702 ( 3004 PWs) bands (ev): -48.1646 -48.1646 -21.9821 -21.9821 -21.1428 -21.1428 -20.1728 -20.1728 -20.0308 -20.0308 -19.9014 -19.9014 -5.9657 -5.9657 -3.2698 -3.2698 -2.4766 -2.4766 -2.3454 -2.3454 -2.3044 -2.3044 -2.2229 -2.2229 7.2768 7.2768 10.8162 10.8162 12.6746 12.6746 13.5739 13.5739 k = 0.3704-0.4409-0.2771 ( 3000 PWs) bands (ev): -48.1645 -48.1645 -21.9836 -21.9836 -21.1378 -21.1378 -20.1752 -20.1752 -20.0337 -20.0337 -19.8988 -19.8988 -5.9566 -5.9566 -3.2923 -3.2923 -2.4763 -2.4763 -2.3489 -2.3489 -2.3064 -2.3064 -2.2321 -2.2321 7.3736 7.3736 10.7141 10.7141 12.7250 12.7250 13.5647 13.5647 k = 0.3796-0.4519-0.2841 ( 3002 PWs) bands (ev): -48.1644 -48.1644 -21.9849 -21.9849 -21.1331 -21.1331 -20.1776 -20.1776 -20.0365 -20.0365 -19.8964 -19.8964 -5.9481 -5.9481 -3.3135 -3.3135 -2.4756 -2.4756 -2.3523 -2.3523 -2.3082 -2.3082 -2.2412 -2.2412 7.4699 7.4699 10.6119 10.6119 12.7758 12.7758 13.5561 13.5561 k = 0.3889-0.4630-0.2910 ( 2997 PWs) bands (ev): -48.1643 -48.1643 -21.9862 -21.9862 -21.1285 -21.1285 -20.1800 -20.1800 -20.0390 -20.0390 -19.8940 -19.8940 -5.9400 -5.9400 -3.3333 -3.3333 -2.4742 -2.4742 -2.3555 -2.3555 -2.3099 -2.3099 -2.2504 -2.2504 7.5656 7.5656 10.5103 10.5103 12.8265 12.8265 13.5489 13.5490 k = 0.3981-0.4740-0.2979 ( 2988 PWs) bands (ev): -48.1642 -48.1642 -21.9874 -21.9874 -21.1243 -21.1243 -20.1823 -20.1823 -20.0413 -20.0413 -19.8916 -19.8916 -5.9324 -5.9324 -3.3517 -3.3517 -2.4725 -2.4725 -2.3585 -2.3585 -2.3115 -2.3115 -2.2593 -2.2593 7.6603 7.6603 10.4097 10.4097 12.8766 12.8766 13.5440 13.5440 k = 0.4074-0.4850-0.3048 ( 2991 PWs) bands (ev): -48.1641 -48.1641 -21.9885 -21.9885 -21.1203 -21.1203 -20.1846 -20.1846 -20.0435 -20.0435 -19.8896 -19.8896 -5.9254 -5.9254 -3.3687 -3.3687 -2.4703 -2.4703 -2.3614 -2.3614 -2.3130 -2.3130 -2.2682 -2.2682 7.7536 7.7536 10.3107 10.3107 12.9255 12.9255 13.5421 13.5421 k = 0.4167-0.4960-0.3118 ( 2989 PWs) bands (ev): -48.1641 -48.1641 -21.9895 -21.9895 -21.1166 -21.1166 -20.1868 -20.1868 -20.0454 -20.0454 -19.8876 -19.8876 -5.9189 -5.9189 -3.3841 -3.3841 -2.4677 -2.4677 -2.3641 -2.3641 -2.3144 -2.3144 -2.2767 -2.2767 7.8450 7.8450 10.2138 10.2138 12.9725 12.9725 13.5440 13.5440 k = 0.4259-0.5071-0.3187 ( 2991 PWs) bands (ev): -48.1640 -48.1640 -21.9904 -21.9904 -21.1133 -21.1133 -20.1888 -20.1888 -20.0471 -20.0471 -19.8859 -19.8859 -5.9131 -5.9131 -3.3981 -3.3981 -2.4648 -2.4648 -2.3667 -2.3667 -2.3157 -2.3157 -2.2848 -2.2848 7.9339 7.9339 10.1198 10.1198 13.0165 13.0165 13.5506 13.5506 k = 0.4352-0.5181-0.3256 ( 2992 PWs) bands (ev): -48.1639 -48.1639 -21.9912 -21.9912 -21.1103 -21.1103 -20.1907 -20.1907 -20.0486 -20.0486 -19.8843 -19.8843 -5.9079 -5.9079 -3.4105 -3.4105 -2.4617 -2.4617 -2.3691 -2.3691 -2.3169 -2.3169 -2.2924 -2.2924 8.0194 8.0194 10.0296 10.0296 13.0566 13.0566 13.5628 13.5628 k = 0.4444-0.5291-0.3326 ( 2992 PWs) bands (ev): -48.1639 -48.1639 -21.9919 -21.9919 -21.1076 -21.1076 -20.1924 -20.1924 -20.0498 -20.0498 -19.8829 -19.8829 -5.9033 -5.9033 -3.4213 -3.4213 -2.4584 -2.4584 -2.3714 -2.3714 -2.3180 -2.3180 -2.2993 -2.2993 8.1004 8.1004 9.9445 9.9445 13.0918 13.0918 13.5813 13.5813 k = 0.4537-0.5401-0.3395 ( 2988 PWs) bands (ev): -48.1638 -48.1638 -21.9925 -21.9925 -21.1054 -21.1054 -20.1939 -20.1939 -20.0509 -20.0509 -19.8817 -19.8817 -5.8994 -5.8994 -3.4304 -3.4304 -2.4551 -2.4551 -2.3735 -2.3735 -2.3190 -2.3190 -2.3053 -2.3053 8.1754 8.1754 9.8659 9.8659 13.1213 13.1213 13.6063 13.6063 k = 0.4630-0.5512-0.3464 ( 2980 PWs) bands (ev): -48.1638 -48.1638 -21.9930 -21.9930 -21.1035 -21.1035 -20.1951 -20.1951 -20.0517 -20.0517 -19.8806 -19.8806 -5.8962 -5.8962 -3.4380 -3.4380 -2.4520 -2.4520 -2.3754 -2.3754 -2.3201 -2.3201 -2.3103 -2.3103 8.2424 8.2424 9.7959 9.7959 13.1448 13.1448 13.6373 13.6373 k = 0.4722-0.5622-0.3533 ( 2982 PWs) bands (ev): -48.1637 -48.1637 -21.9934 -21.9934 -21.1020 -21.1020 -20.1960 -20.1960 -20.0524 -20.0524 -19.8799 -19.8799 -5.8937 -5.8937 -3.4439 -3.4439 -2.4492 -2.4492 -2.3771 -2.3771 -2.3215 -2.3215 -2.3139 -2.3139 8.2991 8.2991 9.7369 9.7369 13.1622 13.1622 13.6726 13.6726 k = 0.4815-0.5732-0.3603 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9937 -21.9937 -21.1010 -21.1010 -20.1968 -20.1968 -20.0529 -20.0529 -19.8793 -19.8793 -5.8919 -5.8919 -3.4481 -3.4481 -2.4470 -2.4470 -2.3784 -2.3784 -2.3230 -2.3230 -2.3160 -2.3160 8.3427 8.3427 9.6916 9.6916 13.1741 13.1741 13.7085 13.7085 k = 0.4907-0.5842-0.3672 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.9938 -21.9938 -21.1003 -21.1003 -20.1972 -20.1972 -20.0533 -20.0533 -19.8790 -19.8790 -5.8908 -5.8908 -3.4506 -3.4506 -2.4456 -2.4456 -2.3793 -2.3793 -2.3242 -2.3242 -2.3171 -2.3171 8.3703 8.3703 9.6630 9.6630 13.1810 13.1810 13.7380 13.7380 k = 0.5000-0.5952-0.3741 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9939 -21.9939 -21.1001 -21.1001 -20.1973 -20.1973 -20.0533 -20.0533 -19.8789 -19.8789 -5.8905 -5.8905 -3.4515 -3.4515 -2.4451 -2.4451 -2.3796 -2.3796 -2.3246 -2.3246 -2.3174 -2.3174 8.3798 8.3798 9.6532 9.6532 13.1833 13.1833 13.7501 13.7501 k = 0.5000-0.5952-0.3741 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9939 -21.9939 -21.1001 -21.1001 -20.1973 -20.1973 -20.0533 -20.0533 -19.8789 -19.8789 -5.8905 -5.8905 -3.4515 -3.4515 -2.4451 -2.4451 -2.3796 -2.3796 -2.3246 -2.3246 -2.3174 -2.3174 8.3798 8.3798 9.6532 9.6532 13.1833 13.1833 13.7501 13.7501 k = 0.5000-0.5867-0.3877 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9937 -21.9937 -21.1005 -21.1005 -20.1972 -20.1972 -20.0532 -20.0532 -19.8790 -19.8790 -5.8904 -5.8904 -3.4510 -3.4510 -2.4456 -2.4456 -2.3798 -2.3798 -2.3309 -2.3309 -2.3113 -2.3113 8.3813 8.3813 9.6539 9.6539 13.1805 13.1805 13.7517 13.7517 k = 0.5000-0.5782-0.4013 ( 2982 PWs) bands (ev): -48.1637 -48.1637 -21.9932 -21.9932 -21.1016 -21.1016 -20.1968 -20.1968 -20.0525 -20.0525 -19.8793 -19.8793 -5.8900 -5.8900 -3.4498 -3.4498 -2.4471 -2.4471 -2.3807 -2.3807 -2.3399 -2.3399 -2.3031 -2.3031 8.3860 8.3860 9.6562 9.6562 13.1719 13.1719 13.7562 13.7562 k = 0.5000-0.5697-0.4148 ( 2982 PWs) bands (ev): -48.1637 -48.1637 -21.9923 -21.9923 -21.1035 -21.1035 -20.1962 -20.1962 -20.0515 -20.0515 -19.8799 -19.8799 -5.8894 -5.8894 -3.4477 -3.4477 -2.4496 -2.4496 -2.3827 -2.3827 -2.3486 -2.3486 -2.2952 -2.2952 8.3937 8.3937 9.6600 9.6600 13.1575 13.1575 13.7638 13.7638 k = 0.5000-0.5611-0.4284 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9910 -21.9910 -21.1062 -21.1062 -20.1954 -20.1954 -20.0501 -20.0501 -19.8807 -19.8807 -5.8885 -5.8885 -3.4449 -3.4449 -2.4532 -2.4532 -2.3866 -2.3866 -2.3560 -2.3560 -2.2877 -2.2877 8.4044 8.4044 9.6652 9.6652 13.1367 13.1367 13.7744 13.7744 k = 0.5000-0.5526-0.4420 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9895 -21.9895 -21.1095 -21.1095 -20.1943 -20.1943 -20.0482 -20.0482 -19.8818 -19.8818 -5.8874 -5.8874 -3.4412 -3.4412 -2.4579 -2.4579 -2.3934 -2.3934 -2.3609 -2.3609 -2.2807 -2.2807 8.4182 8.4182 9.6720 9.6720 13.1090 13.1090 13.7878 13.7878 k = 0.5000-0.5441-0.4556 ( 2994 PWs) bands (ev): -48.1637 -48.1637 -21.9875 -21.9875 -21.1136 -21.1136 -20.1931 -20.1931 -20.0460 -20.0460 -19.8830 -19.8830 -5.8860 -5.8860 -3.4367 -3.4367 -2.4636 -2.4636 -2.4031 -2.4031 -2.3634 -2.3634 -2.2743 -2.2743 8.4350 8.4350 9.6803 9.6803 13.0741 13.0741 13.8041 13.8041 k = 0.5000-0.5355-0.4691 ( 2998 PWs) bands (ev): -48.1637 -48.1637 -21.9853 -21.9853 -21.1183 -21.1183 -20.1917 -20.1917 -20.0434 -20.0434 -19.8845 -19.8845 -5.8844 -5.8844 -3.4314 -3.4314 -2.4704 -2.4704 -2.4148 -2.4148 -2.3641 -2.3641 -2.2683 -2.2683 8.4547 8.4547 9.6901 9.6901 13.0315 13.0315 13.8229 13.8229 k = 0.5000-0.5270-0.4827 ( 3008 PWs) bands (ev): -48.1637 -48.1637 -21.9827 -21.9827 -21.1236 -21.1236 -20.1903 -20.1903 -20.0404 -20.0404 -19.8861 -19.8861 -5.8826 -5.8826 -3.4254 -3.4254 -2.4783 -2.4783 -2.4278 -2.4278 -2.3638 -2.3638 -2.2628 -2.2628 8.4772 8.4772 9.7015 9.7015 12.9808 12.9808 13.8442 13.8442 k = 0.5000-0.5185-0.4963 ( 3006 PWs) bands (ev): -48.1636 -48.1636 -21.9798 -21.9798 -21.1296 -21.1296 -20.1887 -20.1887 -20.0369 -20.0369 -19.8879 -19.8879 -5.8806 -5.8806 -3.4185 -3.4185 -2.4872 -2.4872 -2.4418 -2.4418 -2.3627 -2.3627 -2.2578 -2.2578 8.5026 8.5026 9.7144 9.7144 12.9221 12.9221 13.8676 13.8676 k = 0.5000-0.5099-0.5098 ( 3006 PWs) bands (ev): -48.1636 -48.1636 -21.9766 -21.9766 -21.1360 -21.1360 -20.1871 -20.1871 -20.0332 -20.0332 -19.8898 -19.8898 -5.8783 -5.8783 -3.4109 -3.4109 -2.4971 -2.4971 -2.4565 -2.4565 -2.3611 -2.3611 -2.2533 -2.2533 8.5308 8.5308 9.7289 9.7289 12.8555 12.8555 13.8837 13.8837 k = 0.5000-0.5014-0.5234 ( 3006 PWs) bands (ev): -48.1636 -48.1636 -21.9731 -21.9731 -21.1430 -21.1430 -20.1854 -20.1854 -20.0290 -20.0290 -19.8919 -19.8919 -5.8758 -5.8758 -3.4026 -3.4026 -2.5081 -2.5081 -2.4717 -2.4717 -2.3590 -2.3590 -2.2492 -2.2492 8.5616 8.5616 9.7449 9.7449 12.7814 12.7814 13.8725 13.8725 k = 0.5000-0.4929-0.5370 ( 3002 PWs) bands (ev): -48.1635 -48.1635 -21.9693 -21.9693 -21.1504 -21.1504 -20.1838 -20.1838 -20.0246 -20.0246 -19.8941 -19.8941 -5.8732 -5.8732 -3.3936 -3.3936 -2.5199 -2.5199 -2.4874 -2.4874 -2.3566 -2.3566 -2.2456 -2.2456 8.5950 8.5950 9.7625 9.7625 12.7003 12.7003 13.8636 13.8636 k = 0.5000-0.4843-0.5506 ( 3002 PWs) bands (ev): -48.1635 -48.1635 -21.9652 -21.9652 -21.1582 -21.1582 -20.1822 -20.1822 -20.0199 -20.0199 -19.8964 -19.8964 -5.8703 -5.8703 -3.3839 -3.3839 -2.5327 -2.5327 -2.5034 -2.5034 -2.3538 -2.3538 -2.2424 -2.2424 8.6309 8.6309 9.7816 9.7816 12.6130 12.6130 13.8574 13.8574 k = 0.5000-0.4758-0.5641 ( 3000 PWs) bands (ev): -48.1635 -48.1635 -21.9609 -21.9609 -21.1664 -21.1664 -20.1807 -20.1807 -20.0150 -20.0150 -19.8987 -19.8987 -5.8672 -5.8672 -3.3735 -3.3735 -2.5463 -2.5463 -2.5197 -2.5197 -2.3506 -2.3506 -2.2396 -2.2396 8.6692 8.6692 9.8024 9.8024 12.5201 12.5201 13.8539 13.8539 k = 0.5000-0.4673-0.5777 ( 3002 PWs) bands (ev): -48.1635 -48.1635 -21.9563 -21.9563 -21.1749 -21.1749 -20.1792 -20.1792 -20.0100 -20.0100 -19.9010 -19.9010 -5.8640 -5.8640 -3.3625 -3.3625 -2.5608 -2.5608 -2.5361 -2.5361 -2.3471 -2.3471 -2.2373 -2.2373 8.7098 8.7098 9.8248 9.8248 12.4224 12.4224 13.8530 13.8530 k = 0.5000-0.4588-0.5913 ( 3002 PWs) bands (ev): -48.1634 -48.1634 -21.9515 -21.9515 -21.1837 -21.1837 -20.1778 -20.1778 -20.0048 -20.0048 -19.9033 -19.9033 -5.8606 -5.8606 -3.3508 -3.3508 -2.5761 -2.5761 -2.5526 -2.5526 -2.3434 -2.3434 -2.2352 -2.2352 8.7525 8.7525 9.8488 9.8488 12.3206 12.3206 13.8543 13.8543 k = 0.5000-0.4502-0.6048 ( 3000 PWs) bands (ev): -48.1634 -48.1634 -21.9464 -21.9464 -21.1927 -21.1927 -20.1765 -20.1765 -19.9997 -19.9997 -19.9054 -19.9054 -5.8571 -5.8571 -3.3386 -3.3386 -2.5921 -2.5921 -2.5691 -2.5691 -2.3394 -2.3394 -2.2336 -2.2336 8.7974 8.7974 9.8745 9.8745 12.2154 12.2154 13.8579 13.8579 k = 0.5000-0.4417-0.6184 ( 3000 PWs) bands (ev): -48.1634 -48.1634 -21.9412 -21.9412 -21.2019 -21.2019 -20.1754 -20.1754 -19.9947 -19.9947 -19.9074 -19.9074 -5.8534 -5.8534 -3.3257 -3.3257 -2.6088 -2.6088 -2.5855 -2.5855 -2.3351 -2.3351 -2.2322 -2.2322 8.8442 8.8442 9.9019 9.9019 12.1074 12.1074 13.8634 13.8634 k = 0.5000-0.4332-0.6320 ( 3000 PWs) bands (ev): -48.1633 -48.1633 -21.9358 -21.9358 -21.2113 -21.2113 -20.1743 -20.1743 -19.9900 -19.9900 -19.9090 -19.9090 -5.8495 -5.8495 -3.3124 -3.3124 -2.6261 -2.6261 -2.6019 -2.6019 -2.3305 -2.3305 -2.2312 -2.2312 8.8928 8.8928 9.9309 9.9309 11.9972 11.9972 13.8707 13.8708 k = 0.5000-0.4246-0.6456 ( 2994 PWs) bands (ev): -48.1633 -48.1633 -21.9302 -21.9302 -21.2207 -21.2207 -20.1733 -20.1733 -19.9857 -19.9857 -19.9101 -19.9101 -5.8456 -5.8456 -3.2985 -3.2985 -2.6437 -2.6437 -2.6181 -2.6181 -2.3257 -2.3257 -2.2305 -2.2305 8.9432 8.9432 9.9617 9.9617 11.8852 11.8852 13.8698 13.8698 k = 0.5000-0.4161-0.6591 ( 2992 PWs) bands (ev): -48.1633 -48.1633 -21.9245 -21.9245 -21.2302 -21.2302 -20.1725 -20.1725 -19.9819 -19.9819 -19.9107 -19.9107 -5.8415 -5.8415 -3.2842 -3.2842 -2.6616 -2.6616 -2.6343 -2.6343 -2.3206 -2.3206 -2.2301 -2.2301 8.9950 8.9950 9.9942 9.9942 11.7719 11.7719 13.8193 13.8193 k = 0.5000-0.4076-0.6727 ( 3000 PWs) bands (ev): -48.1632 -48.1632 -21.9186 -21.9186 -21.2397 -21.2397 -20.1718 -20.1718 -19.9789 -19.9789 -19.9107 -19.9107 -5.8374 -5.8374 -3.2694 -3.2694 -2.6797 -2.6797 -2.6504 -2.6504 -2.3154 -2.3154 -2.2299 -2.2299 9.0483 9.0483 10.0285 10.0285 11.6577 11.6577 13.7617 13.7617 k = 0.5000-0.3990-0.6863 ( 3000 PWs) bands (ev): -48.1632 -48.1632 -21.9127 -21.9127 -21.2492 -21.2492 -20.1712 -20.1712 -19.9767 -19.9767 -19.9098 -19.9098 -5.8331 -5.8331 -3.2542 -3.2542 -2.6979 -2.6979 -2.6663 -2.6663 -2.3099 -2.3099 -2.2300 -2.2300 9.1028 9.1028 10.0646 10.0646 11.5431 11.5431 13.6983 13.6983 k = 0.5000-0.3905-0.6999 ( 2998 PWs) bands (ev): -48.1632 -48.1632 -21.9067 -21.9067 -21.2587 -21.2587 -20.1707 -20.1707 -19.9754 -19.9754 -19.9080 -19.9080 -5.8288 -5.8288 -3.2387 -3.2387 -2.7161 -2.7161 -2.6820 -2.6820 -2.3043 -2.3043 -2.2303 -2.2303 9.1583 9.1583 10.1025 10.1025 11.4283 11.4283 13.6297 13.6297 k = 0.5000-0.3820-0.7134 ( 2996 PWs) bands (ev): -48.1632 -48.1632 -21.9006 -21.9006 -21.2681 -21.2681 -20.1703 -20.1703 -19.9749 -19.9749 -19.9054 -19.9054 -5.8244 -5.8244 -3.2228 -3.2228 -2.7342 -2.7342 -2.6975 -2.6975 -2.2984 -2.2984 -2.2308 -2.2308 9.2147 9.2147 10.1422 10.1422 11.3138 11.3138 13.5563 13.5563 k = 0.5000-0.3735-0.7270 ( 3002 PWs) bands (ev): -48.1631 -48.1631 -21.8945 -21.8945 -21.2773 -21.2773 -20.1700 -20.1700 -19.9753 -19.9753 -19.9022 -19.9022 -5.8200 -5.8200 -3.2066 -3.2066 -2.7522 -2.7522 -2.7127 -2.7127 -2.2925 -2.2925 -2.2314 -2.2314 9.2716 9.2716 10.1838 10.1838 11.1999 11.1999 13.4783 13.4783 k = 0.5000-0.3649-0.7406 ( 3000 PWs) bands (ev): -48.1631 -48.1631 -21.8884 -21.8884 -21.2865 -21.2865 -20.1698 -20.1698 -19.9762 -19.9762 -19.8984 -19.8984 -5.8156 -5.8156 -3.1901 -3.1901 -2.7699 -2.7699 -2.7276 -2.7276 -2.2863 -2.2863 -2.2322 -2.2322 9.3288 9.3288 10.2274 10.2274 11.0870 11.0870 13.3963 13.3963 k = 0.5000-0.3564-0.7541 ( 2996 PWs) bands (ev): -48.1631 -48.1631 -21.8823 -21.8823 -21.2954 -21.2954 -20.1696 -20.1696 -19.9776 -19.9776 -19.8942 -19.8942 -5.8111 -5.8111 -3.1734 -3.1734 -2.7874 -2.7874 -2.7420 -2.7420 -2.2801 -2.2801 -2.2330 -2.2330 9.3858 9.3858 10.2728 10.2728 10.9755 10.9755 13.3104 13.3104 k = 0.5000-0.3479-0.7677 ( 3000 PWs) bands (ev): -48.1631 -48.1631 -21.8762 -21.8762 -21.3042 -21.3042 -20.1696 -20.1696 -19.9795 -19.9795 -19.8898 -19.8898 -5.8066 -5.8066 -3.1566 -3.1566 -2.8044 -2.8044 -2.7560 -2.7560 -2.2739 -2.2739 -2.2338 -2.2338 9.4423 9.4423 10.3202 10.3202 10.8659 10.8659 13.2211 13.2211 k = 0.5000-0.3393-0.7813 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8702 -21.8702 -21.3127 -21.3127 -20.1696 -20.1696 -19.9815 -19.9815 -19.8852 -19.8852 -5.8021 -5.8021 -3.1396 -3.1396 -2.8211 -2.8211 -2.7694 -2.7694 -2.2679 -2.2679 -2.2344 -2.2344 9.4974 9.4974 10.3696 10.3696 10.7591 10.7591 13.1286 13.1286 k = 0.5000-0.3308-0.7949 ( 2996 PWs) bands (ev): -48.1631 -48.1631 -21.8643 -21.8643 -21.3210 -21.3210 -20.1697 -20.1697 -19.9837 -19.9837 -19.8807 -19.8807 -5.7976 -5.7976 -3.1226 -3.1226 -2.8373 -2.8373 -2.7823 -2.7823 -2.2622 -2.2622 -2.2346 -2.2346 9.5501 9.5501 10.4210 10.4210 10.6561 10.6561 13.0333 13.0333 k = 0.5000-0.3223-0.8084 ( 2996 PWs) bands (ev): -48.1631 -48.1631 -21.8585 -21.8585 -21.3290 -21.3290 -20.1698 -20.1698 -19.9860 -19.9860 -19.8763 -19.8763 -5.7931 -5.7931 -3.1056 -3.1056 -2.8529 -2.8529 -2.7946 -2.7946 -2.2573 -2.2573 -2.2340 -2.2340 9.5989 9.5989 10.4743 10.4743 10.5585 10.5585 12.9356 12.9356 k = 0.5000-0.3137-0.8220 ( 2992 PWs) bands (ev): -48.1631 -48.1631 -21.8528 -21.8528 -21.3368 -21.3368 -20.1700 -20.1700 -19.9883 -19.9883 -19.8720 -19.8720 -5.7887 -5.7887 -3.0886 -3.0886 -2.8678 -2.8678 -2.8062 -2.8062 -2.2539 -2.2539 -2.2318 -2.2318 9.6413 9.6413 10.4678 10.4678 10.5304 10.5304 12.8356 12.8356 k = 0.5000-0.3052-0.8356 ( 2996 PWs) bands (ev): -48.1631 -48.1631 -21.8473 -21.8473 -21.3442 -21.3442 -20.1703 -20.1703 -19.9906 -19.9906 -19.8680 -19.8680 -5.7843 -5.7843 -3.0718 -3.0718 -2.8821 -2.8821 -2.8171 -2.8171 -2.2523 -2.2523 -2.2277 -2.2277 9.6735 9.6735 10.3896 10.3896 10.5878 10.5878 12.7337 12.7337 k = 0.5000-0.2967-0.8491 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8420 -21.8420 -21.3513 -21.3513 -20.1705 -20.1705 -19.9928 -19.9928 -19.8641 -19.8641 -5.7799 -5.7799 -3.0554 -3.0554 -2.8954 -2.8954 -2.8272 -2.8272 -2.2521 -2.2521 -2.2221 -2.2221 9.6899 9.6899 10.3282 10.3282 10.6475 10.6475 12.6302 12.6302 k = 0.5000-0.2882-0.8627 ( 2992 PWs) bands (ev): -48.1632 -48.1632 -21.8368 -21.8368 -21.3581 -21.3581 -20.1707 -20.1707 -19.9949 -19.9949 -19.8605 -19.8605 -5.7756 -5.7756 -3.0395 -3.0395 -2.9076 -2.9076 -2.8366 -2.8366 -2.2527 -2.2527 -2.2156 -2.2156 9.6846 9.6846 10.2899 10.2899 10.7092 10.7092 12.5254 12.5254 k = 0.8025-0.1780-0.6338 ( 2992 PWs) bands (ev): -48.1632 -48.1632 -21.8368 -21.8368 -21.3581 -21.3581 -20.1707 -20.1707 -19.9949 -19.9949 -19.8605 -19.8605 -5.7756 -5.7756 -3.0395 -3.0395 -2.9076 -2.9076 -2.8366 -2.8366 -2.2527 -2.2527 -2.2156 -2.2156 9.6846 9.6846 10.2899 10.2899 10.7092 10.7092 12.5254 12.5254 k = 0.7970-0.1714-0.6202 ( 2990 PWs) bands (ev): -48.1632 -48.1632 -21.8319 -21.8319 -21.3646 -21.3646 -20.1710 -20.1710 -19.9969 -19.9969 -19.8572 -19.8572 -5.7714 -5.7714 -3.0246 -3.0246 -2.9183 -2.9183 -2.8450 -2.8450 -2.2538 -2.2538 -2.2085 -2.2085 9.6542 9.6542 10.2776 10.2776 10.7732 10.7732 12.4193 12.4193 k = 0.7915-0.1649-0.6066 ( 2992 PWs) bands (ev): -48.1632 -48.1632 -21.8272 -21.8272 -21.3707 -21.3707 -20.1713 -20.1713 -19.9988 -19.9988 -19.8543 -19.8543 -5.7672 -5.7672 -3.0117 -3.0117 -2.9266 -2.9266 -2.8526 -2.8526 -2.2550 -2.2550 -2.2011 -2.2011 9.6012 9.6012 10.2891 10.2891 10.8393 10.8393 12.3124 12.3124 k = 0.7860-0.1583-0.5930 ( 2994 PWs) bands (ev): -48.1633 -48.1633 -21.8227 -21.8227 -21.3764 -21.3764 -20.1715 -20.1715 -20.0006 -20.0006 -19.8517 -19.8517 -5.7631 -5.7631 -3.0022 -3.0022 -2.9310 -2.9310 -2.8593 -2.8593 -2.2564 -2.2564 -2.1935 -2.1935 9.5318 9.5318 10.3180 10.3180 10.9072 10.9072 12.2050 12.2050 k = 0.7805-0.1518-0.5794 ( 2994 PWs) bands (ev): -48.1633 -48.1633 -21.8186 -21.8186 -21.3817 -21.3817 -20.1717 -20.1717 -20.0022 -20.0022 -19.8495 -19.8495 -5.7590 -5.7590 -2.9980 -2.9980 -2.9298 -2.9298 -2.8648 -2.8648 -2.2577 -2.2577 -2.1857 -2.1857 9.4518 9.4518 10.3586 10.3586 10.9770 10.9770 12.0977 12.0977 k = 0.7750-0.1452-0.5657 ( 2994 PWs) bands (ev): -48.1634 -48.1634 -21.8147 -21.8147 -21.3866 -21.3866 -20.1719 -20.1719 -20.0036 -20.0036 -19.8477 -19.8477 -5.7551 -5.7551 -2.9992 -2.9992 -2.9230 -2.9230 -2.8692 -2.8692 -2.2589 -2.2589 -2.1778 -2.1778 9.3656 9.3656 10.4063 10.4063 11.0480 11.0480 11.9910 11.9910 k = 0.7695-0.1387-0.5521 ( 2994 PWs) bands (ev): -48.1635 -48.1635 -21.8111 -21.8111 -21.3911 -21.3911 -20.1720 -20.1720 -20.0049 -20.0049 -19.8462 -19.8462 -5.7512 -5.7512 -3.0039 -3.0039 -2.9128 -2.9128 -2.8719 -2.8719 -2.2600 -2.2600 -2.1698 -2.1698 9.2758 9.2758 10.4584 10.4584 11.1197 11.1197 11.8857 11.8857 k = 0.7640-0.1321-0.5385 ( 2992 PWs) bands (ev): -48.1635 -48.1635 -21.8079 -21.8079 -21.3952 -21.3952 -20.1720 -20.1720 -20.0061 -20.0061 -19.8452 -19.8452 -5.7474 -5.7474 -3.0104 -3.0104 -2.9022 -2.9022 -2.8721 -2.8721 -2.2610 -2.2610 -2.1617 -2.1617 9.1840 9.1840 10.5133 10.5133 11.1902 11.1902 11.7840 11.7840 k = 0.7585-0.1256-0.5249 ( 2986 PWs) bands (ev): -48.1636 -48.1636 -21.8050 -21.8050 -21.3989 -21.3989 -20.1719 -20.1719 -20.0070 -20.0070 -19.8445 -19.8445 -5.7437 -5.7437 -3.0175 -3.0175 -2.8943 -2.8943 -2.8676 -2.8676 -2.2617 -2.2617 -2.1536 -2.1536 9.0914 9.0914 10.5697 10.5697 11.2550 11.2550 11.6906 11.6906 k = 0.7530-0.1190-0.5113 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.8024 -21.8024 -21.4021 -21.4021 -20.1718 -20.1718 -20.0078 -20.0078 -19.8442 -19.8442 -5.7401 -5.7401 -3.0247 -3.0247 -2.8905 -2.8905 -2.8575 -2.8575 -2.2622 -2.2622 -2.1455 -2.1455 8.9987 8.9987 10.6268 10.6268 11.3007 11.3007 11.6188 11.6188 k = 0.7475-0.1125-0.4977 ( 2992 PWs) bands (ev): -48.1638 -48.1638 -21.8001 -21.8001 -21.4050 -21.4050 -20.1715 -20.1715 -20.0085 -20.0085 -19.8444 -19.8444 -5.7366 -5.7366 -3.0317 -3.0317 -2.8887 -2.8887 -2.8444 -2.8444 -2.2625 -2.2625 -2.1373 -2.1373 8.9062 8.9062 10.6842 10.6842 11.2983 11.2983 11.5980 11.5980 k = 0.7420-0.1059-0.4841 ( 2998 PWs) bands (ev): -48.1639 -48.1639 -21.7982 -21.7982 -21.4075 -21.4075 -20.1712 -20.1712 -20.0090 -20.0090 -19.8451 -19.8451 -5.7331 -5.7331 -3.0386 -3.0386 -2.8871 -2.8871 -2.8300 -2.8300 -2.2624 -2.2624 -2.1292 -2.1292 8.8143 8.8143 10.7414 10.7414 11.2389 11.2389 11.6372 11.6372 k = 0.7365-0.0994-0.4705 ( 3002 PWs) bands (ev): -48.1640 -48.1640 -21.7967 -21.7967 -21.4095 -21.4095 -20.1708 -20.1708 -20.0093 -20.0093 -19.8461 -19.8461 -5.7298 -5.7298 -3.0451 -3.0451 -2.8852 -2.8852 -2.8153 -2.8153 -2.2619 -2.2619 -2.1211 -2.1211 8.7233 8.7233 10.7981 10.7981 11.1510 11.1510 11.7081 11.7081 k = 0.7310-0.0929-0.4569 ( 3004 PWs) bands (ev): -48.1641 -48.1641 -21.7955 -21.7955 -21.4111 -21.4111 -20.1702 -20.1702 -20.0094 -20.0094 -19.8475 -19.8475 -5.7265 -5.7265 -3.0512 -3.0512 -2.8825 -2.8825 -2.8005 -2.8005 -2.2611 -2.2611 -2.1130 -2.1130 8.6332 8.6332 10.8540 10.8540 11.0528 11.0528 11.7926 11.7926 k = 0.7255-0.0863-0.4433 ( 2998 PWs) bands (ev): -48.1642 -48.1642 -21.7947 -21.7947 -21.4122 -21.4122 -20.1695 -20.1695 -20.0094 -20.0094 -19.8492 -19.8492 -5.7233 -5.7233 -3.0570 -3.0570 -2.8791 -2.8791 -2.7857 -2.7857 -2.2598 -2.2598 -2.1050 -2.1050 8.5443 8.5443 10.9085 10.9085 10.9510 10.9510 11.8845 11.8845 k = 0.7200-0.0798-0.4297 ( 2994 PWs) bands (ev): -48.1643 -48.1643 -21.7942 -21.7942 -21.4130 -21.4130 -20.1687 -20.1687 -20.0092 -20.0092 -19.8514 -19.8514 -5.7202 -5.7202 -3.0624 -3.0624 -2.8749 -2.8749 -2.7711 -2.7711 -2.2580 -2.2580 -2.0970 -2.0970 8.4566 8.4566 10.8463 10.8463 10.9633 10.9633 11.9815 11.9815 k = 0.7145-0.0732-0.4161 ( 3002 PWs) bands (ev): -48.1644 -48.1644 -21.7940 -21.7940 -21.4134 -21.4134 -20.1679 -20.1679 -20.0089 -20.0089 -19.8540 -19.8540 -5.7171 -5.7171 -3.0675 -3.0675 -2.8700 -2.8700 -2.7567 -2.7567 -2.2558 -2.2558 -2.0891 -2.0891 8.3703 8.3703 10.7422 10.7422 11.0157 11.0157 12.0825 12.0825 k = 0.7090-0.0667-0.4025 ( 3000 PWs) bands (ev): -48.1645 -48.1645 -21.7942 -21.7942 -21.4133 -21.4133 -20.1669 -20.1669 -20.0085 -20.0085 -19.8568 -19.8568 -5.7142 -5.7142 -3.0723 -3.0723 -2.8642 -2.8642 -2.7426 -2.7426 -2.2530 -2.2530 -2.0812 -2.0812 8.2853 8.2853 10.6382 10.6382 11.0669 11.0669 12.1871 12.1871 k = 0.7035-0.0601-0.3889 ( 3010 PWs) bands (ev): -48.1647 -48.1647 -21.7947 -21.7947 -21.4129 -21.4129 -20.1659 -20.1659 -20.0079 -20.0079 -19.8601 -19.8601 -5.7113 -5.7113 -3.0769 -3.0769 -2.8577 -2.8577 -2.7288 -2.7288 -2.2497 -2.2497 -2.0735 -2.0735 8.2018 8.2018 10.5347 10.5347 11.1165 11.1165 12.2950 12.2950 k = 0.6980-0.0536-0.3753 ( 3008 PWs) bands (ev): -48.1648 -48.1648 -21.7955 -21.7955 -21.4121 -21.4121 -20.1648 -20.1648 -20.0071 -20.0071 -19.8637 -19.8637 -5.7085 -5.7085 -3.0811 -3.0811 -2.8505 -2.8505 -2.7153 -2.7153 -2.2457 -2.2457 -2.0659 -2.0659 8.1197 8.1197 10.4321 10.4321 11.1644 11.1644 12.4061 12.4061 k = 0.6925-0.0470-0.3617 ( 3010 PWs) bands (ev): -48.1650 -48.1650 -21.7967 -21.7967 -21.4109 -21.4109 -20.1637 -20.1637 -20.0062 -20.0062 -19.8675 -19.8675 -5.7057 -5.7057 -3.0852 -3.0852 -2.8426 -2.8426 -2.7022 -2.7022 -2.2412 -2.2412 -2.0583 -2.0583 8.0392 8.0392 10.3305 10.3305 11.2107 11.2107 12.5203 12.5203 k = 0.6870-0.0405-0.3481 ( 3008 PWs) bands (ev): -48.1651 -48.1651 -21.7981 -21.7981 -21.4093 -21.4093 -20.1625 -20.1625 -20.0052 -20.0052 -19.8716 -19.8716 -5.7030 -5.7030 -3.0891 -3.0891 -2.8340 -2.8340 -2.6895 -2.6895 -2.2360 -2.2360 -2.0509 -2.0509 7.9603 7.9603 10.2300 10.2300 11.2551 11.2551 12.6374 12.6374 k = 0.6815-0.0339-0.3345 ( 3002 PWs) bands (ev): -48.1652 -48.1652 -21.7998 -21.7998 -21.4074 -21.4074 -20.1613 -20.1613 -20.0040 -20.0040 -19.8760 -19.8760 -5.7004 -5.7004 -3.0928 -3.0928 -2.8248 -2.8248 -2.6772 -2.6772 -2.2301 -2.2301 -2.0435 -2.0435 7.8830 7.8830 10.1308 10.1308 11.2977 11.2977 12.7575 12.7575 k = 0.6760-0.0274-0.3209 ( 3000 PWs) bands (ev): -48.1654 -48.1654 -21.8017 -21.8017 -21.4052 -21.4052 -20.1600 -20.1600 -20.0028 -20.0028 -19.8806 -19.8806 -5.6978 -5.6978 -3.0965 -3.0965 -2.8150 -2.8150 -2.6653 -2.6653 -2.2235 -2.2235 -2.0363 -2.0363 7.8073 7.8073 10.0331 10.0331 11.3383 11.3383 12.8805 12.8805 k = 0.6705-0.0208-0.3073 ( 3004 PWs) bands (ev): -48.1655 -48.1655 -21.8039 -21.8039 -21.4026 -21.4026 -20.1589 -20.1589 -20.0014 -20.0014 -19.8855 -19.8855 -5.6953 -5.6953 -3.1000 -3.1000 -2.8047 -2.8047 -2.6539 -2.6539 -2.2163 -2.2163 -2.0293 -2.0293 7.7334 7.7334 9.9369 9.9369 11.3770 11.3770 13.0064 13.0064 k = 0.6650-0.0143-0.2937 ( 3002 PWs) bands (ev): -48.1657 -48.1657 -21.8062 -21.8062 -21.3997 -21.3997 -20.1577 -20.1577 -19.9999 -19.9999 -19.8904 -19.8904 -5.6928 -5.6928 -3.1034 -3.1034 -2.7939 -2.7939 -2.6429 -2.6429 -2.2084 -2.2084 -2.0224 -2.0224 7.6611 7.6611 9.8424 9.8424 11.4137 11.4137 13.1351 13.1351 k = 0.6595-0.0077-0.2801 ( 3000 PWs) bands (ev): -48.1658 -48.1658 -21.8088 -21.8088 -21.3966 -21.3966 -20.1566 -20.1566 -19.9984 -19.9984 -19.8955 -19.8955 -5.6905 -5.6905 -3.1068 -3.1068 -2.7827 -2.7827 -2.6324 -2.6324 -2.1998 -2.1998 -2.0157 -2.0157 7.5907 7.5907 9.7497 9.7497 11.4485 11.4485 13.2666 13.2666 k = 0.6540-0.0012-0.2664 ( 2998 PWs) bands (ev): -48.1660 -48.1660 -21.8116 -21.8116 -21.3932 -21.3932 -20.1555 -20.1555 -19.9968 -19.9968 -19.9007 -19.9007 -5.6881 -5.6881 -3.1101 -3.1101 -2.7711 -2.7711 -2.6224 -2.6224 -2.1905 -2.1905 -2.0092 -2.0092 7.5220 7.5220 9.6588 9.6588 11.4812 11.4812 13.4009 13.4009 k = 0.6485 0.0054-0.2528 ( 2992 PWs) bands (ev): -48.1661 -48.1661 -21.8145 -21.8145 -21.3895 -21.3895 -20.1546 -20.1546 -19.9951 -19.9951 -19.9060 -19.9060 -5.6858 -5.6858 -3.1134 -3.1134 -2.7591 -2.7591 -2.6128 -2.6128 -2.1806 -2.1806 -2.0028 -2.0028 7.4552 7.4552 9.5699 9.5699 11.5120 11.5120 13.5379 13.5379 k = 0.6430 0.0119-0.2392 ( 2994 PWs) bands (ev): -48.1663 -48.1663 -21.8175 -21.8175 -21.3856 -21.3856 -20.1537 -20.1537 -19.9935 -19.9935 -19.9112 -19.9112 -5.6836 -5.6836 -3.1167 -3.1167 -2.7469 -2.7469 -2.6038 -2.6038 -2.1701 -2.1701 -1.9966 -1.9966 7.3903 7.3903 9.4831 9.4831 11.5408 11.5408 13.6775 13.6775 k = 0.6375 0.0185-0.2256 ( 2996 PWs) bands (ev): -48.1664 -48.1664 -21.8207 -21.8207 -21.3816 -21.3816 -20.1530 -20.1530 -19.9918 -19.9918 -19.9164 -19.9164 -5.6814 -5.6814 -3.1200 -3.1200 -2.7345 -2.7345 -2.5953 -2.5953 -2.1591 -2.1591 -1.9905 -1.9905 7.3273 7.3273 9.3984 9.3984 11.5677 11.5677 13.8198 13.8198 k = 0.6320 0.0250-0.2120 ( 2992 PWs) bands (ev): -48.1666 -48.1666 -21.8239 -21.8239 -21.3773 -21.3773 -20.1524 -20.1524 -19.9903 -19.9903 -19.9214 -19.9214 -5.6793 -5.6793 -3.1232 -3.1232 -2.7219 -2.7219 -2.5873 -2.5873 -2.1476 -2.1476 -1.9847 -1.9847 7.2662 7.2662 9.3160 9.3160 11.5928 11.5928 13.9646 13.9646 k = 0.6265 0.0315-0.1984 ( 2994 PWs) bands (ev): -48.1667 -48.1667 -21.8272 -21.8272 -21.3729 -21.3729 -20.1519 -20.1519 -19.9889 -19.9889 -19.9263 -19.9263 -5.6772 -5.6772 -3.1264 -3.1264 -2.7093 -2.7093 -2.5797 -2.5797 -2.1356 -2.1356 -1.9790 -1.9790 7.2072 7.2072 9.2360 9.2360 11.6160 11.6160 14.1119 14.1119 k = 0.6210 0.0381-0.1848 ( 2998 PWs) bands (ev): -48.1669 -48.1669 -21.8305 -21.8305 -21.3684 -21.3684 -20.1517 -20.1517 -19.9877 -19.9877 -19.9308 -19.9308 -5.6752 -5.6752 -3.1297 -3.1297 -2.6966 -2.6966 -2.5727 -2.5727 -2.1232 -2.1232 -1.9736 -1.9736 7.1502 7.1502 9.1584 9.1584 11.6375 11.6375 14.2616 14.2616 k = 0.6155 0.0446-0.1712 ( 2998 PWs) bands (ev): -48.1670 -48.1670 -21.8339 -21.8339 -21.3638 -21.3638 -20.1515 -20.1515 -19.9868 -19.9868 -19.9349 -19.9349 -5.6733 -5.6733 -3.1329 -3.1329 -2.6840 -2.6840 -2.5661 -2.5661 -2.1106 -2.1106 -1.9683 -1.9683 7.0953 7.0953 9.0834 9.0834 11.6573 11.6573 14.4136 14.4136 k = 0.6100 0.0512-0.1576 ( 2998 PWs) bands (ev): -48.1672 -48.1672 -21.8372 -21.8372 -21.3591 -21.3591 -20.1516 -20.1516 -19.9863 -19.9863 -19.9384 -19.9384 -5.6715 -5.6715 -3.1360 -3.1360 -2.6714 -2.6714 -2.5599 -2.5599 -2.0977 -2.0977 -1.9632 -1.9632 7.0426 7.0426 9.0111 9.0111 11.6755 11.6755 14.5678 14.5678 k = 0.6045 0.0577-0.1440 ( 2998 PWs) bands (ev): -48.1673 -48.1673 -21.8406 -21.8406 -21.3543 -21.3543 -20.1518 -20.1518 -19.9863 -19.9863 -19.9413 -19.9413 -5.6697 -5.6697 -3.1391 -3.1391 -2.6591 -2.6591 -2.5541 -2.5541 -2.0848 -2.0848 -1.9583 -1.9583 6.9920 6.9920 8.9416 8.9416 11.6922 11.6922 14.7240 14.7240 k = 0.5990 0.0643-0.1304 ( 2998 PWs) bands (ev): -48.1675 -48.1675 -21.8439 -21.8439 -21.3496 -21.3496 -20.1521 -20.1521 -19.9870 -19.9870 -19.9434 -19.9434 -5.6679 -5.6679 -3.1422 -3.1422 -2.6469 -2.6469 -2.5488 -2.5488 -2.0718 -2.0718 -1.9536 -1.9536 6.9436 6.9436 8.8748 8.8748 11.7074 11.7074 14.8822 14.8822 k = 0.5935 0.0708-0.1168 ( 3006 PWs) bands (ev): -48.1676 -48.1676 -21.8471 -21.8471 -21.3449 -21.3449 -20.1527 -20.1527 -19.9882 -19.9882 -19.9448 -19.9448 -5.6663 -5.6663 -3.1452 -3.1452 -2.6351 -2.6351 -2.5438 -2.5438 -2.0590 -2.0590 -1.9491 -1.9491 6.8976 6.8976 8.8111 8.8111 11.7212 11.7212 15.0421 15.0421 k = 0.5880 0.0774-0.1032 ( 3002 PWs) bands (ev): -48.1677 -48.1677 -21.8503 -21.8503 -21.3402 -21.3402 -20.1534 -20.1534 -19.9900 -19.9900 -19.9454 -19.9454 -5.6647 -5.6647 -3.1481 -3.1481 -2.6236 -2.6236 -2.5391 -2.5391 -2.0462 -2.0462 -1.9447 -1.9447 6.8538 6.8538 8.7504 8.7504 11.7338 11.7338 15.2035 15.2035 k = 0.5825 0.0839-0.0896 ( 3008 PWs) bands (ev): -48.1678 -48.1678 -21.8534 -21.8534 -21.3356 -21.3356 -20.1542 -20.1542 -19.9922 -19.9922 -19.9454 -19.9454 -5.6632 -5.6632 -3.1509 -3.1509 -2.6126 -2.6126 -2.5347 -2.5347 -2.0339 -2.0339 -1.9405 -1.9405 6.8125 6.8125 8.6928 8.6928 11.7451 11.7451 15.3663 15.3663 k = 0.5770 0.0905-0.0760 ( 3004 PWs) bands (ev): -48.1680 -48.1680 -21.8563 -21.8563 -21.3311 -21.3311 -20.1552 -20.1552 -19.9946 -19.9946 -19.9449 -19.9449 -5.6617 -5.6617 -3.1537 -3.1537 -2.6020 -2.6020 -2.5306 -2.5306 -2.0219 -2.0219 -1.9365 -1.9365 6.7735 6.7735 8.6385 8.6385 11.7553 11.7553 15.5303 15.5303 k = 0.5715 0.0970-0.0624 ( 3010 PWs) bands (ev): -48.1681 -48.1681 -21.8591 -21.8591 -21.3268 -21.3268 -20.1563 -20.1563 -19.9973 -19.9973 -19.9441 -19.9441 -5.6604 -5.6604 -3.1563 -3.1563 -2.5921 -2.5921 -2.5268 -2.5268 -2.0104 -2.0104 -1.9326 -1.9326 6.7370 6.7370 8.5875 8.5875 11.7644 11.7644 15.6950 15.6950 k = 0.5660 0.1036-0.0488 ( 3008 PWs) bands (ev): -48.1682 -48.1682 -21.8618 -21.8618 -21.3227 -21.3227 -20.1574 -20.1574 -19.9999 -19.9999 -19.9431 -19.9431 -5.6591 -5.6591 -3.1587 -3.1587 -2.5828 -2.5828 -2.5231 -2.5231 -1.9995 -1.9995 -1.9288 -1.9288 6.7030 6.7030 8.5399 8.5399 11.7725 11.7725 15.8603 15.8603 k = 0.5605 0.1101-0.0352 ( 3012 PWs) bands (ev): -48.1683 -48.1683 -21.8643 -21.8643 -21.3187 -21.3187 -20.1587 -20.1587 -20.0024 -20.0024 -19.9419 -19.9419 -5.6579 -5.6579 -3.1611 -3.1611 -2.5742 -2.5742 -2.5197 -2.5197 -1.9894 -1.9894 -1.9251 -1.9251 6.6715 6.6715 8.4957 8.4957 11.7797 11.7797 16.0257 16.0257 k = 0.5550 0.1167-0.0216 ( 3012 PWs) bands (ev): -48.1684 -48.1684 -21.8667 -21.8667 -21.3150 -21.3150 -20.1600 -20.1600 -20.0049 -20.0049 -19.9407 -19.9407 -5.6569 -5.6569 -3.1633 -3.1633 -2.5664 -2.5664 -2.5163 -2.5163 -1.9800 -1.9800 -1.9214 -1.9214 6.6427 6.6427 8.4552 8.4552 11.7860 11.7860 16.1908 16.1908 k = 0.5495 0.1232-0.0080 ( 3018 PWs) bands (ev): -48.1685 -48.1685 -21.8688 -21.8688 -21.3115 -21.3115 -20.1613 -20.1613 -20.0072 -20.0072 -19.9395 -19.9395 -5.6559 -5.6559 -3.1653 -3.1653 -2.5595 -2.5595 -2.5131 -2.5131 -1.9716 -1.9716 -1.9179 -1.9179 6.6164 6.6164 8.4182 8.4182 11.7916 11.7916 16.3552 16.3552 k = 0.5440 0.1298 0.0056 ( 3020 PWs) bands (ev): -48.1685 -48.1685 -21.8708 -21.8708 -21.3083 -21.3083 -20.1625 -20.1625 -20.0092 -20.0092 -19.9383 -19.9383 -5.6550 -5.6550 -3.1671 -3.1671 -2.5534 -2.5534 -2.5100 -2.5100 -1.9642 -1.9642 -1.9144 -1.9144 6.5928 6.5928 8.3850 8.3850 11.7964 11.7964 16.5182 16.5182 k = 0.5385 0.1363 0.0192 ( 3024 PWs) bands (ev): -48.1686 -48.1686 -21.8725 -21.8725 -21.3055 -21.3055 -20.1637 -20.1637 -20.0111 -20.0111 -19.9373 -19.9373 -5.6542 -5.6542 -3.1688 -3.1688 -2.5481 -2.5481 -2.5071 -2.5071 -1.9578 -1.9578 -1.9110 -1.9110 6.5719 6.5719 8.3555 8.3555 11.8005 11.8005 16.6792 16.6792 k = 0.5330 0.1428 0.0328 ( 3024 PWs) bands (ev): -48.1687 -48.1687 -21.8741 -21.8741 -21.3029 -21.3029 -20.1648 -20.1648 -20.0126 -20.0126 -19.9363 -19.9363 -5.6535 -5.6535 -3.1702 -3.1702 -2.5438 -2.5438 -2.5043 -2.5043 -1.9525 -1.9525 -1.9077 -1.9077 6.5538 6.5538 8.3298 8.3298 11.8040 11.8040 16.8375 16.8375 k = 0.5275 0.1494 0.0465 ( 3024 PWs) bands (ev): -48.1687 -48.1687 -21.8754 -21.8754 -21.3008 -21.3008 -20.1658 -20.1658 -20.0140 -20.0140 -19.9354 -19.9354 -5.6529 -5.6529 -3.1715 -3.1715 -2.5402 -2.5402 -2.5018 -2.5018 -1.9481 -1.9481 -1.9047 -1.9047 6.5383 6.5383 8.3080 8.3080 11.8069 11.8069 16.9922 16.9922 k = 0.5220 0.1559 0.0601 ( 3024 PWs) bands (ev): -48.1688 -48.1688 -21.8765 -21.8765 -21.2989 -21.2989 -20.1667 -20.1667 -20.0151 -20.0151 -19.9347 -19.9347 -5.6524 -5.6524 -3.1725 -3.1725 -2.5375 -2.5375 -2.4995 -2.4995 -1.9447 -1.9447 -1.9020 -1.9020 6.5257 6.5257 8.2901 8.2901 11.8092 11.8092 17.1422 17.1422 k = 0.5165 0.1625 0.0737 ( 3028 PWs) bands (ev): -48.1688 -48.1688 -21.8773 -21.8773 -21.2975 -21.2975 -20.1674 -20.1674 -20.0160 -20.0160 -19.9341 -19.9341 -5.6521 -5.6521 -3.1733 -3.1733 -2.5354 -2.5354 -2.4977 -2.4977 -1.9421 -1.9421 -1.8998 -1.8998 6.5158 6.5158 8.2762 8.2762 11.8109 11.8109 17.2860 17.2860 k = 0.5110 0.1690 0.0873 ( 3032 PWs) bands (ev): -48.1688 -48.1688 -21.8779 -21.8779 -21.2965 -21.2965 -20.1679 -20.1679 -20.0166 -20.0166 -19.9337 -19.9337 -5.6518 -5.6518 -3.1739 -3.1739 -2.5340 -2.5340 -2.4964 -2.4964 -1.9404 -1.9404 -1.8981 -1.8981 6.5088 6.5088 8.2662 8.2662 11.8122 11.8122 17.4211 17.4211 k = 0.5055 0.1756 0.1009 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8783 -21.8783 -21.2959 -21.2959 -20.1682 -20.1682 -20.0170 -20.0170 -19.9334 -19.9334 -5.6516 -5.6516 -3.1742 -3.1742 -2.5331 -2.5331 -2.4955 -2.4955 -1.9393 -1.9393 -1.8971 -1.8971 6.5045 6.5045 8.2602 8.2602 11.8129 11.8129 17.5395 17.5395 k = 0.5000 0.1821 0.1145 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8784 -21.8784 -21.2957 -21.2957 -20.1683 -20.1683 -20.0171 -20.0171 -19.9333 -19.9333 -5.6516 -5.6516 -3.1743 -3.1743 -2.5328 -2.5328 -2.4953 -2.4953 -1.9390 -1.9390 -1.8967 -1.8967 6.5031 6.5031 8.2582 8.2582 11.8132 11.8132 17.5975 17.5975 k = 0.5000 0.1821 0.1145 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8784 -21.8784 -21.2957 -21.2957 -20.1683 -20.1683 -20.0171 -20.0171 -19.9333 -19.9333 -5.6516 -5.6516 -3.1743 -3.1743 -2.5328 -2.5328 -2.4953 -2.4953 -1.9390 -1.9390 -1.8967 -1.8967 6.5031 6.5031 8.2582 8.2582 11.8132 11.8132 17.5975 17.5975 k = 0.4853 0.1768 0.1111 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8785 -21.8785 -21.2957 -21.2957 -20.1683 -20.1683 -20.0171 -20.0171 -19.9332 -19.9332 -5.6534 -5.6534 -3.1719 -3.1719 -2.5325 -2.5325 -2.4950 -2.4950 -1.9393 -1.9393 -1.8971 -1.8971 6.4959 6.4959 8.2664 8.2664 11.8145 11.8145 17.5966 17.5966 k = 0.4706 0.1714 0.1077 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8788 -21.8788 -21.2957 -21.2957 -20.1682 -20.1682 -20.0171 -20.0171 -19.9327 -19.9327 -5.6587 -5.6587 -3.1646 -3.1646 -2.5316 -2.5316 -2.4940 -2.4940 -1.9403 -1.9403 -1.8981 -1.8981 6.4748 6.4748 8.2907 8.2907 11.8186 11.8186 17.5940 17.5940 k = 0.4559 0.1661 0.1044 ( 3028 PWs) bands (ev): -48.1688 -48.1688 -21.8793 -21.8793 -21.2958 -21.2958 -20.1680 -20.1680 -20.0171 -20.0171 -19.9319 -19.9319 -5.6676 -5.6676 -3.1525 -3.1525 -2.5301 -2.5301 -2.4925 -2.4925 -1.9420 -1.9420 -1.8998 -1.8998 6.4409 6.4409 8.3300 8.3300 11.8253 11.8253 17.5898 17.5898 k = 0.4412 0.1607 0.1010 ( 3022 PWs) bands (ev): -48.1688 -48.1688 -21.8799 -21.8799 -21.2959 -21.2959 -20.1678 -20.1678 -20.0171 -20.0171 -19.9308 -19.9308 -5.6797 -5.6797 -3.1358 -3.1358 -2.5280 -2.5280 -2.4904 -2.4904 -1.9443 -1.9443 -1.9021 -1.9021 6.3958 6.3958 8.3827 8.3827 11.8347 11.8347 17.5842 17.5842 k = 0.4265 0.1553 0.0976 ( 3028 PWs) bands (ev): -48.1688 -48.1688 -21.8808 -21.8808 -21.2961 -21.2961 -20.1675 -20.1675 -20.0171 -20.0171 -19.9295 -19.9295 -5.6950 -5.6950 -3.1149 -3.1149 -2.5252 -2.5252 -2.4877 -2.4877 -1.9473 -1.9473 -1.9051 -1.9051 6.3413 6.3413 8.4468 8.4468 11.8466 11.8466 17.5646 17.5646 k = 0.4118 0.1500 0.0943 ( 3029 PWs) bands (ev): -48.1688 -48.1688 -21.8818 -21.8818 -21.2962 -21.2962 -20.1672 -20.1672 -20.0171 -20.0171 -19.9279 -19.9279 -5.7131 -5.7131 -3.0900 -3.0900 -2.5219 -2.5219 -2.4844 -2.4844 -1.9509 -1.9509 -1.9088 -1.9088 6.2794 6.2794 8.5208 8.5208 11.8610 11.8610 17.4640 17.4640 k = 0.3971 0.1446 0.0909 ( 3029 PWs) bands (ev): -48.1688 -48.1688 -21.8830 -21.8830 -21.2964 -21.2964 -20.1668 -20.1668 -20.0171 -20.0171 -19.9260 -19.9260 -5.7337 -5.7337 -3.0613 -3.0613 -2.5180 -2.5180 -2.4805 -2.4805 -1.9552 -1.9552 -1.9131 -1.9131 6.2116 6.2116 8.6030 8.6030 11.8776 11.8776 17.3488 17.3488 k = 0.3824 0.1393 0.0875 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.8843 -21.8843 -21.2966 -21.2966 -20.1663 -20.1663 -20.0170 -20.0170 -19.9238 -19.9238 -5.7565 -5.7565 -3.0293 -3.0293 -2.5135 -2.5135 -2.4760 -2.4760 -1.9600 -1.9600 -1.9180 -1.9180 6.1395 6.1395 8.6919 8.6919 11.8965 11.8965 17.2209 17.2209 k = 0.3676 0.1339 0.0842 ( 3011 PWs) bands (ev): -48.1688 -48.1688 -21.8857 -21.8857 -21.2968 -21.2968 -20.1658 -20.1658 -20.0170 -20.0170 -19.9213 -19.9213 -5.7812 -5.7812 -2.9943 -2.9943 -2.5084 -2.5084 -2.4710 -2.4710 -1.9655 -1.9655 -1.9235 -1.9235 6.0643 6.0643 8.7866 8.7866 11.9174 11.9174 17.0821 17.0821 k = 0.3529 0.1286 0.0808 ( 3011 PWs) bands (ev): -48.1688 -48.1688 -21.8873 -21.8873 -21.2971 -21.2971 -20.1653 -20.1653 -20.0170 -20.0170 -19.9187 -19.9187 -5.8075 -5.8075 -2.9569 -2.9569 -2.5028 -2.5028 -2.4654 -2.4654 -1.9716 -1.9716 -1.9297 -1.9297 5.9869 5.9869 8.8860 8.8860 11.9401 11.9401 16.9341 16.9341 k = 0.3382 0.1232 0.0774 ( 3005 PWs) bands (ev): -48.1688 -48.1688 -21.8890 -21.8890 -21.2973 -21.2973 -20.1648 -20.1648 -20.0170 -20.0170 -19.9158 -19.9158 -5.8351 -5.8351 -2.9172 -2.9172 -2.4966 -2.4966 -2.4592 -2.4592 -1.9783 -1.9783 -1.9364 -1.9364 5.9083 5.9083 8.9894 8.9894 11.9645 11.9645 16.7787 16.7787 k = 0.3235 0.1179 0.0741 ( 3014 PWs) bands (ev): -48.1688 -48.1688 -21.8908 -21.8908 -21.2976 -21.2976 -20.1643 -20.1643 -20.0170 -20.0170 -19.9130 -19.9130 -5.8636 -5.8636 -2.8759 -2.8759 -2.4898 -2.4898 -2.4526 -2.4526 -1.9856 -1.9856 -1.9438 -1.9438 5.8292 5.8292 9.0962 9.0962 11.9902 11.9902 16.6173 16.6173 k = 0.3088 0.1125 0.0707 ( 3014 PWs) bands (ev): -48.1688 -48.1688 -21.8927 -21.8927 -21.2979 -21.2979 -20.1638 -20.1638 -20.0170 -20.0170 -19.9099 -19.9099 -5.8927 -5.8927 -2.8332 -2.8332 -2.4825 -2.4825 -2.4453 -2.4453 -1.9934 -1.9934 -1.9517 -1.9517 5.7503 5.7503 9.2058 9.2058 12.0172 12.0172 16.4514 16.4514 k = 0.2941 0.1071 0.0673 ( 3008 PWs) bands (ev): -48.1688 -48.1688 -21.8946 -21.8946 -21.2982 -21.2982 -20.1632 -20.1632 -20.0170 -20.0170 -19.9066 -19.9066 -5.9221 -5.9221 -2.7896 -2.7896 -2.4746 -2.4746 -2.4376 -2.4376 -2.0017 -2.0017 -1.9601 -1.9601 5.6720 5.6720 9.3179 9.3179 12.0451 12.0451 16.2822 