Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 9:59 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: ./Rb2PtS2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 138 52 15 3755 863 139 Max 139 53 16 3756 881 142 Sum 4975 1881 557 135203 31513 5045 bravais-lattice index = 14 lattice parameter (alat) = 12.1147 a.u. unit-cell volume = 888.5646 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.114728 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.838808 celldm(5)= -0.346345 celldm(6)= 0.185154 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.185154 0.982710 0.000000 ) a(3) = ( -0.346345 -0.788311 0.508537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.188411 0.388995 ) b(2) = ( 0.000000 1.017595 1.577429 ) b(3) = ( 0.000000 0.000000 1.966424 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Rb 9.00 85.46780 Rb( 1.00) Pt 10.00 195.08400 Pt( 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= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( -0.0056800 0.0068502 0.0179197), wk = 0.0027933 k( 3) = ( -0.0113601 0.0137003 0.0358395), wk = 0.0027933 k( 4) = ( -0.0170401 0.0205505 0.0537592), wk = 0.0027933 k( 5) = ( -0.0227202 0.0274007 0.0716790), wk = 0.0027933 k( 6) = ( -0.0284002 0.0342508 0.0895987), wk = 0.0027933 k( 7) = ( -0.0340803 0.0411010 0.1075184), wk = 0.0027933 k( 8) = ( -0.0397603 0.0479512 0.1254381), wk = 0.0027933 k( 9) = ( -0.0454404 0.0548014 0.1433579), wk = 0.0027933 k( 10) = ( -0.0511204 0.0616515 0.1612776), wk = 0.0027933 k( 11) = ( -0.0568005 0.0685017 0.1791973), wk = 0.0027933 k( 12) = ( -0.0624805 0.0753519 0.1971171), wk = 0.0027933 k( 13) = ( -0.0681606 0.0822020 0.2150368), wk = 0.0027933 k( 14) = ( -0.0738406 0.0890522 0.2329566), wk = 0.0027933 k( 15) = ( -0.0795206 0.0959024 0.2508763), wk = 0.0027933 k( 16) = ( -0.0852007 0.1027525 0.2687960), wk = 0.0027933 k( 17) = ( -0.0908807 0.1096027 0.2867158), wk = 0.0027933 k( 18) = ( -0.0965608 0.1164529 0.3046355), wk = 0.0027933 k( 19) = ( -0.1022408 0.1233030 0.3225552), wk = 0.0027933 k( 20) = ( -0.1079209 0.1301532 0.3404750), wk = 0.0027933 k( 21) = ( -0.1136009 0.1370034 0.3583947), wk = 0.0027933 k( 22) = ( -0.1192810 0.1438536 0.3763144), wk = 0.0027933 k( 23) = ( -0.1249610 0.1507037 0.3942342), wk = 0.0027933 k( 24) = ( -0.1306411 0.1575539 0.4121539), wk = 0.0027933 k( 25) = ( -0.1363211 0.1644041 0.4300736), wk = 0.0027933 k( 26) = ( -0.1420012 0.1712542 0.4479934), wk = 0.0027933 k( 27) = ( -0.1476812 0.1781044 0.4659131), wk = 0.0027933 k( 28) = ( -0.1533613 0.1849546 0.4838329), wk = 0.0027933 k( 29) = ( -0.1590413 0.1918048 0.5017526), wk = 0.0027933 k( 30) = ( -0.1647213 0.1986549 0.5196723), wk = 0.0027933 k( 31) = ( -0.1704014 0.2055051 0.5375921), wk = 0.0027933 k( 32) = ( -0.1760814 0.2123552 0.5555118), wk = 0.0027933 k( 33) = ( -0.1817615 0.2192054 0.5734315), wk = 0.0027933 k( 34) = ( -0.1874415 0.2260556 0.5913513), wk = 0.0027933 k( 35) = ( -0.1931216 0.2329058 0.6092710), wk = 0.0027933 k( 36) = ( -0.1988016 0.2397559 0.6271907), wk = 0.0027933 k( 37) = ( -0.2044817 0.2466061 0.6451105), wk = 0.0027933 k( 38) = ( -0.2101617 0.2534563 0.6630302), wk = 0.0027933 k( 39) = ( -0.2158418 0.2603064 0.6809499), wk = 0.0027933 k( 40) = ( -0.2215218 0.2671566 0.6988697), wk = 0.0027933 k( 41) = ( -0.2272019 0.2740068 0.7167894), wk = 0.0027933 k( 42) = ( -0.2328819 0.2808570 0.7347092), wk = 0.0027933 k( 43) = ( -0.2385619 0.2877071 0.7526289), wk = 0.0027933 k( 44) = ( -0.2442420 0.2945573 0.7705486), wk = 0.0027933 k( 45) = ( -0.2499220 0.3014075 0.7884684), wk = 0.0027933 k( 46) = ( -0.2556021 0.3082576 0.8063881), wk = 0.0027933 k( 47) = ( -0.2612821 0.3151078 0.8243078), wk = 0.0027933 k( 48) = ( -0.2669622 0.3219580 0.8422275), wk = 0.0027933 k( 49) = ( -0.2726422 0.3288081 0.8601473), wk = 0.0027933 k( 50) = ( -0.2783223 0.3356583 0.8780670), wk = 0.0027933 k( 51) = ( -0.2840023 0.3425085 0.8959867), wk = 0.0027933 k( 52) = ( -0.2840023 0.3425085 0.8959867), wk = 0.0027933 k( 53) = ( -0.2727907 0.3289872 0.9047093), wk = 0.0027933 k( 54) = ( -0.2615791 0.3154659 0.9134318), wk = 0.0027933 k( 55) = ( -0.2503675 0.3019447 0.9221543), wk = 0.0027933 k( 56) = ( -0.2391559 0.2884234 0.9308769), wk = 0.0027933 k( 57) = ( -0.2279443 0.2749022 0.9395994), wk = 0.0027933 k( 58) = ( -0.2167327 0.2613809 0.9483219), wk = 0.0027933 k( 59) = ( -0.2055211 0.2478596 0.9570444), wk = 0.0027933 k( 60) = ( -0.1943095 0.2343384 0.9657670), wk = 0.0027933 k( 61) = ( -0.1830979 0.2208171 0.9744895), wk = 0.0027933 k( 62) = ( -0.1718862 0.2072958 0.9832120), wk = 0.0027933 k( 63) = ( -0.1718862 0.2072958 0.9832120), wk = 0.0027933 k( 64) = ( -0.1596086 0.1924890 0.9832120), wk = 0.0027933 k( 65) = ( -0.1473311 0.1776821 0.9832120), wk = 0.0027933 k( 66) = ( -0.1350535 0.1628753 0.9832120), wk = 0.0027933 k( 67) = ( -0.1227759 0.1480685 0.9832121), wk = 0.0027933 k( 68) = ( -0.1104983 0.1332616 0.9832120), wk = 0.0027933 k( 69) = ( -0.0982207 0.1184548 0.9832120), wk = 0.0027933 k( 70) = ( -0.0859431 0.1036479 0.9832120), wk = 0.0027933 k( 71) = ( -0.0736655 0.0888411 0.9832120), wk = 0.0027933 k( 72) = ( -0.0613879 0.0740342 0.9832120), wk = 0.0027933 k( 73) = ( -0.0491104 0.0592274 0.9832121), wk = 0.0027933 