16.2822 k = 0.2794 0.1018 0.0640 ( 3020 PWs) bands (ev): -48.1688 -48.1688 -21.8966 -21.8966 -21.2985 -21.2985 -20.1627 -20.1627 -20.0170 -20.0170 -19.9034 -19.9034 -5.9517 -5.9517 -2.7454 -2.7454 -2.4662 -2.4662 -2.4294 -2.4294 -2.0106 -2.0106 -1.9690 -1.9690 5.5948 5.5948 9.4321 9.4321 12.0737 12.0737 16.1107 16.1107 k = 0.2647 0.0964 0.0606 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.8987 -21.8987 -21.2987 -21.2987 -20.1622 -20.1622 -20.0170 -20.0170 -19.8999 -19.8999 -5.9810 -5.9810 -2.7010 -2.7010 -2.4573 -2.4573 -2.4207 -2.4207 -2.0199 -2.0199 -1.9785 -1.9785 5.5191 5.5191 9.5481 9.5481 12.1026 12.1026 15.9380 15.9380 k = 0.2500 0.0911 0.0572 ( 3020 PWs) bands (ev): -48.1688 -48.1688 -21.9007 -21.9007 -21.2990 -21.2990 -20.1617 -20.1617 -20.0170 -20.0170 -19.8965 -19.8965 -6.0099 -6.0099 -2.6569 -2.6569 -2.4478 -2.4478 -2.4115 -2.4115 -2.0297 -2.0297 -1.9884 -1.9884 5.4454 5.4454 9.6656 9.6656 12.1316 12.1316 15.7649 15.7649 k = 0.2353 0.0857 0.0539 ( 3029 PWs) bands (ev): -48.1688 -48.1688 -21.9027 -21.9027 -21.2993 -21.2993 -20.1612 -20.1612 -20.0171 -20.0171 -19.8931 -19.8931 -6.0382 -6.0382 -2.6133 -2.6133 -2.4377 -2.4377 -2.4019 -2.4019 -2.0400 -2.0400 -1.9987 -1.9987 5.3740 5.3740 9.7843 9.7843 12.1604 12.1604 15.5923 15.5923 k = 0.2206 0.0804 0.0505 ( 3029 PWs) bands (ev): -48.1688 -48.1688 -21.9047 -21.9047 -21.2996 -21.2996 -20.1607 -20.1607 -20.0171 -20.0171 -19.8897 -19.8897 -6.0656 -6.0656 -2.5707 -2.5707 -2.4270 -2.4270 -2.3919 -2.3919 -2.0506 -2.0506 -2.0095 -2.0095 5.3052 5.3052 9.9040 9.9040 12.1885 12.1885 15.4208 15.4208 k = 0.2059 0.0750 0.0471 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.9067 -21.9067 -21.2999 -21.2999 -20.1602 -20.1602 -20.0170 -20.0170 -19.8863 -19.8863 -6.0921 -6.0921 -2.5295 -2.5295 -2.4155 -2.4155 -2.3814 -2.3814 -2.0616 -2.0616 -2.0207 -2.0207 5.2392 5.2392 10.0243 10.0243 12.2158 12.2158 15.2513 15.2513 k = 0.1912 0.0696 0.0438 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.9086 -21.9086 -21.3001 -21.3001 -20.1598 -20.1598 -20.0170 -20.0170 -19.8830 -19.8830 -6.1173 -6.1173 -2.4904 -2.4904 -2.4031 -2.4031 -2.3705 -2.3705 -2.0730 -2.0730 -2.0322 -2.0322 5.1765 5.1765 10.1450 10.1450 12.2417 12.2417 15.0845 15.0845 k = 0.1765 0.0643 0.0404 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9104 -21.9104 -21.3004 -21.3004 -20.1593 -20.1593 -20.0170 -20.0170 -19.8798 -19.8798 -6.1413 -6.1413 -2.4542 -2.4542 -2.3890 -2.3890 -2.3593 -2.3593 -2.0847 -2.0847 -2.0441 -2.0441 5.1172 5.1172 10.2657 10.2657 12.2659 12.2659 14.9213 14.9213 k = 0.1618 0.0589 0.0370 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9122 -21.9122 -21.3006 -21.3006 -20.1589 -20.1589 -20.0170 -20.0170 -19.8768 -19.8768 -6.1638 -6.1638 -2.4225 -2.4225 -2.3722 -2.3722 -2.3477 -2.3477 -2.0966 -2.0966 -2.0563 -2.0563 5.0616 5.0616 10.3858 10.3858 12.2880 12.2880 14.7624 14.7624 k = 0.1471 0.0536 0.0337 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.9138 -21.9138 -21.3008 -21.3008 -20.1586 -20.1586 -20.0170 -20.0170 -19.8739 -19.8739 -6.1848 -6.1848 -2.3969 -2.3969 -2.3513 -2.3513 -2.3358 -2.3358 -2.1088 -2.1088 -2.0689 -2.0689 5.0099 5.0099 10.5048 10.5048 12.3075 12.3075 14.6088 14.6088 k = 0.1324 0.0482 0.0303 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.9154 -21.9154 -21.3010 -21.3010 -20.1583 -20.1583 -20.0170 -20.0170 -19.8712 -19.8712 -6.2040 -6.2040 -2.3771 -2.3771 -2.3268 -2.3268 -2.3236 -2.3236 -2.1212 -2.1212 -2.0816 -2.0816 4.9624 4.9624 10.6219 10.6219 12.3241 12.3241 14.4618 14.4618 k = 0.1176 0.0429 0.0269 ( 3011 PWs) bands (ev): -48.1688 -48.1688 -21.9168 -21.9168 -21.3012 -21.3012 -20.1579 -20.1579 -20.0170 -20.0170 -19.8687 -19.8687 -6.2215 -6.2215 -2.3608 -2.3608 -2.3112 -2.3112 -2.3013 -2.3013 -2.1336 -2.1336 -2.0946 -2.0946 4.9193 4.9193 10.7364 10.7364 12.3373 12.3373 14.3225 14.3225 k = 0.1029 0.0375 0.0236 ( 3011 PWs) bands (ev): -48.1688 -48.1688 -21.9180 -21.9180 -21.3014 -21.3014 -20.1577 -20.1577 -20.0170 -20.0170 -19.8665 -19.8665 -6.2371 -6.2371 -2.3460 -2.3460 -2.2984 -2.2984 -2.2774 -2.2774 -2.1460 -2.1460 -2.1078 -2.1078 4.8808 4.8808 10.8468 10.8468 12.3467 12.3467 14.1925 14.1925 k = 0.0882 0.0321 0.0202 ( 3014 PWs) bands (ev): -48.1688 -48.1688 -21.9192 -21.9192 -21.3015 -21.3015 -20.1574 -20.1574 -20.0169 -20.0169 -19.8646 -19.8646 -6.2508 -6.2508 -2.3319 -2.3319 -2.2855 -2.2855 -2.2563 -2.2563 -2.1580 -2.1580 -2.1211 -2.1211 4.8470 4.8470 10.9517 10.9517 12.3521 12.3521 14.0736 14.0736 k = 0.0735 0.0268 0.0168 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9201 -21.9201 -21.3017 -21.3017 -20.1572 -20.1572 -20.0169 -20.0169 -19.8629 -19.8629 -6.2625 -6.2625 -2.3181 -2.3181 -2.2724 -2.2724 -2.2389 -2.2389 -2.1691 -2.1691 -2.1346 -2.1346 4.8181 4.8181 11.0490 11.0490 12.3535 12.3535 13.9678 13.9678 k = 0.0588 0.0214 0.0135 ( 3029 PWs) bands (ev): -48.1688 -48.1688 -21.9209 -21.9209 -21.3018 -21.3018 -20.1571 -20.1571 -20.0170 -20.0170 -19.8616 -19.8616 -6.2722 -6.2722 -2.3045 -2.3045 -2.2591 -2.2591 -2.2272 -2.2272 -2.1780 -2.1780 -2.1482 -2.1482 4.7943 4.7943 11.1361 11.1361 12.3513 12.3513 13.8771 13.8771 k = 0.0441 0.0161 0.0101 ( 3020 PWs) bands (ev): -48.1688 -48.1688 -21.9216 -21.9216 -21.3019 -21.3019 -20.1570 -20.1570 -20.0170 -20.0170 -19.8604 -19.8604 -6.2797 -6.2797 -2.2909 -2.2909 -2.2458 -2.2458 -2.2239 -2.2239 -2.1817 -2.1817 -2.1617 -2.1617 4.7757 4.7757 11.2098 11.2098 12.3465 12.3465 13.8038 13.8038 k = 0.0294 0.0107 0.0067 ( 3020 PWs) bands (ev): -48.1688 -48.1688 -21.9220 -21.9220 -21.3019 -21.3019 -20.1569 -20.1569 -20.0170 -20.0170 -19.8596 -19.8596 -6.2851 -6.2851 -2.2775 -2.2775 -2.2326 -2.2326 -2.2294 -2.2294 -2.1803 -2.1803 -2.1751 -2.1751 4.7623 4.7623 11.2664 11.2664 12.3407 12.3407 13.7498 13.7498 k = 0.0147 0.0054 0.0034 ( 3023 PWs) bands (ev): -48.1688 -48.1688 -21.9223 -21.9223 -21.3020 -21.3020 -20.1569 -20.1569 -20.0170 -20.0170 -19.8591 -19.8591 -6.2883 -6.2883 -2.2643 -2.2643 -2.2395 -2.2395 -2.2199 -2.2199 -2.1880 -2.1880 -2.1777 -2.1777 4.7542 4.7542 11.3024 11.3024 12.3360 12.3360 13.7167 13.7167 k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9224 -21.9224 -21.3019 -21.3019 -20.1568 -20.1568 -20.0170 -20.0170 -19.8589 -19.8589 -6.2894 -6.2894 -2.2520 -2.2520 -2.2510 -2.2510 -2.2119 -2.2119 -2.1959 -2.1959 -2.1766 -2.1766 4.7515 4.7515 11.3147 11.3147 12.3342 12.3342 13.7055 13.7055 k = 0.0000 0.0000 0.0000 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9224 -21.9224 -21.3019 -21.3019 -20.1568 -20.1568 -20.0170 -20.0170 -19.8589 -19.8589 -6.2894 -6.2894 -2.2520 -2.2520 -2.2510 -2.2510 -2.2119 -2.2119 -2.1959 -2.1959 -2.1766 -2.1766 4.7515 4.7515 11.3147 11.3147 12.3342 12.3342 13.7055 13.7055 k = 0.0054-0.0065-0.0135 ( 3013 PWs) bands (ev): -48.1688 -48.1688 -21.9224 -21.9224 -21.3018 -21.3018 -20.1568 -20.1568 -20.0169 -20.0169 -19.8590 -19.8590 -6.2891 -6.2891 -2.2562 -2.2562 -2.2489 -2.2489 -2.2131 -2.2131 -2.1964 -2.1964 -2.1746 -2.1746 4.7538 4.7538 11.3164 11.3164 12.3347 12.3347 13.7039 13.7039 k = 0.0109-0.0130-0.0270 ( 3013 PWs) bands (ev): -48.1688 -48.1688 -21.9227 -21.9227 -21.3014 -21.3014 -20.1566 -20.1566 -20.0167 -20.0167 -19.8595 -19.8595 -6.2883 -6.2883 -2.2628 -2.2628 -2.2484 -2.2484 -2.2158 -2.2158 -2.1978 -2.1978 -2.1695 -2.1695 4.7605 4.7605 11.3216 11.3216 12.3361 12.3361 13.6989 13.6989 k = 0.0163-0.0195-0.0404 ( 3017 PWs) bands (ev): -48.1688 -48.1688 -21.9230 -21.9230 -21.3006 -21.3006 -20.1564 -20.1564 -20.0165 -20.0165 -19.8602 -19.8602 -6.2869 -6.2869 -2.2715 -2.2715 -2.2501 -2.2501 -2.2188 -2.2188 -2.2001 -2.2001 -2.1627 -2.1627 4.7716 4.7716 11.3301 11.3301 12.3383 12.3383 13.6907 13.6907 k = 0.0218-0.0259-0.0539 ( 3015 PWs) bands (ev): -48.1688 -48.1688 -21.9235 -21.9235 -21.2996 -21.2996 -20.1561 -20.1561 -20.0160 -20.0160 -19.8612 -19.8612 -6.2849 -6.2849 -2.2817 -2.2817 -2.2542 -2.2542 -2.2214 -2.2214 -2.2029 -2.2029 -2.1551 -2.1551 4.7871 4.7871 11.3421 11.3421 12.3415 12.3415 13.6792 13.6792 k = 0.0272-0.0324-0.0674 ( 3019 PWs) bands (ev): -48.1687 -48.1687 -21.9242 -21.9242 -21.2983 -21.2983 -20.1557 -20.1557 -20.0155 -20.0155 -19.8625 -19.8625 -6.2824 -6.2824 -2.2934 -2.2934 -2.2608 -2.2608 -2.2234 -2.2234 -2.2060 -2.2060 -2.1473 -2.1473 4.8070 4.8070 11.3575 11.3575 12.3455 12.3455 13.6645 13.6645 k = 0.0327-0.0389-0.0809 ( 3027 PWs) bands (ev): -48.1687 -48.1687 -21.9250 -21.9250 -21.2967 -21.2967 -20.1553 -20.1553 -20.0149 -20.0149 -19.8641 -19.8641 -6.2793 -6.2793 -2.3061 -2.3061 -2.2699 -2.2699 -2.2250 -2.2250 -2.2093 -2.2093 -2.1396 -2.1396 4.8312 4.8312 11.3762 11.3762 12.3503 12.3503 13.6467 13.6467 k = 0.0381-0.0454-0.0944 ( 3029 PWs) bands (ev): -48.1686 -48.1686 -21.9259 -21.9259 -21.2949 -21.2949 -20.1548 -20.1548 -20.0142 -20.0142 -19.8660 -19.8660 -6.2758 -6.2758 -2.3196 -2.3196 -2.2814 -2.2814 -2.2263 -2.2263 -2.2125 -2.2125 -2.1321 -2.1321 4.8596 4.8596 11.3982 11.3982 12.3559 12.3559 13.6259 13.6259 k = 0.0436-0.0519-0.1078 ( 3029 PWs) bands (ev): -48.1686 -48.1686 -21.9269 -21.9269 -21.2928 -21.2928 -20.1542 -20.1542 -20.0133 -20.0133 -19.8681 -19.8681 -6.2716 -6.2716 -2.3340 -2.3340 -2.2950 -2.2950 -2.2275 -2.2275 -2.2157 -2.2157 -2.1248 -2.1248 4.8922 4.8922 11.4235 11.4235 12.3623 12.3623 13.6022 13.6022 k = 0.0490-0.0584-0.1213 ( 3025 PWs) bands (ev): -48.1685 -48.1685 -21.9280 -21.9280 -21.2904 -21.2904 -20.1536 -20.1536 -20.0122 -20.0122 -19.8704 -19.8704 -6.2670 -6.2670 -2.3489 -2.3489 -2.3106 -2.3106 -2.2288 -2.2288 -2.2187 -2.2187 -2.1180 -2.1180 4.9288 4.9288 11.4520 11.4520 12.3693 12.3693 13.5758 13.5758 k = 0.0545-0.0649-0.1348 ( 3019 PWs) bands (ev): -48.1684 -48.1684 -21.9292 -21.9292 -21.2878 -21.2878 -20.1529 -20.1529 -20.0111 -20.0111 -19.8729 -19.8729 -6.2619 -6.2619 -2.3645 -2.3645 -2.3279 -2.3279 -2.2301 -2.2301 -2.2217 -2.2217 -2.1116 -2.1116 4.9693 4.9693 11.4837 11.4837 12.3769 12.3769 13.5468 13.5468 k = 0.0599-0.0714-0.1483 ( 3019 PWs) bands (ev): -48.1683 -48.1683 -21.9306 -21.9306 -21.2849 -21.2849 -20.1523 -20.1523 -20.0099 -20.0099 -19.8757 -19.8757 -6.2562 -6.2562 -2.3807 -2.3807 -2.3467 -2.3467 -2.2317 -2.2317 -2.2247 -2.2247 -2.1057 -2.1057 5.0136 5.0136 11.5185 11.5185 12.3849 12.3849 13.5155 13.5155 k = 0.0654-0.0778-0.1618 ( 3019 PWs) bands (ev): -48.1682 -48.1682 -21.9320 -21.9320 -21.2819 -21.2819 -20.1517 -20.1517 -20.0085 -20.0085 -19.8786 -19.8786 -6.2501 -6.2501 -2.3976 -2.3976 -2.3666 -2.3666 -2.2336 -2.2336 -2.2275 -2.2275 -2.1002 -2.1002 5.0617 5.0617 11.5562 11.5562 12.3933 12.3933 13.4820 13.4820 k = 0.0708-0.0843-0.1752 ( 3017 PWs) bands (ev): -48.1681 -48.1681 -21.9335 -21.9335 -21.2786 -21.2786 -20.1511 -20.1511 -20.0071 -20.0071 -19.8817 -19.8817 -6.2435 -6.2435 -2.4154 -2.4154 -2.3872 -2.3872 -2.2360 -2.2360 -2.2301 -2.2301 -2.0953 -2.0953 5.1133 5.1133 11.5969 11.5969 12.4018 12.4018 13.4468 13.4468 k = 0.0763-0.0908-0.1887 ( 3011 PWs) bands (ev): -48.1680 -48.1680 -21.9350 -21.9350 -21.2752 -21.2752 -20.1505 -20.1505 -20.0055 -20.0055 -19.8849 -19.8849 -6.2365 -6.2365 -2.4345 -2.4345 -2.4081 -2.4081 -2.2389 -2.2389 -2.2323 -2.2323 -2.0908 -2.0908 5.1684 5.1684 11.6404 11.6404 12.4102 12.4102 13.4102 13.4102 k = 0.0817-0.0973-0.2022 ( 3013 PWs) bands (ev): -48.1679 -48.1679 -21.9366 -21.9366 -21.2716 -21.2716 -20.1500 -20.1500 -20.0039 -20.0039 -19.8882 -19.8882 -6.2290 -6.2290 -2.4553 -2.4553 -2.4284 -2.4284 -2.2424 -2.2424 -2.2345 -2.2345 -2.0868 -2.0868 5.2268 5.2268 11.6867 11.6867 12.4183 12.4183 13.3727 13.3727 k = 0.0872-0.1038-0.2157 ( 3011 PWs) bands (ev): -48.1678 -48.1678 -21.9382 -21.9382 -21.2679 -21.2679 -20.1496 -20.1496 -20.0021 -20.0021 -19.8917 -19.8917 -6.2212 -6.2212 -2.4780 -2.4780 -2.4479 -2.4479 -2.2461 -2.2461 -2.2366 -2.2366 -2.0834 -2.0834 5.2884 5.2884 11.7355 11.7355 12.4256 12.4256 13.3347 13.3347 k = 0.0926-0.1103-0.2292 ( 3009 PWs) bands (ev): -48.1676 -48.1676 -21.9398 -21.9398 -21.2640 -21.2640 -20.1492 -20.1492 -20.0004 -20.0004 -19.8951 -19.8951 -6.2129 -6.2129 -2.5025 -2.5025 -2.4665 -2.4665 -2.2502 -2.2502 -2.2388 -2.2388 -2.0804 -2.0804 5.3531 5.3531 11.7869 11.7869 12.4317 12.4317 13.2969 13.2969 k = 0.0981-0.1168-0.2426 ( 3007 PWs) bands (ev): -48.1675 -48.1675 -21.9415 -21.9415 -21.2600 -21.2600 -20.1490 -20.1490 -19.9985 -19.9985 -19.8986 -19.8986 -6.2043 -6.2043 -2.5283 -2.5283 -2.4845 -2.4845 -2.2545 -2.2545 -2.2411 -2.2411 -2.0779 -2.0779 5.4207 5.4207 11.8405 11.8405 12.4361 12.4361 13.2601 13.2601 k = 0.1035-0.1233-0.2561 ( 3009 PWs) bands (ev): -48.1674 -48.1674 -21.9431 -21.9431 -21.2560 -21.2560 -20.1488 -20.1488 -19.9967 -19.9967 -19.9021 -19.9021 -6.1953 -6.1953 -2.5550 -2.5550 -2.5021 -2.5021 -2.2590 -2.2590 -2.2435 -2.2435 -2.0758 -2.0758 5.4912 5.4912 11.8964 11.8964 12.4380 12.4380 13.2251 13.2251 k = 0.1090-0.1297-0.2696 ( 3003 PWs) bands (ev): -48.1672 -48.1672 -21.9447 -21.9447 -21.2519 -21.2519 -20.1488 -20.1488 -19.9948 -19.9948 -19.9054 -19.9054 -6.1860 -6.1860 -2.5824 -2.5824 -2.5193 -2.5193 -2.2637 -2.2637 -2.2461 -2.2461 -2.0742 -2.0742 5.5643 5.5643 11.9542 11.9542 12.4366 12.4366 13.1929 13.1929 k = 0.1144-0.1362-0.2831 ( 3007 