k( 74) = ( -0.0368328 0.0444205 0.9832120), wk = 0.0027933 k( 75) = ( -0.0245552 0.0296137 0.9832120), wk = 0.0027933 k( 76) = ( -0.0122776 0.0148068 0.9832120), wk = 0.0027933 k( 77) = ( 0.0000000 0.0000000 0.9832120), wk = 0.0027933 k( 78) = ( 0.0000000 0.0000000 0.9832120), wk = 0.0027933 k( 79) = ( 0.0156250 0.0129560 0.9832120), wk = 0.0027933 k( 80) = ( 0.0312500 0.0259120 0.9832120), wk = 0.0027933 k( 81) = ( 0.0468750 0.0388680 0.9832120), wk = 0.0027933 k( 82) = ( 0.0625000 0.0518240 0.9832120), wk = 0.0027933 k( 83) = ( 0.0781250 0.0647799 0.9832120), wk = 0.0027933 k( 84) = ( 0.0937500 0.0777359 0.9832120), wk = 0.0027933 k( 85) = ( 0.1093750 0.0906919 0.9832120), wk = 0.0027933 k( 86) = ( 0.1250000 0.1036479 0.9832120), wk = 0.0027933 k( 87) = ( 0.1406250 0.1166039 0.9832120), wk = 0.0027933 k( 88) = ( 0.1562500 0.1295599 0.9832120), wk = 0.0027933 k( 89) = ( 0.1718750 0.1425159 0.9832120), wk = 0.0027933 k( 90) = ( 0.1875000 0.1554719 0.9832120), wk = 0.0027933 k( 91) = ( 0.2031250 0.1684279 0.9832120), wk = 0.0027933 k( 92) = ( 0.2187500 0.1813839 0.9832120), wk = 0.0027933 k( 93) = ( 0.2343750 0.1943398 0.9832120), wk = 0.0027933 k( 94) = ( 0.2500000 0.2072958 0.9832120), wk = 0.0027933 k( 95) = ( 0.2500000 0.2072958 0.9832120), wk = 0.0027933 k( 96) = ( 0.2386364 0.2210004 0.9743712), wk = 0.0027933 k( 97) = ( 0.2272727 0.2347051 0.9655304), wk = 0.0027933 k( 98) = ( 0.2159091 0.2484097 0.9566896), wk = 0.0027933 k( 99) = ( 0.2045454 0.2621143 0.9478488), wk = 0.0027933 k( 100) = ( 0.1931818 0.2758189 0.9390080), wk = 0.0027933 k( 101) = ( 0.1818182 0.2895235 0.9301672), wk = 0.0027933 k( 102) = ( 0.1704546 0.3032281 0.9213264), wk = 0.0027933 k( 103) = ( 0.1590909 0.3169327 0.9124856), wk = 0.0027933 k( 104) = ( 0.1477273 0.3306373 0.9036448), wk = 0.0027933 k( 105) = ( 0.1363636 0.3443420 0.8948040), wk = 0.0027933 k( 106) = ( 0.1250000 0.3580466 0.8859632), wk = 0.0027933 k( 107) = ( 0.1136364 0.3717512 0.8771224), wk = 0.0027933 k( 108) = ( 0.1022727 0.3854558 0.8682816), wk = 0.0027933 k( 109) = ( 0.0909091 0.3991604 0.8594408), wk = 0.0027933 k( 110) = ( 0.0795455 0.4128650 0.8506000), wk = 0.0027933 k( 111) = ( 0.0681818 0.4265696 0.8417591), wk = 0.0027933 k( 112) = ( 0.0568182 0.4402743 0.8329183), wk = 0.0027933 k( 113) = ( 0.0454546 0.4539789 0.8240775), wk = 0.0027933 k( 114) = ( 0.0340909 0.4676835 0.8152367), wk = 0.0027933 k( 115) = ( 0.0227273 0.4813881 0.8063959), wk = 0.0027933 k( 116) = ( 0.0113636 0.4950927 0.7975551), wk = 0.0027933 k( 117) = ( 0.0000000 0.5087973 0.7887143), wk = 0.0027933 k( 118) = ( 0.0000000 0.5087973 0.7887143), wk = 0.0027933 k( 119) = ( 0.0167060 0.5185790 0.7824042), wk = 0.0027933 k( 120) = ( 0.0334120 0.5283607 0.7760940), wk = 0.0027933 k( 121) = ( 0.0501181 0.5381424 0.7697839), wk = 0.0027933 k( 122) = ( 0.0668241 0.5479241 0.7634737), wk = 0.0027933 k( 123) = ( 0.0835301 0.5577058 0.7571636), wk = 0.0027933 k( 124) = ( 0.1002361 0.5674875 0.7508535), wk = 0.0027933 k( 125) = ( 0.1169421 0.5772692 0.7445433), wk = 0.0027933 k( 126) = ( 0.1336481 0.5870509 0.7382332), wk = 0.0027933 k( 127) = ( 0.1503542 0.5968326 0.7319230), wk = 0.0027933 k( 128) = ( 0.1670602 0.6066143 0.7256129), wk = 0.0027933 k( 129) = ( 0.1837662 0.6163960 0.7193027), wk = 0.0027933 k( 130) = ( 0.2004722 0.6261777 0.7129926), wk = 0.0027933 k( 131) = ( 0.2171782 0.6359594 0.7066824), wk = 0.0027933 k( 132) = ( 0.2338843 0.6457411 0.7003723), wk = 0.0027933 k( 133) = ( 0.2505903 0.6555228 0.6940621), wk = 0.0027933 k( 134) = ( 0.2672963 0.6653045 0.6877520), wk = 0.0027933 k( 135) = ( 0.2840023 0.6750862 0.6814419), wk = 0.0027933 k( 136) = ( 0.2840023 0.6750862 0.6814419), wk = 0.0027933 k( 137) = ( 0.2896865 0.6682310 0.6635092), wk = 0.0027933 k( 138) = ( 0.2953706 0.6613759 0.6455765), wk = 0.0027933 k( 139) = ( 0.3010548 0.6545208 0.6276438), wk = 0.0027933 k( 140) = ( 0.3067389 0.6476657 0.6097112), wk = 0.0027933 k( 141) = ( 0.3124231 0.6408106 0.5917785), wk = 0.0027933 k( 142) = ( 0.3181072 0.6339554 0.5738458), wk = 0.0027933 k( 143) = ( 0.3237914 0.6271003 0.5559131), wk = 0.0027933 k( 144) = ( 0.3294755 0.6202452 0.5379804), wk = 0.0027933 k( 145) = ( 0.3351597 0.6133901 0.5200477), wk = 0.0027933 k( 146) = ( 0.3408438 0.6065350 0.5021151), wk = 0.0027933 k( 147) = ( 0.3465280 0.5996798 0.4841824), wk = 0.0027933 k( 148) = ( 0.3522121 0.5928247 0.4662497), wk = 0.0027933 k( 149) = ( 0.3578963 0.5859696 0.4483170), wk = 0.0027933 k( 150) = ( 0.3635804 0.5791145 0.4303843), wk = 0.0027933 k( 151) = ( 0.3692646 0.5722594 0.4124517), wk = 0.0027933 k( 152) = ( 0.3749487 0.5654043 0.3945190), wk = 0.0027933 k( 153) = ( 0.3806329 0.5585491 0.3765863), wk = 0.0027933 k( 154) = ( 0.3863170 0.5516940 0.3586536), wk = 0.0027933 k( 155) = ( 0.3920012 0.5448389 0.3407209), wk = 0.0027933 k( 156) = ( 0.3976853 0.5379838 0.3227882), wk = 0.0027933 k( 157) = ( 0.4033695 0.5311287 0.3048556), wk = 0.0027933 k( 158) = ( 0.4090536 0.5242735 0.2869229), wk = 0.0027933 k( 159) = ( 0.4147378 0.5174184 0.2689902), wk = 0.0027933 k( 160) = ( 0.4204219 0.5105633 0.2510575), wk = 0.0027933 k( 161) = ( 0.4261061 0.5037082 0.2331249), wk = 0.0027933 k( 162) = ( 0.4317902 0.4968531 0.2151922), wk = 