PWs) bands (ev): -48.1671 -48.1671 -21.9463 -21.9463 -21.2477 -21.2477 -20.1489 -20.1489 -19.9930 -19.9930 -19.9088 -19.9088 -6.1764 -6.1764 -2.6102 -2.6102 -2.5363 -2.5363 -2.2686 -2.2686 -2.2490 -2.2490 -2.0731 -2.0731 5.6399 5.6399 12.0138 12.0138 12.4311 12.4311 13.1647 13.1647 k = 0.1199-0.1427-0.2966 ( 3011 PWs) bands (ev): -48.1669 -48.1669 -21.9478 -21.9478 -21.2436 -21.2436 -20.1491 -20.1491 -19.9913 -19.9913 -19.9119 -19.9119 -6.1665 -6.1665 -2.6383 -2.6383 -2.5532 -2.5532 -2.2737 -2.2737 -2.2519 -2.2519 -2.0725 -2.0725 5.7180 5.7180 12.0749 12.0749 12.4206 12.4206 13.1413 13.1413 k = 0.1253-0.1492-0.3100 ( 3007 PWs) bands (ev): -48.1668 -48.1668 -21.9492 -21.9492 -21.2395 -21.2395 -20.1494 -20.1494 -19.9895 -19.9895 -19.9149 -19.9149 -6.1564 -6.1564 -2.6663 -2.6663 -2.5698 -2.5698 -2.2790 -2.2790 -2.2551 -2.2551 -2.0722 -2.0722 5.7985 5.7985 12.1372 12.1372 12.4044 12.4044 13.1238 13.1238 k = 0.1308-0.1557-0.3235 ( 3009 PWs) bands (ev): -48.1667 -48.1667 -21.9506 -21.9506 -21.2354 -21.2354 -20.1499 -20.1499 -19.9880 -19.9880 -19.9176 -19.9176 -6.1460 -6.1460 -2.6944 -2.6944 -2.5862 -2.5862 -2.2844 -2.2844 -2.2585 -2.2585 -2.0723 -2.0723 5.8811 5.8811 12.2002 12.2002 12.3820 12.3820 13.1128 13.1128 k = 0.1362-0.1622-0.3370 ( 3017 PWs) bands (ev): -48.1665 -48.1665 -21.9519 -21.9519 -21.2315 -21.2315 -20.1505 -20.1505 -19.9867 -19.9867 -19.9201 -19.9201 -6.1354 -6.1354 -2.7222 -2.7222 -2.6024 -2.6024 -2.2900 -2.2900 -2.2622 -2.2622 -2.0729 -2.0729 5.9657 5.9657 12.2635 12.2635 12.3534 12.3534 13.1086 13.1086 k = 0.1417-0.1687-0.3505 ( 3021 PWs) bands (ev): -48.1664 -48.1664 -21.9531 -21.9531 -21.2276 -21.2276 -20.1513 -20.1513 -19.9855 -19.9855 -19.9222 -19.9222 -6.1246 -6.1246 -2.7497 -2.7497 -2.6184 -2.6184 -2.2958 -2.2958 -2.2661 -2.2661 -2.0738 -2.0738 6.0524 6.0524 12.3175 12.3175 12.3275 12.3275 13.1111 13.1111 k = 0.1471-0.1752-0.3640 ( 3017 PWs) bands (ev): -48.1662 -48.1662 -21.9542 -21.9542 -21.2239 -21.2239 -20.1521 -20.1521 -19.9845 -19.9845 -19.9239 -19.9239 -6.1137 -6.1137 -2.7768 -2.7768 -2.6341 -2.6341 -2.3016 -2.3016 -2.2702 -2.2702 -2.0750 -2.0750 6.1409 6.1409 12.2783 12.2783 12.3881 12.3881 13.1198 13.1198 k = 0.1526-0.1816-0.3774 ( 3019 PWs) bands (ev): -48.1661 -48.1661 -21.9551 -21.9551 -21.2203 -21.2203 -20.1531 -20.1531 -19.9838 -19.9838 -19.9252 -19.9252 -6.1027 -6.1027 -2.8033 -2.8033 -2.6495 -2.6495 -2.3076 -2.3076 -2.2746 -2.2746 -2.0766 -2.0766 6.2311 6.2311 12.2333 12.2333 12.4468 12.4468 13.1343 13.1343 k = 0.1580-0.1881-0.3909 ( 3019 PWs) bands (ev): -48.1659 -48.1659 -21.9559 -21.9559 -21.2170 -21.2170 -20.1541 -20.1541 -19.9833 -19.9833 -19.9261 -19.9261 -6.0915 -6.0915 -2.8293 -2.8293 -2.6647 -2.6647 -2.3137 -2.3137 -2.2792 -2.2792 -2.0785 -2.0785 6.3231 6.3231 12.1843 12.1843 12.5009 12.5009 13.1540 13.1540 k = 0.1635-0.1946-0.4044 ( 3017 PWs) bands (ev): -48.1658 -48.1658 -21.9565 -21.9565 -21.2139 -21.2139 -20.1553 -20.1553 -19.9831 -19.9831 -19.9266 -19.9266 -6.0802 -6.0802 -2.8545 -2.8545 -2.6796 -2.6796 -2.3199 -2.3199 -2.2841 -2.2841 -2.0806 -2.0806 6.4165 6.4165 12.1320 12.1320 12.5474 12.5474 13.1783 13.1783 k = 0.1689-0.2011-0.4179 ( 3021 PWs) bands (ev): -48.1656 -48.1656 -21.9570 -21.9570 -21.2110 -21.2110 -20.1565 -20.1565 -19.9831 -19.9831 -19.9268 -19.9268 -6.0689 -6.0689 -2.8789 -2.8789 -2.6942 -2.6942 -2.3261 -2.3261 -2.2893 -2.2893 -2.0831 -2.0831 6.5115 6.5115 12.0771 12.0771 12.5821 12.5821 13.2066 13.2066 k = 0.1744-0.2076-0.4314 ( 3021 PWs) bands (ev): -48.1655 -48.1655 -21.9572 -21.9572 -21.2085 -21.2085 -20.1577 -20.1577 -19.9833 -19.9833 -19.9266 -19.9266 -6.0576 -6.0576 -2.9024 -2.9024 -2.7085 -2.7085 -2.3324 -2.3324 -2.2947 -2.2947 -2.0857 -2.0857 6.6078 6.6078 12.0200 12.0200 12.5999 12.5999 13.2385 13.2385 k = 0.1798-0.2141-0.4448 ( 3019 PWs) bands (ev): -48.1653 -48.1653 -21.9573 -21.9573 -21.2063 -21.2063 -20.1590 -20.1590 -19.9836 -19.9836 -19.9261 -19.9261 -6.0462 -6.0462 -2.9250 -2.9250 -2.7224 -2.7224 -2.3388 -2.3388 -2.3004 -2.3004 -2.0886 -2.0886 6.7054 6.7054 11.9614 11.9614 12.5958 12.5958 13.2736 13.2736 k = 0.1853-0.2206-0.4583 ( 3019 PWs) bands (ev): -48.1652 -48.1652 -21.9572 -21.9572 -21.2044 -21.2044 -20.1603 -20.1603 -19.9839 -19.9839 -19.9254 -19.9254 -6.0349 -6.0349 -2.9466 -2.9466 -2.7360 -2.7360 -2.3451 -2.3451 -2.3063 -2.3063 -2.0917 -2.0917 6.8042 6.8042 11.9015 11.9015 12.5675 12.5675 13.3117 13.3117 k = 0.1907-0.2271-0.4718 ( 3019 PWs) bands (ev): -48.1650 -48.1650 -21.9569 -21.9569 -21.2029 -21.2029 -20.1616 -20.1616 -19.9843 -19.9843 -19.9246 -19.9246 -6.0236 -6.0236 -2.9671 -2.9671 -2.7493 -2.7493 -2.3515 -2.3515 -2.3126 -2.3126 -2.0950 -2.0950 6.9041 6.9041 11.8408 11.8408 12.5176 12.5176 13.3524 13.3524 k = 0.1962-0.2335-0.4853 ( 3013 PWs) bands (ev): -48.1649 -48.1649 -21.9564 -21.9564 -21.2018 -21.2018 -20.1628 -20.1628 -19.9847 -19.9847 -19.9236 -19.9236 -6.0123 -6.0123 -2.9865 -2.9865 -2.7623 -2.7623 -2.3579 -2.3579 -2.3191 -2.3191 -2.0983 -2.0983 7.0050 7.0050 11.7794 11.7794 12.4514 12.4514 13.3953 13.3954 k = 0.2016-0.2400-0.4988 ( 3013 PWs) bands (ev): -48.1647 -48.1647 -21.9557 -21.9557 -21.2011 -21.2011 -20.1640 -20.1640 -19.9850 -19.9850 -19.9226 -19.9226 -6.0011 -6.0011 -3.0047 -3.0047 -2.7750 -2.7750 -2.3642 -2.3642 -2.3258 -2.3258 -2.1019 -2.1019 7.1068 7.1068 11.7177 11.7177 12.3744 12.3744 13.4405 13.4406 k = 0.2071-0.2465-0.5122 ( 3009 PWs) bands (ev): -48.1646 -48.1646 -21.9547 -21.9547 -21.2008 -21.2008 -20.1652 -20.1652 -19.9853 -19.9853 -19.9215 -19.9215 -5.9901 -5.9901 -3.0218 -3.0218 -2.7874 -2.7874 -2.3704 -2.3704 -2.3328 -2.3328 -2.1055 -2.1055 7.2095 7.2095 11.6559 11.6559 12.2909 12.2909 13.4880 13.4880 k = 0.2125-0.2530-0.5257 ( 3003 PWs) bands (ev): -48.1645 -48.1645 -21.9535 -21.9535 -21.2010 -21.2010 -20.1662 -20.1662 -19.9854 -19.9854 -19.9204 -19.9204 -5.9792 -5.9792 -3.0375 -3.0375 -2.7994 -2.7994 -2.3765 -2.3765 -2.3401 -2.3401 -2.1092 -2.1092 7.3130 7.3130 11.5940 11.5940 12.2037 12.2037 13.5374 13.5374 k = 0.2180-0.2595-0.5392 ( 3005 PWs) bands (ev): -48.1644 -48.1644 -21.9521 -21.9521 -21.2017 -21.2017 -20.1672 -20.1672 -19.9854 -19.9854 -19.9194 -19.9194 -5.9684 -5.9684 -3.0521 -3.0521 -2.8112 -2.8112 -2.3825 -2.3825 -2.3476 -2.3476 -2.1129 -2.1129 7.4172 7.4172 11.5324 11.5324 12.1148 12.1148 13.5882 13.5882 k = 0.2234-0.2660-0.5527 ( 3005 PWs) bands (ev): -48.1642 -48.1642 -21.9504 -21.9504 -21.2029 -21.2029 -20.1681 -20.1681 -19.9852 -19.9852 -19.9184 -19.9184 -5.9578 -5.9578 -3.0653 -3.0653 -2.8227 -2.8227 -2.3884 -2.3884 -2.3554 -2.3554 -2.1167 -2.1167 7.5220 7.5220 11.4710 11.4710 12.0253 12.0253 13.6403 13.6403 k = 0.2289-0.2725-0.5662 ( 3003 PWs) bands (ev): -48.1641 -48.1641 -21.9485 -21.9485 -21.2045 -21.2045 -20.1688 -20.1688 -19.9849 -19.9849 -19.9175 -19.9175 -5.9473 -5.9473 -3.0772 -3.0772 -2.8339 -2.8339 -2.3941 -2.3941 -2.3634 -2.3634 -2.1205 -2.1205 7.6273 7.6273 11.4101 11.4101 11.9362 11.9362 13.6931 13.6931 k = 0.2343-0.2790-0.5796 ( 3005 PWs) bands (ev): -48.1640 -48.1640 -21.9463 -21.9463 -21.2067 -21.2067 -20.1695 -20.1695 -19.9845 -19.9845 -19.9166 -19.9166 -5.9371 -5.9371 -3.0878 -3.0878 -2.8449 -2.8449 -2.3997 -2.3997 -2.3716 -2.3716 -2.1242 -2.1242 7.7330 7.7330 11.3497 11.3497 11.8480 11.8480 13.7460 13.7460 k = 0.2398-0.2854-0.5931 ( 3001 PWs) bands (ev): -48.1639 -48.1639 -21.9439 -21.9439 -21.2093 -21.2093 -20.1700 -20.1700 -19.9839 -19.9839 -19.9158 -19.9158 -5.9271 -5.9271 -3.0970 -3.0970 -2.8556 -2.8556 -2.4050 -2.4050 -2.3800 -2.3800 -2.1279 -2.1279 7.8391 7.8391 11.2899 11.2899 11.7609 11.7609 13.7974 13.7974 k = 0.2452-0.2919-0.6066 ( 2997 PWs) bands (ev): -48.1638 -48.1638 -21.9412 -21.9412 -21.2124 -21.2124 -20.1704 -20.1704 -19.9831 -19.9831 -19.9151 -19.9151 -5.9173 -5.9173 -3.1048 -3.1048 -2.8662 -2.8662 -2.4102 -2.4102 -2.3886 -2.3886 -2.1315 -2.1315 7.9454 7.9454 11.2309 11.2309 11.6754 11.6754 13.8390 13.8390 k = 0.2507-0.2984-0.6201 ( 2989 PWs) bands (ev): -48.1637 -48.1637 -21.9383 -21.9383 -21.2160 -21.2160 -20.1706 -20.1706 -19.9822 -19.9822 -19.9144 -19.9144 -5.9078 -5.9078 -3.1113 -3.1113 -2.8766 -2.8766 -2.4152 -2.4152 -2.3973 -2.3973 -2.1350 -2.1350 8.0519 8.0519 11.1727 11.1727 11.5915 11.5915 13.8702 13.8702 k = 0.2561-0.3049-0.6336 ( 2992 PWs) bands (ev): -48.1636 -48.1636 -21.9352 -21.9352 -21.2201 -21.2201 -20.1708 -20.1708 -19.9813 -19.9813 -19.9138 -19.9138 -5.8985 -5.8985 -3.1165 -3.1165 -2.8868 -2.8868 -2.4201 -2.4201 -2.4059 -2.4059 -2.1384 -2.1384 8.1583 8.1583 11.1155 11.1155 11.5094 11.5094 13.8937 13.8937 k = 0.2616-0.3114-0.6470 ( 2992 PWs) bands (ev): -48.1636 -48.1636 -21.9318 -21.9318 -21.2246 -21.2246 -20.1709 -20.1709 -19.9803 -19.9803 -19.9131 -19.9131 -5.8895 -5.8895 -3.1203 -3.1203 -2.8969 -2.8969 -2.4252 -2.4252 -2.4143 -2.4143 -2.1416 -2.1416 8.2646 8.2646 11.0593 11.0593 11.4291 11.4291 13.9094 13.9094 k = 0.2670-0.3179-0.6605 ( 2994 PWs) bands (ev): -48.1635 -48.1635 -21.9282 -21.9282 -21.2296 -21.2296 -20.1710 -20.1710 -19.9792 -19.9792 -19.9124 -19.9124 -5.8808 -5.8808 -3.1228 -3.1228 -2.9068 -2.9068 -2.4312 -2.4312 -2.4217 -2.4217 -2.1447 -2.1447 8.3707 8.3707 11.0042 11.0042 11.3508 11.3508 13.9170 13.9170 k = 0.2725-0.3244-0.6740 ( 2992 PWs) bands (ev): -48.1634 -48.1634 -21.9243 -21.9243 -21.2350 -21.2350 -20.1709 -20.1709 -19.9782 -19.9782 -19.9116 -19.9116 -5.8724 -5.8724 -3.1240 -3.1240 -2.9166 -2.9166 -2.4387 -2.4387 -2.4273 -2.4273 -2.1475 -2.1475 8.4763 8.4763 10.9504 10.9504 11.2746 11.2746 13.9166 13.9166 k = 0.2779-0.3309-0.6875 ( 2996 PWs) bands (ev): -48.1634 -48.1634 -21.9203 -21.9203 -21.2408 -21.2408 -20.1708 -20.1708 -19.9772 -19.9772 -19.9107 -19.9107 -5.8643 -5.8643 -3.1239 -3.1239 -2.9264 -2.9264 -2.4474 -2.4474 -2.4315 -2.4315 -2.1501 -2.1501 8.5812 8.5812 10.8981 10.8981 11.2003 11.2003 13.9083 13.9083 k = 0.2834-0.3373-0.7010 ( 3000 PWs) bands (ev): -48.1633 -48.1633 -21.9160 -21.9160 -21.2469 -21.2469 -20.1707 -20.1707 -19.9764 -19.9764 -19.9097 -19.9097 -5.8565 -5.8565 -3.1226 -3.1226 -2.9361 -2.9361 -2.4568 -2.4568 -2.4349 -2.4349 -2.1524 -2.1524 8.6853 8.6853 10.8473 10.8473 11.1280 11.1280 13.8910 13.8911 k = 0.2888-0.3438-0.7144 ( 2998 PWs) bands (ev): -48.1633 -48.1633 -21.9115 -21.9115 -21.2534 -21.2534 -20.1705 -20.1705 -19.9758 -19.9758 -19.9083 -19.9083 -5.8491 -5.8491 -3.1201 -3.1201 -2.9457 -2.9457 -2.4664 -2.4664 -2.4377 -2.4377 -2.1544 -2.1544 8.7882 8.7882 10.7985 10.7985 11.0578 11.0578 13.8533 13.8533 k = 0.2943-0.3503-0.7279 ( 3002 PWs) bands (ev): -48.1632 -48.1632 -21.9068 -21.9068 -21.2602 -21.2602 -20.1703 -20.1703 -19.9754 -19.9754 -19.9066 -19.9066 -5.8419 -5.8419 -3.1164 -3.1164 -2.9552 -2.9552 -2.4762 -2.4762 -2.4402 -2.4402 -2.1561 -2.1561 8.8895 8.8895 10.7517 10.7517 10.9896 10.9896 13.8085 13.8085 k = 0.2997-0.3568-0.7414 ( 3002 PWs) bands (ev): -48.1632 -48.1632 -21.9019 -21.9019 -21.2674 -21.2674 -20.1701 -20.1701 -19.9753 -19.9753 -19.9046 -19.9046 -5.8351 -5.8351 -3.1115 -3.1115 -2.9647 -2.9647 -2.4862 -2.4862 -2.4423 -2.4423 -2.1574 -2.1574 8.9889 8.9889 10.7075 10.7075 10.9235 10.9235 13.7620 13.7620 k = 0.3052-0.3633-0.7549 ( 2996 PWs) bands (ev): -48.1632 -48.1632 -21.8968 -21.8968 -21.2747 -21.2747 -20.1699 -20.1699 -19.9755 -19.9755 -19.9022 -19.9022 -5.8286 -5.8286 -3.1056 -3.1056 -2.9741 -2.9741 -2.4961 -2.4961 -2.4440 -2.4440 -2.1584 -2.1584 9.0858 9.0858 10.6663 10.6663 10.8594 10.8594 13.7150 13.7150 k = 0.3106-0.3698-0.7684 ( 2986 PWs) bands (ev): -48.1631 -48.1631 -21.8915 -21.8915 -21.2823 -21.2823 -20.1697 -20.1697 -19.9760 -19.9760 -19.8993 -19.8993 -5.8225 -5.8225 -3.0987 -3.0987 -2.9834 -2.9834 -2.5061 -2.5061 -2.4455 -2.4455 -2.1589 -2.1589 9.1795 9.1795 10.6286 10.6286 10.7974 10.7974 13.6683 13.6683 k = 0.3161-0.3763-0.7818 ( 2988 PWs) bands (ev): -48.1631 -48.1631 -21.8861 -21.8861 -21.2902 -21.2902 -20.1696 -20.1696 -19.9770 -19.9770 -19.8961 -19.8961 -5.8167 -5.8167 -3.0909 -3.0909 -2.9925 -2.9925 -2.5161 -2.5161 -2.4468 -2.4468 -2.1590 -2.1590 9.2691 9.2691 10.5954 10.5954 10.7373 10.7373 13.6224 13.6224 k = 0.3215-0.3828-0.7953 ( 2992 PWs) bands (ev): -48.1631 -48.1631 -21.8805 -21.8805 -21.2981 -21.2981 -20.1696 -20.1696 -19.9783 -19.9783 -19.8926 -19.8926 -5.8112 -5.8112 -3.0823 -3.0823 -3.0015 -3.0015 -2.5260 -2.5260 -2.4479 -2.4479 -2.1587 -2.1587 9.3534 9.3534 10.5676 10.5676 10.6793 10.6793 13.5776 13.5776 k = 0.3270-0.3892-0.8088 ( 2992 PWs) bands (ev): -48.1631 -48.1631 -21.8748 -21.8748 -21.3063 -21.3063 -20.1695 -20.1695 -19.9800 -19.9800 -19.8886 -19.8886 -5.8060 -5.8060 -3.0732 -3.0732 -3.0101 -3.0101 -2.5359 -2.5359 -2.4487 -2.4487 -2.1580 -2.1580 9.4311 9.4311 10.5465 10.5465 10.6233 10.6233 13.5340 13.5340 k = 0.3324-0.3957-0.8223 ( 2992 PWs) bands (ev): -48.1631 -48.1631 -21.8690 -21.8690 -21.3145 -21.3145 -20.1696 -20.1696 -19.9819 -19.9819 -19.8843 -19.8843 -5.8012 -5.8012 -3.0641 -3.0641 -3.0178 -3.0178 -2.5456 -2.5456 -2.4494 -2.4494 -2.1568 -2.1568 9.5006 9.5006 10.5335 10.5335 10.5695 10.5695 13.4919 13.4919 k = 0.3379-0.4022-0.8358 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8631 -21.8631 -21.3228 -21.3228 -20.1697 -20.1697 -19.9842 -19.9842 -19.8797 -19.8797 -5.7967 -5.7967 -3.0564 -3.0564 -3.0234 -3.0234 -2.5553 -2.5553 -2.4500 -2.4500 -2.1551 -2.1551 9.5599 9.5599 10.5154 10.5154 10.5328 10.5328 13.4510 13.4510 k = 0.3433-0.4087-0.8492 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8571 -21.8571 -21.3311 -21.3311 -20.1699 -20.1699 -19.9867 -19.9867 -19.8749 -19.8749 -5.7925 -5.7925 -3.0536 -3.0536 -3.0232 -3.0232 -2.5648 -2.5648 -2.4505 -2.4505 -2.1529 -2.1529 9.6076 9.6076 10.4662 10.4662 10.5406 10.5406 13.4072 13.4073 k = 0.3488-0.4152-0.8627 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8510 -21.8510 -21.3394 -21.3394 -20.1702 -20.1702 -19.9895 -19.9895 -19.8698 -19.8698 -5.7886 -5.7886 -3.0573 -3.0573 -3.0160 -3.0160 -2.5741 -2.5741 -2.4509 -2.4509 -2.1503 -2.1503 9.6425 9.6425 10.4180 10.4180 10.5617 10.5617 13.3512 13.3513 k = 0.6512-0.2331-0.7482 ( 2994 PWs) bands (ev): -48.1631 -48.1631 -21.8510 -21.8510 -21.3394 -21.3394 -20.1702 -20.1702 -19.9895 -19.9895 -19.8698 -19.8698 -5.7886 -5.7886 -3.0573 -3.0573 -3.0160 -3.0160 -2.5741 -2.5741 -2.4509 -2.4509 -2.1503 -2.1503 9.6425 9.6425 10.4180 10.4180 10.5617 10.5617 13.3512 13.3512 k = 0.6458-0.2182-0.7482 ( 2998 PWs) bands (ev): -48.1631 -48.1631 -21.8449 -21.8449 -21.3477 -21.3477 -20.1705 -20.1705 -19.9924 -19.9924 -19.8647 -19.8647 -5.7851 -5.7851 -3.0640 -3.0640 -3.0051 -3.0051 -2.5830 -2.5830 -2.4513 -2.4513 -2.1473 -2.1473 9.6646 9.6646 10.3720 10.3720 10.5950 10.5950 13.2943 13.2943 k = 0.6404-0.2034-0.7482 ( 2996 PWs) bands (ev): -48.1631 -48.1631 -21.8388 -21.8388 -21.3559 -21.3559 -20.1709 -20.1709 -19.9955 -19.9955 -19.8593 -19.8593 -5.7818 -5.7818 -3.0718 -3.0718 -2.9926 -2.9926 -2.5918 -2.5918 -2.4516 -2.4516 -2.1439 -2.1439 9.6749 9.6749 10.3279 10.3279 10.6393 10.6393 13.2373 13.2373 k = 0.6350-0.1886-0.7482 ( 2990 PWs) bands (ev): -48.1632 -48.1632 -21.8327 -21.8327 -21.3640 -21.3640 -20.1713 -20.1713 -19.9986 -19.9986 -19.8540 -19.8540 -5.7788 -5.7788 -3.0799 -3.0799 -2.9794 -2.9794 -2.6002 -2.6002 -2.4519 -2.4519 -2.1400 -2.1400 9.6754 9.6754 10.2855 10.2855 10.6930 10.6930 13.1806 13.1806 k = 0.6296-0.1737-0.7482 ( 2994 PWs) bands (ev): -48.1632 -48.1632 -21.8266 -21.8266 -21.3720 -21.3720 -20.1719 -20.1719 -20.0019 -20.0019 -19.8486 -19.8486 -5.7760 -5.7760 -3.0882 -3.0882 -2.9657 -2.9657 -2.6083 -2.6083 -2.4523 -2.4523 -2.1358 -2.1358 9.6678 9.6678 10.2450 10.2450 10.7539 10.7539 13.1243 13.1243 k = 0.6242-0.1589-0.7482 ( 2994 PWs) bands (ev): -48.1632 -48.1632 -21.8206 -21.8206 -21.3799 -21.3799 -20.1725 -20.1725 -20.0052 -20.0052 -19.8431 -19.8431 -5.7736 -5.7736 -3.0963 -3.0963 -2.9518 -2.9518 -2.6160 -2.6160 -2.4526 -2.4526 -2.1312 -2.1312 9.6541 9.6541 10.2062 10.2062 10.8200 10.8200 13.0688 13.0688 k = 0.6188-0.1441-0.7482 ( 3000 PWs) bands (ev): -48.1632 -48.1632 -21.8145 -21.8145 -21.3877 -21.3877 -20.1732 -20.1732 -20.0085 -20.0085 -19.8377 -19.8377 -5.7713 -5.7713 -3.1044 -3.1044 -2.9378 -2.9378 -2.6234 -2.6234 -2.4530 -2.4530 -2.1263 -2.1263 9.6358 9.6358 10.1692 10.1692 10.8895 10.8895 13.0143 13.0143 k = 0.6134-0.1293-0.7482 ( 2998 PWs) bands (ev): -48.1633 -48.1633 -21.8086 -21.8086 -21.3952 -21.3952 -20.1740 -20.1740 -20.0119 -20.0119 -19.8323 -19.8323 -5.7693 -5.7693 -3.1123 -3.1123 -2.9239 -2.9239 -2.6302 -2.6302 -2.4534 -2.4534 -2.1211 -2.1211 9.6143 9.6143 10.1340 10.1340 10.9609 10.9609 12.9609 12.9609 k = 0.6080-0.1144-0.7482 ( 2992 PWs) bands (ev): -48.1633 -48.1633 -21.8027 -21.8027 -21.4026 -21.4026 -20.1748 -20.1748 -20.0151 -20.0151 -19.8270 -19.8270 -5.7675 -5.7675 -3.1199 -3.1199 -2.9102 -2.9102 -2.6365 -2.6365 -2.4539 -2.4539 -2.1157 -2.1157 9.5907 9.5907 10.1005 10.1005 11.0332 11.0332 12.9089 12.9089 k = 0.6026-0.0996-0.7482 ( 2986 PWs) bands (ev): -48.1633 -48.1633 -21.7970 -21.7970 -21.4097 -21.4097 -20.1756 -20.1756 -20.0184 -20.0184 -19.8218 -19.8218 -5.7659 -5.7659 -3.1274 -3.1274 -2.8968 -2.8968 -2.6423 -2.6423 -2.4543 -2.4543 -2.1101 -2.1101 9.5657 9.5657 10.0688 10.0688 11.1052 11.1052 12.8584 12.8584 k = 0.5972-0.0848-0.7482 ( 2992 PWs) bands (ev): -48.1633 -48.1633 -21.7914 -21.7914 -21.4166 -21.4166 -20.1765 -20.1765 -20.0217 -20.0217 -19.8167 -19.8167 -5.7645 -5.7645 -3.1346 -3.1346 -2.8840 -2.8840 -2.6474 -2.6474 -2.4548 -2.4548 -2.1044 -2.1044 9.5400 9.5400 10.0388 10.0388 11.1763 11.1763 12.8095 12.8095 k = 0.5918-0.0699-0.7482 ( 2988 PWs) bands (ev): -48.1634 -48.1634 -21.7859 -21.7859 -21.4233 -21.4233 -20.1775 -20.1775 -20.0248 -20.0248 -19.8117 -19.8117 -5.7633 -5.7633 -3.1416 -3.1416 -2.8718 -2.8718 -2.6518 -2.6518 -2.4553 -2.4553 -2.0986 -2.0986 9.5140 9.5140 10.0104 10.0104 11.2457 11.2457 12.7625 12.7625 k = 0.5864-0.0551-0.7482 ( 2982 PWs) bands (ev): -48.1634 -48.1634 -21.7806 -21.7806 -21.4296 -21.4296 -20.1784 -20.1784 -20.0278 -20.0278 -19.8070 -19.8070 -5.7622 -5.7622 -3.1482 -3.1482 -2.8603 -2.8603 -2.6553 -2.6553 -2.4558 -2.4558 -2.0928 -2.0928 9.4882 9.4882 9.9838 9.9838 11.3130 11.3130 12.7174 12.7174 k = 0.5810-0.0403-0.7482 ( 2984 PWs) bands (ev): -48.1634 -48.1634 -21.7755 -21.7755 -21.4357 -21.4357 -20.1794 -20.1794 -20.0307 -20.0307 -19.8024 -19.8024 -5.7613 -5.7613 -3.1546 -3.1546 -2.8498 -2.8498 -2.6581 -2.6581 -2.4563 -2.4563 -2.0871 -2.0871 9.4628 9.4628 9.9588 9.9588 11.3777 11.3777 12.6744 12.6744 k = 0.5756-0.0255-0.7482 ( 2984 PWs) bands (ev): -48.1635 -48.1635 -21.7706 -21.7706 -21.4414 -21.4414 -20.1805 -20.1805 -20.0335 -20.0335 -19.7980 -19.7980 -5.7605 -5.7605 -3.1606 -3.1606 -2.8403 -2.8403 -2.6599 -2.6599 -2.4568 -2.4568 -2.0815 -2.0815 9.4381 9.4381 9.9355 9.9355 11.4393 11.4393 12.6336 12.6336 k = 0.5702-0.0106-0.7482 ( 2982 PWs) bands (ev): -48.1635 -48.1635 -21.7660 -21.7660 -21.4468 -21.4468 -20.1815 -20.1815 -20.0361 -20.0361 -19.7939 -19.7939 -5.7599 -5.7599 -3.1663 -3.1663 -2.8320 -2.8320 -2.6607 -2.6607 -2.4573 -2.4573 -2.0759 -2.0759 9.4143 9.4143 9.9139 9.9139 11.4976 11.4976 12.5952 12.5952 k = 0.5648 0.0042-0.7482 ( 2984 PWs) bands (ev): -48.1635 -48.1635 -21.7616 -21.7616 -21.4519 -21.4519 -20.1825 -20.1825 -20.0386 -20.0386 -19.7900 -19.7900 -5.7593 -5.7593 -3.1716 -3.1716 -2.8248 -2.8248 -2.6606 -2.6606 -2.4578 -2.4578 -2.0706 -2.0706 9.3917 9.3917 9.8939 9.8939 11.5523 11.5523 12.5591 12.5591 k = 0.5594 0.0190-0.7482 ( 2986 PWs) bands (ev): -48.1636 -48.1636 -21.7575 -21.7575 -21.4566 -21.4566 -20.1835 -20.1835 -20.0409 -20.0409 -19.7863 -19.7863 -5.7588 -5.7588 -3.1766 -3.1766 -2.8189 -2.8189 -2.6597 -2.6597 -2.4583 -2.4583 -2.0655 -2.0655 9.3704 9.3704 9.8755 9.8755 11.6030 11.6030 12.5256 12.5256 k = 0.5540 0.0339-0.7482 ( 2980 PWs) bands (ev): -48.1636 -48.1636 -21.7537 -21.7537 -21.4610 -21.4610 -20.1845 -20.1845 -20.0430 -20.0430 -19.7829 -19.7829 -5.7585 -5.7585 -3.1811 -3.1811 -2.8141 -2.8141 -2.6580 -2.6580 -2.4588 -2.4588 -2.0607 -2.0607 9.3505 9.3505 9.8588 9.8588 11.6497 11.6497 12.4946 12.4946 k = 0.5486 0.0487-0.7482 ( 2980 PWs) bands (ev): -48.1636 -48.1636 -21.7502 -21.7502 -21.4649 -21.4649 -20.1854 -20.1854 -20.0449 -20.0449 -19.7798 -19.7798 -5.7582 -5.7582 -3.1853 -3.1853 -2.8103 -2.8103 -2.6557 -2.6557 -2.4592 -2.4592 -2.0562 -2.0562 9.3321 9.3321 9.8437 9.8437 11.6921 11.6921 12.4664 12.4664 k = 0.5432 0.0635-0.7482 ( 2978 PWs) bands (ev): -48.1636 -48.1636 -21.7470 -21.7470 -21.4685 -21.4685 -20.1863 -20.1863 -20.0467 -20.0467 -19.7770 -19.7770 -5.7579 -5.7579 -3.1890 -3.1890 -2.8074 -2.8074 -2.6529 -2.6529 -2.4596 -2.4596 -2.0521 -2.0521 9.3154 9.3154 9.8302 9.8302 11.7301 11.7301 12.4409 12.4409 k = 0.5378 0.0783-0.7482 ( 2980 PWs) bands (ev): -48.1636 -48.1636 -21.7441 -21.7441 -21.4717 -21.4717 -20.1871 -20.1871 -20.0482 -20.0482 -19.7745 -19.7745 -5.7577 -5.7577 -3.1924 -3.1924 -2.8054 -2.8054 -2.6500 -2.6500 -2.4600 -2.4600 -2.0484 -2.0484 9.3005 9.3005 9.8183 9.8183 11.7637 11.7637 12.4183 12.4183 k = 0.5324 0.0932-0.7482 ( 2978 PWs) bands (ev): -48.1637 -48.1637 -21.7416 -21.7416 -21.4745 -21.4745 -20.1878 -20.1878 -20.0496 -20.0496 -19.7723 -19.7723 -5.7576 -5.7576 -3.1953 -3.1953 -2.8039 -2.8039 -2.6470 -2.6470 -2.4603 -2.4603 -2.0451 -2.0451 9.2874 9.2874 9.8080 9.8080 11.7929 11.7929 12.3985 12.3985 k = 0.5270 0.1080-0.7482 ( 2976 PWs) bands (ev): -48.1637 -48.1637 -21.7395 -21.7395 -21.4768 -21.4768 -20.1884 -20.1884 -20.0507 -20.0507 -19.7705 -19.7705 -5.7575 -5.7575 -3.1978 -3.1978 -2.8029 -2.8029 -2.6442 -2.6442 -2.4605 -2.4605 -2.0422 -2.0422 9.2762 9.2762 9.7993 9.7993 11.8175 11.8175 12.3818 12.3818 k = 0.5216 0.1228-0.7482 ( 2982 PWs) bands (ev): -48.1637 -48.1637 -21.7378 -21.7378 -21.4787 -21.4787 -20.1890 -20.1890 -20.0517 -20.0517 -19.7690 -19.7690 -5.7574 -5.7574 -3.1998 -3.1998 -2.8022 -2.8022 -2.6417 -2.6417 -2.4608 -2.4608 -2.0399 -2.0399 9.2669 9.2669 9.7921 9.7921 11.8375 11.8375 12.3680 12.3680 k = 0.5162 0.1376-0.7482 ( 2988 PWs) bands (ev): -48.1637 -48.1637 -21.7364 -21.7364 -21.4803 -21.4803 -20.1894 -20.1894 -20.0525 -20.0525 -19.7678 -19.7678 -5.7574 -5.7574 -3.2014 -3.2014 -2.8018 -2.8018 -2.6396 -2.6396 -2.4609 -2.4609 -2.0380 -2.0380 9.2597 9.2597 9.7866 9.7866 11.8531 11.8531 12.3572 12.3572 k = 0.5108 0.1525-0.7482 ( 2992 PWs) bands (ev): -48.1637 -48.1637 -21.7354 -21.7354 -21.4814 -21.4814 -20.1897 -20.1897 -20.0530 -20.0530 -19.7669 -19.7669 -5.7573 -5.7573 -3.2026 -3.2026 -2.8016 -2.8016 -2.6381 -2.6381 -2.4611 -2.4611 -2.0367 -2.0367 9.2545 9.2545 9.7826 9.7826 11.8643 11.8643 12.3495 12.3495 k = 0.5054 0.1673-0.7482 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.7348 -21.7348 -21.4820 -21.4820 -20.1899 -20.1899 -20.0533 -20.0533 -19.7664 -19.7664 -5.7573 -5.7573 -3.2032 -3.2032 -2.8014 -2.8014 -2.6372 -2.6372 -2.4611 -2.4611 -2.0359 -2.0359 9.2513 9.2513 9.7803 9.7803 11.8709 11.8709 12.3448 12.3448 k = 0.5000 0.1821-0.7482 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.7346 -21.7346 -21.4822 -21.4822 -20.1900 -20.1900 -20.0534 -20.0534 -19.7662 -19.7662 -5.7573 -5.7573 -3.2035 -3.2035 -2.8014 -2.8014 -2.6369 -2.6369 -2.4612 -2.4612 -2.0356 -2.0356 9.2503 9.2503 9.7795 9.7795 11.8731 11.8731 12.3433 12.3433 k = 0.5000 0.1821-0.7482 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.7346 -21.7346 -21.4822 -21.4822 -20.1900 -20.1900 -20.0534 -20.0534 -19.7662 -19.7662 -5.7573 -5.7573 -3.2035 -3.2035 -2.8014 -2.8014 -2.6369 -2.6369 -2.4612 -2.4612 -2.0356 -2.0356 9.2503 9.2503 9.7795 9.7795 11.8731 11.8731 12.3433 12.3433 k = 0.5116 0.1864-0.7394 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.7354 -21.7354 -21.4813 -21.4813 -20.1900 -20.1900 -20.0534 -20.0534 -19.7664 -19.7664 -5.7573 -5.7573 -3.2026 -3.2026 -2.8041 -2.8041 -2.6366 -2.6366 -2.4592 -2.4592 -2.0358 -2.0358 9.2491 9.2491 9.7798 9.7798 11.8737 11.8737 12.3332 12.3332 k = 0.5233 0.1906-0.7306 ( 2992 PWs) bands (ev): -48.1637 -48.1637 -21.7378 -21.7378 -21.4784 -21.4784 -20.1900 -20.1900 -20.0534 -20.0534 -19.7670 -19.7670 -5.7574 -5.7574 -3.1999 -3.1999 -2.8120 -2.8120 -2.6358 -2.6358 -2.4533 -2.4533 -2.0364 -2.0364 9.2453 9.2453 9.7807 9.7807 11.8754 11.8754 12.3059 12.3059 k = 0.5349 0.1948-0.7218 ( 2987 PWs) bands (ev): -48.1637 -48.1637 -21.7416 -21.7416 -21.4738 -21.4738 -20.1899 -20.1899 -20.0533 -20.0533 -19.7679 -19.7679 -5.7575 -5.7575 -3.1955 -3.1955 -2.8245 -2.8245 -2.6346 -2.6346 -2.4442 -2.4442 -2.0374 -2.0374 9.2390 9.2390 9.7823 9.7823 11.8774 11.8774 12.2675 12.2675 k = 0.5465 0.1991-0.7130 ( 2985 PWs) bands (ev): -48.1637 -48.1637 -21.7467 -21.7467 -21.4676 -21.4676 -20.1898 -20.1898 -20.0532 -20.0532 -19.7692 -19.7692 -5.7577 -5.7577 -3.1893 -3.1893 -2.8409 -2.8409 -2.6330 -2.6330 -2.4326 -2.4326 -2.0387 -2.0387 9.2300 9.2300 9.7846 9.7846 11.8787 11.8787 12.2251 12.2251 k = 0.5582 0.2033-0.7042 ( 2980 PWs) bands (ev): -48.1637 -48.1637 -21.7530 -21.7530 -21.4600 -21.4600 -20.1897 -20.1897 -20.0531 -20.0531 -19.7709 -19.7709 -5.7580 -5.7580 -3.1815 -3.1815 -2.8602 -2.8602 -2.6310 -2.6310 -2.4191 -2.4191 -2.0405 -2.0405 9.2182 9.2182 9.7877 9.7877 11.8772 11.8772 12.1847 12.1847 k = 0.5698 0.2076-0.6954 ( 2977 PWs) bands (ev): -48.1637 -48.1637 -21.7601 -21.7601 -21.4512 -21.4512 -20.1896 -20.1896 -20.0530 -20.0530 -19.7728 -19.7728 -5.7584 -5.7584 -3.1719 -3.1719 -2.8818 -2.8818 -2.6287 -2.6287 -2.4045 -2.4045 -2.0426 -2.0426 9.2035 9.2035 9.7917 9.7917 11.8702 11.8702 12.1521 12.1521 k = 0.5814 0.2118-0.6866 ( 2979 PWs) bands (ev): -48.1637 -48.1637 -21.7680 -21.7680 -21.4415 -21.4415 -20.1895 -20.1895 -20.0528 -20.0528 -19.7752 -19.7752 -5.7589 -5.7589 -3.1607 -3.1607 -2.9052 -2.9052 -2.6260 -2.6260 -2.3892 -2.3892 -2.0451 -2.0451 9.1856 9.1856 9.7967 9.7967 11.8550 11.8550 12.1317 12.1317 k = 0.5931 0.2160-0.6778 ( 2980 PWs) bands (ev): -48.1637 -48.1637 -21.7764 -21.7764 -21.4309 -21.4309 -20.1894 -20.1894 -20.0527 -20.0527 -19.7779 -19.7779 -5.7595 -5.7595 -3.1480 -3.1480 -2.9297 -2.9297 -2.6229 -2.6229 -2.3739 -2.3739 -2.0479 -2.0479 9.1644 9.1644 9.8026 9.8026 11.8311 11.8311 12.1255 12.1255 k = 0.6047 0.2203-0.6690 ( 2980 PWs) bands (ev): -48.1638 -48.1638 -21.7852 -21.7852 -21.4196 -21.4196 -20.1892 -20.1892 -20.0525 -20.0525 -19.7809 -19.7809 -5.7602 -5.7602 -3.1339 -3.1339 -2.9549 -2.9549 -2.6195 -2.6195 -2.3587 -2.3587 -2.0511 -2.0511 9.1397 9.1397 9.8098 9.8098 11.8007 11.8007 12.1319 12.1319 k = 0.6163 0.2245-0.6602 ( 2981 PWs) bands (ev): -48.1638 -48.1638 -21.7943 -21.7943 -21.4078 -21.4078 -20.1890 -20.1890 -20.0523 -20.0523 -19.7841 -19.7841 -5.7611 -5.7611 -3.1185 -3.1185 -2.9803 -2.9803 -2.6157 -2.6157 -2.3439 -2.3439 -2.0547 -2.0547 9.1115 9.1115 9.8181 9.8181 11.7673 11.7673 12.1483 12.1483 k = 0.6280 0.2287-0.6514 ( 2985 PWs) bands (ev): -48.1638 -48.1638 -21.8036 -21.8036 -21.3956 -21.3956 -20.1889 -20.1889 -20.0520 -20.0520 -19.7877 -19.7877 -5.7622 -5.7622 -3.1023 -3.1023 -3.0052 -3.0052 -2.6115 -2.6115 -2.3298 -2.3298 -2.0586 -2.0586 9.0797 9.0797 9.8278 9.8278 11.7338 11.7338 12.1722 12.1722 k = 0.6396 0.2330-0.6426 ( 2985 PWs) bands (ev): -48.1638 -48.1638 -21.8130 -21.8130 -21.3831 -21.3831 -20.1887 -20.1887 -20.0518 -20.0518 -19.7916 -19.7916 -5.7635 -5.7635 -3.0872 -3.0872 -3.0276 -3.0276 -2.6070 -2.6070 -2.3165 -2.3165 -2.0629 -2.0629 9.0441 9.0441 9.8387 9.8387 11.7024 11.7024 12.2017 12.2017 k = 0.6512 0.2372-0.6338 ( 2989 PWs) bands (ev): -48.1638 -48.1638 -21.8225 -21.8225 -21.3704 -21.3704 -20.1884 -20.1884 -20.0515 -20.0515 -19.7957 -19.7957 -5.7650 -5.7650 -3.0819 -3.0819 -3.0387 -3.0387 -2.6022 -2.6022 -2.3042 -2.3042 -2.0676 -2.0676 9.0049 9.0049 9.8511 9.8511 11.6742 11.6742 12.2358 12.2358 k = 0.6512 0.2372-0.6338 ( 2989 PWs) bands (ev): -48.1638 -48.1638 -21.8225 -21.8225 -21.3704 -21.3704 -20.1884 -20.1884 -20.0515 -20.0515 -19.7957 -19.7957 -5.7650 -5.7650 -3.0819 -3.0819 -3.0387 -3.0387 -2.6022 -2.6022 -2.3042 -2.3042 -2.0676 -2.0676 9.0049 9.0049 9.8511 9.8511 11.6742 11.6742 12.2358 12.2358 k = 0.6481 0.2361-0.6182 ( 2991 PWs) bands (ev): -48.1639 -48.1639 -21.8198 -21.8198 -21.3740 -21.3740 -20.1874 -20.1874 -20.0507 -20.0507 -19.7975 -19.7975 -5.7595 -5.7595 -3.0771 -3.0771 -3.0419 -3.0419 -2.6024 -2.6024 -2.3047 -2.3047 -2.0650 -2.0650 8.9451 8.9451 9.9275 9.9275 11.5682 11.5682 12.2483 12.2483 k = 0.6449 0.2349-0.6026 ( 2989 PWs) bands (ev): -48.1639 -48.1639 -21.8173 -21.8173 -21.3774 -21.3774 -20.1861 -20.1861 -20.0497 -20.0497 -19.7997 -19.7997 -5.7543 -5.7543 -3.0734 -3.0734 -3.0427 -3.0427 -2.6023 -2.6023 -2.3048 -2.3048 -2.0623 -2.0623 8.8754 8.8754 10.0142 10.0142 11.4612 11.4612 12.2654 12.2654 k = 0.6418 0.2338-0.5870 ( 2994 PWs) bands (ev): -48.1640 -48.1640 -21.8150 -21.8150 -21.3806 -21.3806 -20.1847 -20.1847 -20.0487 -20.0487 -19.8023 -19.8023 -5.7493 -5.7493 -3.0718 -3.0718 -3.0401 -3.0401 -2.6021 -2.6021 -2.3044 -2.3044 -2.0594 -2.0594 8.7999 8.7999 10.1068 10.1068 11.3540 11.3540 12.2867 12.2867 k = 0.6386 0.2326-0.5714 ( 2988 PWs) bands (ev): -48.1641 -48.1641 -21.8129 -21.8129 -21.3837 -21.3837 -20.1832 -20.1832 -20.0474 -20.0474 -19.8052 -19.8052 -5.7445 -5.7445 -3.0724 -3.0724 -3.0341 -3.0341 -2.6016 -2.6016 -2.3035 -2.3035 -2.0563 -2.0563 8.7211 8.7211 10.2026 10.2026 11.2470 11.2470 12.3121 12.3121 k = 0.6355 0.2315-0.5558 ( 2992 PWs) bands (ev): -48.1641 -48.1641 -21.8109 -21.8109 -21.3865 -21.3865 -20.1816 -20.1816 -20.0461 -20.0461 -19.8084 -19.8084 -5.7399 -5.7399 -3.0744 -3.0744 -3.0257 -3.0257 -2.6009 -2.6009 -2.3021 -2.3021 -2.0531 -2.0531 8.6406 8.6406 10.2993 10.2993 11.1409 11.1409 12.3416 12.3416 k = 0.6323 0.2303-0.5402 ( 2994 PWs) bands (ev): -48.1642 -48.1642 -21.8092 -21.8092 -21.3891 -21.3891 -20.1799 -20.1799 -20.0446 -20.0446 -19.8120 -19.8120 -5.7354 -5.7354 -3.0769 -3.0769 -3.0157 -3.0157 -2.6000 -2.6000 -2.3001 -2.3001 -2.0498 -2.0498 8.5592 8.5592 10.3954 10.3954 11.0360 11.0360 12.3754 12.3754 k = 0.6292 0.2292-0.5247 ( 2997 PWs) bands (ev): -48.1643 -48.1643 -21.8078 -21.8078 -21.3914 -21.3914 -20.1781 -20.1781 -20.0429 -20.0429 -19.8160 -19.8160 -5.7312 -5.7312 -3.0795 -3.0795 -3.0045 -3.0045 -2.5989 -2.5989 -2.2975 -2.2975 -2.0463 -2.0463 8.4777 8.4777 10.4887 10.4887 10.9338 10.9338 12.4137 12.4137 k = 0.6260 0.2280-0.5091 ( 2997 PWs) bands (ev): -48.1644 -48.1644 -21.8066 -21.8066 -21.3934 -21.3934 -20.1763 -20.1763 -20.0411 -20.0411 -19.8202 -19.8202 -5.7271 -5.7271 -3.0822 -3.0822 -2.9924 -2.9924 -2.5975 -2.5975 -2.2943 -2.2943 -2.0427 -2.0427 8.3964 8.3964 10.5740 10.5740 10.8388 10.8388 12.4570 12.4570 k = 0.6229 0.2269-0.4935 ( 2996 PWs) bands (ev): -48.1645 -48.1645 -21.8056 -21.8056 -21.3951 -21.3951 -20.1744 -20.1744 -20.0392 -20.0392 -19.8248 -19.8248 -5.7231 -5.7231 -3.0849 -3.0849 -2.9795 -2.9795 -2.5960 -2.5960 -2.2905 -2.2905 -2.0389 -2.0389 8.3157 8.3157 10.6243 10.6243 10.7772 10.7772 12.5055 12.5055 k = 0.6197 0.2257-0.4779 ( 2991 PWs) bands (ev): -48.1646 -48.1646 -21.8050 -21.8050 -21.3964 -21.3964 -20.1725 -20.1725 -20.0371 -20.0371 -19.8295 -19.8295 -5.7194 -5.7194 -3.0876 -3.0876 -2.9659 -2.9659 -2.5944 -2.5944 -2.2859 -2.2859 -2.0351 -2.0351 8.2357 8.2357 10.5780 10.5780 10.8102 10.8102 12.5596 12.5596 k = 0.6166 0.2246-0.4623 ( 2992 PWs) bands (ev): -48.1648 -48.1648 -21.8046 -21.8046 -21.3974 -21.3974 -20.1706 -20.1706 -20.0349 -20.0349 -19.8346 -19.8346 -5.7158 -5.7158 -3.0902 -3.0902 -2.9518 -2.9518 -2.5925 -2.5925 -2.2808 -2.2808 -2.0311 -2.0311 8.1566 8.1566 10.4883 10.4883 10.8841 10.8841 12.6197 12.6197 k = 0.6134 0.2235-0.4467 ( 2998 PWs) bands (ev): -48.1649 -48.1649 -21.8046 -21.8046 -21.3980 -21.3980 -20.1687 -20.1687 -20.0326 -20.0326 -19.8400 -19.8400 -5.7123 -5.7123 -3.0927 -3.0927 -2.9371 -2.9371 -2.5905 -2.5905 -2.2749 -2.2749 -2.0271 -2.0271 8.0786 8.0786 10.3915 10.3915 10.9621 10.9621 12.6862 12.6862 k = 0.6103 0.2223-0.4311 ( 2998 PWs) bands (ev): -48.1650 -48.1650 -21.8049 -21.8049 -21.3981 -21.3981 -20.1668 -20.1668 -20.0302 -20.0302 -19.8456 -19.8456 -5.7090 -5.7090 -3.0952 -3.0952 -2.9220 -2.9220 -2.5884 -2.5884 -2.2684 -2.2684 -2.0230 -2.0230 8.0017 8.0017 10.2935 10.2935 11.0379 11.0379 12.7592 12.7592 k = 0.6071 0.2212-0.4155 ( 2998 PWs) bands (ev): -48.1652 -48.1652 -21.8054 -21.8054 -21.3979 -21.3979 -20.1650 -20.1650 -20.0276 -20.0276 -19.8513 -19.8513 -5.7058 -5.7058 -3.0977 -3.0977 -2.9065 -2.9065 -2.5861 -2.5861 -2.2611 -2.2611 -2.0188 -2.0188 7.9261 7.9261 10.1959 10.1959 11.1100 11.1100 12.8391 12.8391 k = 0.6040 0.2200-0.3999 ( 2990 PWs) bands (ev): -48.1653 -48.1653 -21.8063 -21.8063 -21.3972 -21.3972 -20.1632 -20.1632 -20.0249 -20.0249 -19.8572 -19.8572 -5.7026 -5.7026 -3.1002 -3.1002 -2.8906 -2.8906 -2.5836 -2.5836 -2.2531 -2.2531 -2.0145 -2.0145 7.8518 7.8518 10.0991 10.0991 11.1775 11.1775 12.9258 12.9258 k = 0.6008 0.2189-0.3844 ( 2994 PWs) bands (ev): -48.1654 -48.1654 -21.8075 -21.8075 -21.3961 -21.3961 -20.1615 -20.1615 -20.0222 -20.0222 -19.8634 -19.8634 -5.6997 -5.6997 -3.1028 -3.1028 -2.8745 -2.8745 -2.5811 -2.5811 -2.2445 -2.2445 -2.0102 -2.0102 7.7789 7.7789 10.0035 10.0035 11.2401 11.2401 13.0194 13.0194 k = 0.5977 0.2177-0.3688 ( 3004 PWs) bands (ev): -48.1656 -48.1656 -21.8090 -21.8090 -21.3947 -21.3947 -20.1600 -20.1600 -20.0195 -20.0195 -19.8697 -19.8697 -5.6968 -5.6968 -3.1054 -3.1054 -2.8582 -2.8582 -2.5784 -2.5784 -2.2352 -2.2352 -2.0058 -2.0058 7.7075 7.7075 9.9093 9.9093 11.2979 11.2979 13.1198 13.1198 k = 0.5945 0.2166-0.3532 ( 3008 PWs) bands (ev): -48.1657 -48.1657 -21.8107 -21.8107 -21.3928 -21.3928 -20.1586 -20.1586 -20.0166 -20.0166 -19.8760 -19.8760 -5.6941 -5.6941 -3.1080 -3.1080 -2.8418 -2.8418 -2.5757 -2.5757 -2.2253 -2.2253 -2.0015 -2.0015 7.6376 7.6376 9.8167 9.8167 11.3509 11.3509 13.2266 13.2266 k = 0.5914 0.2154-0.3376 ( 3007 PWs) bands (ev): -48.1659 -48.1659 -21.8127 -21.8127 -21.3906 -21.3906 -20.1572 -20.1572 -20.0137 -20.0137 -19.8824 -19.8824 -5.6914 -5.6914 -3.1107 -3.1107 -2.8252 -2.8252 -2.5728 -2.5728 -2.2147 -2.2147 -1.9970 -1.9970 7.5692 7.5692 9.7257 9.7257 11.3992 11.3992 13.3397 13.3397 k = 0.5882 0.2143-0.3220 ( 3011 PWs) bands (ev): -48.1660 -48.1660 -21.8149 -21.8149 -21.3880 -21.3880 -20.1560 -20.1560 -20.0108 -20.0108 -19.8888 -19.8888 -5.6889 -5.6889 -3.1134 -3.1134 -2.8086 -2.8086 -2.5699 -2.5699 -2.2036 -2.2036 -1.9926 -1.9926 7.5025 7.5025 9.6365 9.6365 11.4432 11.4432 13.4587 13.4587 k = 0.5851 0.2131-0.3064 ( 3007 PWs) bands (ev): -48.1662 -48.1662 -21.8174 -21.8174 -21.3851 -21.3851 -20.1549 -20.1549 -20.0079 -20.0079 -19.8951 -19.8951 -5.6864 -5.6864 -3.1162 -3.1162 -2.7921 -2.7921 -2.5670 -2.5670 -2.1919 -2.1919 -1.9882 -1.9882 7.4375 7.4375 9.5492 9.5492 11.4831 11.4831 13.5831 13.5831 k = 0.5819 0.2120-0.2908 ( 3008 PWs) bands (ev): -48.1663 -48.1663 -21.8200 -21.8200 -21.3818 -21.3818 -20.1539 -20.1539 -20.0051 -20.0051 -19.9014 -19.9014 -5.6840 -5.6840 -3.1191 -3.1191 -2.7756 -2.7756 -2.5639 -2.5639 -2.1798 -2.1798 -1.9838 -1.9838 7.3742 7.3742 9.4639 9.4639 11.5192 11.5192 13.7127 13.7127 k = 0.5788 0.2108-0.2752 ( 3004 PWs) bands (ev): -48.1665 -48.1665 -21.8228 -21.8228 -21.3783 -21.3783 -20.1531 -20.1531 -20.0023 -20.0023 -19.9075 -19.9075 -5.6817 -5.6817 -3.1219 -3.1219 -2.7592 -2.7592 -2.5609 -2.5609 -2.1672 -2.1672 -1.9794 -1.9794 7.3127 7.3127 9.3807 9.3807 11.5519 11.5519 13.8470 13.8470 k = 0.5756 0.2097-0.2596 ( 3005 PWs) bands (ev): -48.1666 -48.1666 -21.8257 -21.8257 -21.3745 -21.3745 -20.1525 -20.1525 -19.9997 -19.9997 -19.9135 -19.9135 -5.6795 -5.6795 -3.1249 -3.1249 -2.7431 -2.7431 -2.5578 -2.5578 -2.1542 -2.1542 -1.9750 -1.9750 7.2530 7.2530 9.2997 9.2997 11.5815 11.5815 13.9856 13.9856 k = 0.5725 0.2085-0.2441 ( 3009 PWs) bands (ev): -48.1668 -48.1668 -21.8287 -21.8287 -21.3706 -21.3706 -20.1520 -20.1520 -19.9972 -19.9972 -19.9192 -19.9192 -5.6773 -5.6773 -3.1279 -3.1279 -2.7272 -2.7272 -2.5547 -2.5547 -2.1410 -2.1410 -1.9707 -1.9707 7.1953 7.1953 9.2210 9.2210 11.6082 11.6082 14.1282 14.1282 k = 0.5693 0.2074-0.2285 ( 3005 PWs) bands (ev): -48.1669 -48.1669 -21.8318 -21.8318 -21.3664 -21.3664 -20.1517 -20.1517 -19.9950 -19.9950 -19.9246 -19.9246 -5.6752 -5.6752 -3.1308 -3.1308 -2.7116 -2.7116 -2.5516 -2.5516 -2.1275 -2.1275 -1.9665 -1.9665 7.1394 7.1394 9.1447 9.1447 11.6323 11.6323 14.2745 14.2745 k = 0.5662 0.2062-0.2129 ( 3007 PWs) bands (ev): -48.1671 -48.1671 -21.8350 -21.8350 -21.3621 -21.3621 -20.1516 -20.1516 -19.9932 -19.9932 -19.9295 -19.9295 -5.6733 -5.6733 -3.1338 -3.1338 -2.6963 -2.6963 -2.5485 -2.5485 -2.1139 -2.1139 -1.9623 -1.9623 7.0856 7.0856 9.0709 9.0709 11.6540 11.6540 14.4240 14.4240 k = 0.5630 0.2051-0.1973 ( 3001 PWs) bands (ev): -48.1672 -48.1672 -21.8382 -21.8382 -21.3576 -21.3576 -20.1516 -20.1516 -19.9917 -19.9917 -19.9338 -19.9338 -5.6713 -5.6713 -3.1368 -3.1368 -2.6815 -2.6815 -2.5453 -2.5453 -2.1002 -2.1002 -1.9582 -1.9582 7.0339 7.0339 8.9997 8.9997 11.6736 11.6736 14.5766 14.5766 k = 0.5599 0.2039-0.1817 ( 2995 PWs) bands (ev): -48.1673 -48.1673 -21.8414 -21.8414 -21.3531 -21.3531 -20.1518 -20.1518 -19.9908 -19.9908 -19.9375 -19.9375 -5.6695 -5.6695 -3.1398 -3.1398 -2.6670 -2.6670 -2.5422 -2.5422 -2.0865 -2.0865 -1.9541 -1.9541 6.9842 6.9842 8.9312 8.9312 11.6913 11.6913 14.7319 14.7319 k = 0.5567 0.2028-0.1661 ( 2995 PWs) bands (ev): -48.1675 -48.1675 -21.8446 -21.8446 -21.3485 -21.3485 -20.1522 -20.1522 -19.9905 -19.9905 -19.9404 -19.9404 -5.6678 -5.6678 -3.1428 -3.1428 -2.6532 -2.6532 -2.5392 -2.5392 -2.0729 -2.0729 -1.9501 -1.9501 6.9367 6.9367 8.8656 8.8656 11.7071 11.7071 14.8895 14.8895 k = 0.5536 0.2016-0.1505 ( 2997 PWs) bands (ev): -48.1676 -48.1676 -21.8477 -21.8477 -21.3440 -21.3440 -20.1527 -20.1527 -19.9909 -19.9909 -19.9425 -19.9425 -5.6661 -5.6661 -3.1457 -3.1457 -2.6399 -2.6399 -2.5361 -2.5361 -2.0596 -2.0596 -1.9462 -1.9462 6.8914 6.8914 8.8028 8.8028 11.7214 11.7214 15.0493 15.0493 k = 0.5504 0.2005-0.1349 ( 3000 PWs) bands (ev): -48.1677 -48.1677 -21.8508 -21.8508 -21.3394 -21.3394 -20.1534 -20.1534 -19.9920 -19.9920 -19.9437 -19.9437 -5.6645 -5.6645 -3.1485 -3.1485 -2.6271 -2.6271 -2.5331 -2.5331 -2.0465 -2.0465 -1.9424 -1.9424 6.8484 6.8484 8.7430 8.7430 11.7342 11.7342 15.2109 15.2109 k = 0.5473 0.1993-0.1194 ( 3004 PWs) bands (ev): -48.1679 -48.1679 -21.8538 -21.8538 -21.3350 -21.3350 -20.1543 -20.1543 -19.9936 -19.9936 -19.9442 -19.9442 -5.6630 -5.6630 -3.1513 -3.1513 -2.6151 -2.6151 -2.5301 -2.5301 -2.0338 -2.0338 -1.9387 -1.9387 6.8077 6.8077 8.6863 8.6863 11.7456 11.7456 15.3739 15.3739 k = 0.5441 0.1982-0.1038 ( 3004 PWs) bands (ev): -48.1680 -48.1680 -21.8567 -21.8567 -21.3306 -21.3306 -20.1553 -20.1553 -19.9957 -19.9957 -19.9441 -19.9441 -5.6616 -5.6616 -3.1540 -3.1540 -2.6037 -2.6037 -2.5272 -2.5272 -2.0216 -2.0216 -1.9350 -1.9350 6.7694 6.7694 8.6328 8.6328 11.7558 11.7558 15.5382 15.5382 k = 0.5410 0.1971-0.0882 ( 3006 PWs) bands (ev): -48.1681 -48.1681 -21.8594 -21.8594 -21.3263 -21.3263 -20.1564 -20.1564 -19.9980 -19.9980 -19.9436 -19.9436 -5.6603 -5.6603 -3.1566 -3.1566 -2.5931 -2.5931 -2.5242 -2.5242 -2.0100 -2.0100 -1.9314 -1.9314 6.7334 6.7334 8.5825 8.5825 11.7649 11.7649 15.7032 15.7032 k = 0.5378 0.1959-0.0726 ( 3010 PWs) bands (ev): -48.1682 -48.1682 -21.8621 -21.8621 -21.3222 -21.3222 -20.1576 -20.1576 -20.0004 -20.0004 -19.9427 -19.9427 -5.6590 -5.6590 -3.1590 -3.1590 -2.5834 -2.5834 -2.5213 -2.5213 -1.9991 -1.9991 -1.9279 -1.9279 6.6999 6.6999 8.5356 8.5356 11.7730 11.7730 15.8687 15.8687 k = 0.5347 0.1948-0.0570 ( 3010 PWs) bands (ev): -48.1683 -48.1683 -21.8645 -21.8645 -21.3184 -21.3184 -20.1588 -20.1588 -20.0028 -20.0028 -19.9417 -19.9417 -5.6579 -5.6579 -3.1613 -3.1613 -2.5744 -2.5744 -2.5184 -2.5184 -1.9889 -1.9889 -1.9244 -1.9244 6.6690 6.6690 8.4922 8.4922 11.7802 11.7802 16.0342 16.0342 k = 0.5315 0.1936-0.0414 ( 3012 PWs) bands (ev): -48.1684 -48.1684 -21.8668 -21.8668 -21.3147 -21.3147 -20.1601 -20.1601 -20.0051 -20.0051 -19.9405 -19.9405 -5.6568 -5.6568 -3.1634 -3.1634 -2.5664 -2.5664 -2.5154 -2.5154 -1.9796 -1.9796 -1.9209 -1.9209 6.6405 6.6405 8.4522 8.4522 11.7864 11.7864 16.1993 16.1993 k = 0.5284 0.1925-0.0258 ( 3020 PWs) bands (ev): -48.1685 -48.1685 -21.8690 -21.8690 -21.3113 -21.3113 -20.1614 -20.1614 -20.0074 -20.0074 -19.9394 -19.9394 -5.6558 -5.6558 -3.1654 -3.1654 -2.5594 -2.5594 -2.5126 -2.5126 -1.9712 -1.9712 -1.9175 -1.9175 6.6147 6.6147 8.4158 8.4158 11.7919 11.7919 16.3634 16.3634 k = 0.5252 0.1913-0.0102 ( 3021 PWs) bands (ev): -48.1685 -48.1685 -21.8709 -21.8709 -21.3081 -21.3081 -20.1626 -20.1626 -20.0094 -20.0094 -19.9383 -19.9383 -5.6549 -5.6549 -3.1672 -3.1672 -2.5532 -2.5532 -2.5097 -2.5097 -1.9639 -1.9639 -1.9141 -1.9141 6.5915 6.5915 8.3831 8.3831 11.7967 11.7967 16.5260 16.5260 k = 0.5221 0.1902 0.0054 ( 3019 PWs) bands (ev): -48.1686 -48.1686 -21.8726 -21.8726 -21.3053 -21.3053 -20.1638 -20.1638 -20.0111 -20.0111 -19.9372 -19.9372 -5.6541 -5.6541 -3.1689 -3.1689 -2.5480 -2.5480 -2.5068 -2.5068 -1.9575 -1.9575 -1.9107 -1.9107 6.5709 6.5709 8.3540 8.3540 11.8007 11.8007 16.6864 16.6864 k = 0.5189 0.1890 0.0209 ( 3020 PWs) bands (ev): -48.1687 -48.1687 -21.8741 -21.8741 -21.3028 -21.3028 -20.1649 -20.1649 -20.0127 -20.0127 -19.9362 -19.9362 -5.6535 -5.6535 -3.1703 -3.1703 -2.5436 -2.5436 -2.5041 -2.5041 -1.9523 -1.9523 -1.9075 -1.9075 6.5530 6.5530 8.3287 8.3287 11.8041 11.8041 16.8439 16.8439 k = 0.5158 0.1879 0.0365 ( 3020 PWs) bands (ev): -48.1687 -48.1687 -21.8754 -21.8754 -21.3007 -21.3007 -20.1659 -20.1659 -20.0140 -20.0140 -19.9353 -19.9353 -5.6529 -5.6529 -3.1715 -3.1715 -2.5401 -2.5401 -2.5016 -2.5016 -1.9480 -1.9480 -1.9046 -1.9046 6.5378 6.5378 8.3073 8.3073 11.8070 11.8070 16.9976 16.9976 k = 0.5126 0.1867 0.0521 ( 3026 PWs) bands (ev): -48.1688 -48.1688 -21.8765 -21.8765 -21.2989 -21.2989 -20.1667 -20.1667 -20.0151 -20.0151 -19.9347 -19.9347 -5.6524 -5.6524 -3.1725 -3.1725 -2.5374 -2.5374 -2.4995 -2.4995 -1.9446 -1.9446 -1.9019 -1.9019 6.5253 6.5253 8.2896 8.2896 11.8092 11.8092 17.1465 17.1465 k = 0.5095 0.1856 0.0677 ( 3028 PWs) bands (ev): -48.1688 -48.1688 -21.8773 -21.8773 -21.2975 -21.2975 -20.1674 -20.1674 -20.0160 -20.0160 -19.9341 -19.9341 -5.6520 -5.6520 -3.1733 -3.1733 -2.5353 -2.5353 -2.4977 -2.4977 -1.9421 -1.9421 -1.8997 -1.8997 6.5156 6.5156 8.2759 8.2759 11.8110 11.8110 17.2892 17.2892 k = 0.5063 0.1844 0.0833 ( 3032 PWs) bands (ev): -48.1688 -48.1688 -21.8779 -21.8779 -21.2965 -21.2965 -20.1679 -20.1679 -20.0166 -20.0166 -19.9337 -19.9337 -5.6518 -5.6518 -3.1739 -3.1739 -2.5339 -2.5339 -2.4964 -2.4964 -1.9403 -1.9403 -1.8981 -1.8981 6.5087 6.5087 8.2661 8.2661 11.8122 11.8122 17.4230 17.4230 k = 0.5032 0.1833 0.0989 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8783 -21.8783 -21.2959 -21.2959 -20.1682 -20.1682 -20.0170 -20.0170 -19.9334 -19.9334 -5.6516 -5.6516 -3.1742 -3.1742 -2.5331 -2.5331 -2.4955 -2.4955 -1.9393 -1.9393 -1.8971 -1.8971 6.5045 6.5045 8.2601 8.2601 11.8129 11.8129 17.5403 17.5403 k = 0.5000 0.1821 0.1145 ( 3034 PWs) bands (ev): -48.1688 -48.1688 -21.8784 -21.8784 -21.2957 -21.2957 -20.1683 -20.1683 -20.0171 -20.0171 -19.9333 -19.9333 -5.6516 -5.6516 -3.1743 -3.1743 -2.5328 -2.5328 -2.4953 -2.4953 -1.9390 -1.9390 -1.8967 -1.8967 6.5031 6.5031 8.2582 8.2582 11.8132 11.8132 17.5975 17.5975 k = 0.5000-0.5952-0.3741 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9939 -21.9939 -21.1001 -21.1001 -20.1973 -20.1973 -20.0533 -20.0533 -19.8789 -19.8789 -5.8905 -5.8905 -3.4515 -3.4515 -2.4451 -2.4451 -2.3796 -2.3796 -2.3246 -2.3246 -2.3174 -2.3174 8.3798 8.3798 9.6532 9.6532 13.1833 13.1833 13.7501 13.7501 k = 0.5126-0.5877-0.3694 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9935 -21.9935 -21.1007 -21.1007 -20.1973 -20.1973 -20.0534 -20.0534 -19.8787 -19.8787 -5.8902 -5.8902 -3.4507 -3.4507 -2.4499 -2.4499 -2.3810 -2.3810 -2.3256 -2.3256 -2.3114 -2.3114 8.3815 8.3815 9.6534 9.6534 13.1779 13.1779 13.7055 13.7055 k = 0.5252-0.5801-0.3646 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9925 -21.9925 -21.1026 -21.1026 -20.1972 -20.1972 -20.0534 -20.0534 -19.8780 -19.8780 -5.8891 -5.8891 -3.4485 -3.4485 -2.4626 -2.4626 -2.3860 -2.3860 -2.3224 -2.3224 -2.3006 -2.3006 8.3866 8.3866 9.6542 9.6542 13.1620 13.1620 13.6145 13.6145 k = 0.5378-0.5725-0.3598 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.9908 -21.9908 -21.1057 -21.1057 -20.1970 -20.1970 -20.0533 -20.0533 -19.8767 -19.8767 -5.8875 -5.8875 -3.4447 -3.4447 -2.4805 -2.4805 -2.3946 -2.3946 -2.3143 -2.3143 -2.2884 -2.2884 8.3952 8.3952 9.6556 9.6556 13.1354 13.1354 13.5129 13.5129 k = 0.5504-0.5649-0.3550 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9885 -21.9885 -21.1101 -21.1101 -20.1969 -20.1969 -20.0533 -20.0533 -19.8751 -19.8751 -5.8852 -5.8852 -3.4395 -3.4395 -2.5018 -2.5018 -2.4053 -2.4053 -2.3038 -2.3038 -2.2757 -2.2757 8.4070 8.4070 9.6574 9.6574 13.0982 13.0982 13.4115 13.4115 k = 0.5630-0.5573-0.3503 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9855 -21.9855 -21.1156 -21.1156 -20.1965 -20.1965 -20.0532 -20.0532 -19.8730 -19.8730 -5.8822 -5.8822 -3.4328 -3.4328 -2.5253 -2.5253 -2.4169 -2.4169 -2.2924 -2.2924 -2.2630 -2.2630 8.4222 8.4222 9.6597 9.6597 13.0500 13.0500 13.3144 13.3144 k = 0.5756-0.5497-0.3455 ( 2982 PWs) bands (ev): -48.1637 -48.1637 -21.9818 -21.9818 -21.1223 -21.1223 -20.1962 -20.1962 -20.0531 -20.0531 -19.8705 -19.8705 -5.8787 -5.8787 -3.4247 -3.4247 -2.5505 -2.5505 -2.4289 -2.4289 -2.2810 -2.2810 -2.2505 -2.2505 8.4405 8.4405 9.6626 9.6626 12.9904 12.9904 13.2244 13.2244 k = 0.5882-0.5421-0.3407 ( 2984 PWs) bands (ev): -48.1637 -48.1637 -21.9775 -21.9775 -21.1301 -21.1301 -20.1958 -20.1958 -20.0531 -20.0531 -19.8676 -19.8676 -5.8745 -5.8745 -3.4151 -3.4151 -2.5770 -2.5770 -2.4411 -2.4411 -2.2703 -2.2703 -2.2383 -2.2383 8.4619 8.4619 9.6659 9.6659 12.9197 12.9197 13.1426 13.1426 k = 0.6008-0.5345-0.3360 ( 2987 PWs) bands (ev): -48.1637 -48.1637 -21.9725 -21.9725 -21.1390 -21.1390 -20.1955 -20.1955 -20.0530 -20.0530 -19.8644 -19.8644 -5.8699 -5.8699 -3.4041 -3.4041 -2.6046 -2.6046 -2.4532 -2.4532 -2.2604 -2.2604 -2.2264 -2.2264 8.4863 8.4863 9.6697 9.6697 12.8398 12.8398 13.0686 13.0686 k = 0.6134-0.5269-0.3312 ( 2991 PWs) bands (ev): -48.1637 -48.1637 -21.9670 -21.9670 -21.1489 -21.1489 -20.1951 -20.1951 -20.0530 -20.0530 -19.8608 -19.8608 -5.8647 -5.8647 -3.3918 -3.3918 -2.6330 -2.6330 -2.4652 -2.4652 -2.2518 -2.2518 -2.2147 -2.2147 8.5135 8.5135 9.6740 9.6740 12.7536 12.7536 13.0004 13.0004 k = 0.6260-0.5194-0.3264 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9608 -21.9608 -21.1597 -21.1597 -20.1946 -20.1946 -20.0529 -20.0529 -19.8569 -19.8569 -5.8590 -5.8590 -3.3780 -3.3780 -2.6620 -2.6620 -2.4769 -2.4769 -2.2445 -2.2445 -2.2032 -2.2032 8.5433 8.5433 9.6788 9.6788 12.6643 12.6643 12.9360 12.9360 k = 0.6386-0.5118-0.3217 ( 2990 PWs) bands (ev): -48.1637 -48.1637 -21.9540 -21.9540 -21.1714 -21.1714 -20.1941 -20.1941 -20.0528 -20.0528 -19.8528 -19.8528 -5.8530 -5.8530 -3.3629 -3.3629 -2.6916 -2.6916 -2.4884 -2.4884 -2.2388 -2.2388 -2.1918 -2.1918 8.5755 8.5755 9.6841 9.6841 12.5741 12.5741 12.8740 12.8740 k = 0.6512-0.5042-0.3169 ( 2986 PWs) bands (ev): -48.1637 -48.1637 -21.9466 -21.9466 -21.1840 -21.1840 -20.1936 -20.1936 -20.0527 -20.0527 -19.8485 -19.8485 -5.8465 -5.8465 -3.3466 -3.3466 -2.7215 -2.7215 -2.4996 -2.4996 -2.2348 -2.2348 -2.1804 -2.1804 8.6098 8.6098 9.6899 9.6899 12.4844 12.4844 12.8137 12.8137 k = 0.6638-0.4966-0.3121 ( 2990 PWs) bands (ev): -48.1638 -48.1638 -21.9386 -21.9386 -21.1972 -21.1972 -20.1932 -20.1932 -20.0526 -20.0526 -19.8440 -19.8440 -5.8398 -5.8398 -3.3289 -3.3289 -2.7515 -2.7515 -2.5104 -2.5104 -2.2324 -2.2324 -2.1693 -2.1693 8.6459 8.6459 9.6962 9.6962 12.3963 12.3963 12.7548 12.7548 k = 0.6764-0.4890-0.3073 ( 2993 PWs) bands (ev): -48.1638 -48.1638 -21.9301 -21.9301 -21.2112 -21.2112 -20.1927 -20.1927 -20.0525 -20.0525 -19.8395 -19.8395 -5.8328 -5.8328 -3.3101 -3.3101 -2.7816 -2.7816 -2.5210 -2.5210 -2.2317 -2.2317 -2.1583 -2.1583 8.6835 8.6835 9.7032 9.7032 12.3104 12.3104 12.6974 12.6974 k = 0.6891-0.4814-0.3026 ( 2993 PWs) bands (ev): -48.1638 -48.1638 -21.9211 -21.9211 -21.2257 -21.2257 -20.1922 -20.1922 -20.0524 -20.0524 -19.8348 -19.8348 -5.8256 -5.8256 -3.2901 -3.2901 -2.8116 -2.8116 -2.5311 -2.5311 -2.2325 -2.2325 -2.1475 -2.1475 8.7221 8.7221 9.7108 9.7108 12.2273 12.2273 12.6415 12.6415 k = 0.7017-0.4738-0.2978 ( 2989 PWs) bands (ev): -48.1638 -48.1638 -21.9116 -21.9116 -21.2408 -21.2408 -20.1917 -20.1917 -20.0523 -20.0523 -19.8301 -19.8301 -5.8182 -5.8182 -3.2690 -3.2690 -2.8413 -2.8413 -2.5408 -2.5408 -2.2350 -2.2350 -2.1370 -2.1370 8.7613 8.7613 9.7193 9.7193 12.1474 12.1474 12.5873 12.5873 k = 0.7143-0.4662-0.2930 ( 2986 PWs) bands (ev): -48.1638 -48.1638 -21.9016 -21.9016 -21.2563 -21.2563 -20.1912 -20.1912 -20.0522 -20.0522 -19.8254 -19.8254 -5.8109 -5.8109 -3.2469 -3.2469 -2.8706 -2.8706 -2.5501 -2.5501 -2.2390 -2.2390 -2.1268 -2.1268 8.8004 8.8004 9.7287 9.7287 12.0712 12.0712 12.5350 12.5350 k = 0.7269-0.4586-0.2883 ( 2982 PWs) bands (ev): -48.1638 -48.1638 -21.8911 -21.8911 -21.2722 -21.2722 -20.1908 -20.1908 -20.0520 -20.0520 -19.8207 -19.8207 -5.8036 -5.8036 -3.2237 -3.2237 -2.8993 -2.8993 -2.5590 -2.5590 -2.2444 -2.2444 -2.1170 -2.1170 8.8387 8.8387 9.7394 9.7394 11.9991 11.9991 12.4847 12.4847 k = 0.7395-0.4511-0.2835 ( 2984 PWs) bands (ev): -48.1638 -48.1638 -21.8803 -21.8803 -21.2884 -21.2884 -20.1903 -20.1903 -20.0520 -20.0520 -19.8161 -19.8161 -5.7964 -5.7964 -3.1997 -3.1997 -2.9273 -2.9273 -2.5674 -2.5674 -2.2513 -2.2513 -2.1076 -2.1076 8.8756 8.8756 9.7517 9.7517 11.9314 11.9314 12.4367 12.4367 k = 0.7521-0.4435-0.2787 ( 2988 PWs) bands (ev): -48.1638 -48.1638 -21.8692 -21.8692 -21.3048 -21.3048 -20.1900 -20.1900 -20.0519 -20.0519 -19.8117 -19.8117 -5.7894 -5.7894 -3.1750 -3.1750 -2.9544 -2.9544 -2.5754 -2.5754 -2.2595 -2.2595 -2.0986 -2.0986 8.9101 8.9101 9.7659 9.7659 11.8686 11.8686 12.3911 12.3911 k = 0.7647-0.4359-0.2740 ( 2988 PWs) bands (ev): -48.1638 -48.1638 -21.8578 -21.8578 -21.3213 -21.3213 -20.1895 -20.1895 -20.0518 -20.0518 -19.8074 -19.8074 -5.7827 -5.7827 -3.1497 -3.1497 -2.9802 -2.9802 -2.5828 -2.5828 -2.2690 -2.2690 -2.0901 -2.0901 8.9412 8.9412 9.7825 9.7825 11.8111 11.8111 12.3480 12.3480 k = 0.7773-0.4283-0.2692 ( 2989 PWs) bands (ev): -48.1638 -48.1638 -21.8461 -21.8461 -21.3378 -21.3378 -20.1892 -20.1892 -20.0517 -20.0517 -19.8032 -19.8032 -5.7763 -5.7763 -3.1243 -3.1243 -3.0044 -3.0044 -2.5898 -2.5898 -2.2797 -2.2797 -2.0820 -2.0820 8.9680 8.9680 9.8019 9.8019 11.7593 11.7593 12.3077 12.3077 k = 0.7899-0.4207-0.2644 ( 2986 PWs) bands (ev): -48.1638 -48.1638 -21.8343 -21.8343 -21.3543 -21.3543 -20.1888 -20.1888 -20.0516 -20.0516 -19.7993 -19.7993 -5.7704 -5.7704 -3.0997 -3.0997 -3.0258 -3.0258 -2.5962 -2.5962 -2.2914 -2.2914 -2.0745 -2.0745 8.9895 8.9895 9.8247 9.8247 11.7135 11.7135 12.2702 12.2702 k = 0.8025-0.4131-0.2596 ( 2989 PWs) bands (ev): -48.1638 -48.1638 -21.8225 -21.8225 -21.3704 -21.3704 -20.1884 -20.1884 -20.0515 -20.0515 -19.7957 -19.7957 -5.7650 -5.7650 -3.0819 -3.0819 -3.0387 -3.0387 -2.6022 -2.6022 -2.3042 -2.3042 -2.0676 -2.0676 9.0049 9.0049 9.8511 9.8511 11.6742 11.6742 12.2358 12.2358 Writing output data file NaHF2.save init_run : 0.09s CPU 0.23s WALL ( 1 calls) electrons : 79.64s CPU 81.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 79.64s CPU 81.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.03s WALL ( 365 calls) cegterg : 72.67s CPU 73.61s WALL ( 431 calls) Called by sum_band: Called by *egterg: h_psi : 50.78s CPU 51.94s WALL ( 6477 calls) s_psi : 0.40s CPU 0.42s WALL ( 6477 calls) g_psi : 0.04s CPU 0.08s WALL ( 5681 calls) cdiaghg : 23.77s CPU 23.52s WALL ( 6046 calls) cegterg:over : 1.55s CPU 1.63s WALL ( 5681 calls) cegterg:upda : 1.12s CPU 1.22s WALL ( 5681 calls) cegterg:last : 0.61s CPU 0.66s WALL ( 960 calls) cdiaghg:chol : 1.15s CPU 1.19s WALL ( 6046 calls) cdiaghg:inve : 0.72s CPU 0.65s WALL ( 6046 calls) cdiaghg:para : 1.30s CPU 1.33s WALL ( 12092 calls) Called by h_psi: h_psi:vloc : 49.44s CPU 50.66s WALL ( 6477 calls) h_psi:vnl : 1.28s CPU 1.23s WALL ( 6477 calls) add_vuspsi : 0.57s CPU 0.50s WALL ( 6477 calls) General routines calbec : 0.71s CPU 0.72s WALL ( 6477 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.79s CPU 47.84s WALL ( 395600 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.13s WALL ( 730 calls) Parallel routines fft_scatter : 13.12s CPU 13.39s WALL ( 395623 calls) PWSCF : 1m29.96s CPU 2m 0.42s WALL This run was terminated on: 18: 2: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=