0.0027933 k( 163) = ( 0.4374744 0.4899980 0.1972595), wk = 0.0027933 k( 164) = ( 0.4431585 0.4831428 0.1793268), wk = 0.0027933 k( 165) = ( 0.4488427 0.4762877 0.1613941), wk = 0.0027933 k( 166) = ( 0.4545268 0.4694326 0.1434615), wk = 0.0027933 k( 167) = ( 0.4602110 0.4625775 0.1255288), wk = 0.0027933 k( 168) = ( 0.4658951 0.4557224 0.1075961), wk = 0.0027933 k( 169) = ( 0.4715793 0.4488673 0.0896634), wk = 0.0027933 k( 170) = ( 0.4772634 0.4420121 0.0717307), wk = 0.0027933 k( 171) = ( 0.4829476 0.4351570 0.0537980), wk = 0.0027933 k( 172) = ( 0.4886317 0.4283019 0.0358654), wk = 0.0027933 k( 173) = ( 0.4943159 0.4214468 0.0179327), wk = 0.0027933 k( 174) = ( 0.5000000 0.4145917 -0.0000000), wk = 0.0027933 k( 175) = ( 0.5000000 0.4145917 -0.0000000), wk = 0.0027933 k( 176) = ( 0.4843750 0.4016357 -0.0000000), wk = 0.0027933 k( 177) = ( 0.4687500 0.3886797 -0.0000000), wk = 0.0027933 k( 178) = ( 0.4531250 0.3757237 -0.0000000), wk = 0.0027933 k( 179) = ( 0.4375000 0.3627677 -0.0000000), wk = 0.0027933 k( 180) = ( 0.4218750 0.3498117 -0.0000000), wk = 0.0027933 k( 181) = ( 0.4062500 0.3368557 -0.0000000), wk = 0.0027933 k( 182) = ( 0.3906250 0.3238997 -0.0000000), wk = 0.0027933 k( 183) = ( 0.3750000 0.3109437 -0.0000000), wk = 0.0027933 k( 184) = ( 0.3593750 0.2979878 -0.0000000), wk = 0.0027933 k( 185) = ( 0.3437500 0.2850318 -0.0000000), wk = 0.0027933 k( 186) = ( 0.3281250 0.2720758 -0.0000000), wk = 0.0027933 k( 187) = ( 0.3125000 0.2591198 -0.0000000), wk = 0.0027933 k( 188) = ( 0.2968750 0.2461638 -0.0000000), wk = 0.0027933 k( 189) = ( 0.2812500 0.2332078 -0.0000000), wk = 0.0027933 k( 190) = ( 0.2656250 0.2202518 -0.0000000), wk = 0.0027933 k( 191) = ( 0.2500000 0.2072958 -0.0000000), wk = 0.0027933 k( 192) = ( 0.2343750 0.1943398 -0.0000000), wk = 0.0027933 k( 193) = ( 0.2187500 0.1813839 -0.0000000), wk = 0.0027933 k( 194) = ( 0.2031250 0.1684279 -0.0000000), wk = 0.0027933 k( 195) = ( 0.1875000 0.1554719 -0.0000000), wk = 0.0027933 k( 196) = ( 0.1718750 0.1425159 -0.0000000), wk = 0.0027933 k( 197) = ( 0.1562500 0.1295599 -0.0000000), wk = 0.0027933 k( 198) = ( 0.1406250 0.1166039 -0.0000000), wk = 0.0027933 k( 199) = ( 0.1250000 0.1036479 -0.0000000), wk = 0.0027933 k( 200) = ( 0.1093750 0.0906919 -0.0000000), wk = 0.0027933 k( 201) = ( 0.0937500 0.0777359 -0.0000000), wk = 0.0027933 k( 202) = ( 0.0781250 0.0647799 -0.0000000), wk = 0.0027933 k( 203) = ( 0.0625000 0.0518240 -0.0000000), wk = 0.0027933 k( 204) = ( 0.0468750 0.0388680 -0.0000000), wk = 0.0027933 k( 205) = ( 0.0312500 0.0259120 -0.0000000), wk = 0.0027933 k( 206) = ( 0.0156250 0.0129560 -0.0000000), wk = 0.0027933 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 209) = ( 0.0114083 -0.0137585 0.0088756), wk = 0.0027933 k( 210) = ( 0.0228167 -0.0275171 0.0177512), wk = 0.0027933 k( 211) = ( 0.0342250 -0.0412756 0.0266268), wk = 0.0027933 k( 212) = ( 0.0456334 -0.0550342 0.0355024), wk = 0.0027933 k( 213) = ( 0.0570418 -0.0687927 0.0443780), wk = 0.0027933 k( 214) = ( 0.0684501 -0.0825512 0.0532536), wk = 0.0027933 k( 215) = ( 0.0798585 -0.0963098 0.0621292), wk = 0.0027933 k( 216) = ( 0.0912668 -0.1100683 0.0710047), wk = 0.0027933 k( 217) = ( 0.1026752 -0.1238269 0.0798803), wk = 0.0027933 k( 218) = ( 0.1140835 -0.1375854 0.0887559), wk = 0.0027933 k( 219) = ( 0.1254919 -0.1513439 0.0976315), wk = 0.0027933 k( 220) = ( 0.1369002 -0.1651025 0.1065071), wk = 0.0027933 k( 221) = ( 0.1483086 -0.1788610 0.1153827), wk = 0.0027933 k( 222) = ( 0.1597169 -0.1926195 0.1242583), wk = 0.0027933 k( 223) = ( 0.1711253 -0.2063781 0.1331339), wk = 0.0027933 k( 224) = ( 0.1825336 -0.2201366 0.1420095), wk = 0.0027933 k( 225) = ( 0.1939420 -0.2338952 0.1508851), wk = 0.0027933 k( 226) = ( 0.2053503 -0.2476537 0.1597607), wk = 0.0027933 k( 227) = ( 0.2167587 -0.2614122 0.1686363), wk = 0.0027933 k( 228) = ( 0.2281670 -0.2751708 0.1775119), wk = 0.0027933 k( 229) = ( 0.2395754 -0.2889293 0.1863875), wk = 0.0027933 k( 230) = ( 0.2509837 -0.3026879 0.1952631), wk = 0.0027933 k( 231) = ( 0.2623921 -0.3164464 0.2041386), wk = 0.0027933 k( 232) = ( 0.2738004 -0.3302049 0.2130142), wk = 0.0027933 k( 233) = ( 0.2852088 -0.3439635 0.2218898), wk = 0.0027933 k( 234) = ( 0.2966171 -0.3577220 0.2307654), wk = 0.0027933 k( 235) = ( 0.3080255 -0.3714805 0.2396410), wk = 0.0027933 k( 236) = ( 0.3194338 -0.3852391 0.2485166), wk = 0.0027933 k( 237) = ( 0.3308422 -0.3989976 0.2573922), wk = 0.0027933 k( 238) = ( 0.3422505 -0.4127562 0.2662678), wk = 0.0027933 k( 239) = ( 0.3536589 -0.4265147 0.2751434), wk = 0.0027933 k( 240) = ( 0.3650672 -0.4402732 0.2840190), wk = 0.0027933 k( 241) = ( 0.3764756 -0.4540318 0.2928946), wk = 0.0027933 k( 242) = ( 0.3878839 -0.4677903 0.3017702), wk = 0.0027933 k( 243) = ( 0.3878839 -0.4677903 0.3017702), wk = 0.0027933 k( 244) = ( 0.3934897 -0.4491111 0.2964066), wk = 0.0027933 k( 245) = ( 0.3990955 -0.4304319 0.2910429), wk = 0.0027933 k( 246) = ( 0.4047013 -0.4117526 0.2856793), wk = 0.0027933 k( 247) = ( 0.4103071 -0.3930734 0.2803157), wk = 0.0027933 k( 248) = ( 0.4159130 -0.3743942 0.2749521), wk = 0.0027933 k( 249) = ( 0.4215187 -0.3557149 0.2695884), wk = 0.0027933 k( 250) = ( 0.4271245 -0.3370357 0.2642248), wk = 0.0027933 k( 251) = ( 0.4327304 -0.3183565 0.2588612), wk = 0.0027933 k( 252) = ( 0.4383362 -0.2996772 0.2534976), wk = 0.0027933 k( 253) = ( 0.4439420 -0.2809980 0.2481340), wk = 0.0027933 k( 254) = ( 0.4495478 -0.2623188 0.2427703), wk = 0.0027933 k( 255) = ( 0.4551536 -0.2436395 0.2374067), wk = 0.0027933 k( 256) = ( 0.4607594 -0.2249603 0.2320431), wk = 0.0027933 k( 257) = ( 0.4663652 -0.2062811 0.2266795), wk = 0.0027933 k( 258) = ( 0.4719710 -0.1876018 0.2213158), wk = 0.0027933 k( 259) = ( 0.4775768 -0.1689226 0.2159522), wk = 0.0027933 k( 260) = ( 0.4831826 -0.1502434 0.2105886), wk = 0.0027933 k( 261) = ( 0.4887884 -0.1315641 0.2052250), wk = 0.0027933 k( 262) = ( 0.4943942 -0.1128849 0.1998614), wk = 0.0027933 k( 263) = ( 0.5000000 -0.0942057 0.1944977), wk = 0.0027933 k( 264) = ( 0.5000000 -0.0942057 0.1944977), wk = 0.0027933 k( 265) = ( 0.4943182 -0.0873533 0.2124231), wk = 0.0027933 k( 266) = ( 0.4886364 -0.0805010 0.2303484), wk = 0.0027933 k( 267) = ( 0.4829545 -0.0736487 0.2482737), wk = 0.0027933 k( 268) = ( 0.4772727 -0.0667964 0.2661990), wk = 0.0027933 k( 269) = ( 0.4715909 -0.0599441 0.2841244), wk = 0.0027933 k( 270) = ( 0.4659091 -0.0530918 0.3020497), wk = 0.0027933 k( 271) = ( 0.4602273 -0.0462395 0.3199750), wk = 0.0027933 k( 272) = ( 0.4545455 -0.0393872 0.3379003), wk = 0.0027933 k( 273) = ( 0.4488636 -0.0325349 0.3558256), wk = 0.0027933 k( 274) = ( 0.4431818 -0.0256826 0.3737510), wk = 0.0027933 k( 275) = ( 0.4375000 -0.0188303 0.3916763), wk = 0.0027933 k( 276) = ( 0.4318182 -0.0119780 0.4096016), wk = 0.0027933 k( 277) = ( 0.4261364 -0.0051257 0.4275270), wk = 0.0027933 k( 278) = ( 0.4204545 0.0017266 0.4454523), wk = 0.0027933 k( 279) = ( 0.4147727 0.0085789 0.4633776), wk = 0.0027933 k( 280) = ( 0.4090909 0.0154312 0.4813029), wk = 0.0027933 k( 281) = ( 0.4034091 0.0222836 0.4992283), wk = 0.0027933 k( 282) = ( 0.3977273 0.0291359 0.5171536), wk = 0.0027933 k( 283) = ( 0.3920455 0.0359882 0.5350789), wk = 0.0027933 k( 284) = ( 0.3863636 0.0428405 0.5530042), wk = 0.0027933 k( 285) = ( 0.3806818 0.0496928 0.5709296), wk = 0.0027933 k( 286) = ( 0.3750000 0.0565451 0.5888549), wk = 0.0027933 k( 287) = ( 0.3693182 0.0633974 0.6067802), wk = 0.0027933 k( 288) = ( 0.3636364 0.0702497 0.6247055), wk = 0.0027933 k( 289) = ( 0.3579545 0.0771020 0.6426308), wk = 0.0027933 k( 290) = ( 0.3522727 0.0839543 0.6605562), wk = 0.0027933 k( 291) = ( 0.3465909 0.0908066 0.6784815), wk = 0.0027933 k( 292) = ( 0.3409091 0.0976589 0.6964068), wk = 0.0027933 k( 293) = ( 0.3352273 0.1045112 0.7143322), wk = 0.0027933 k( 294) = ( 0.3295455 0.1113635 0.7322575), wk = 0.0027933 k( 295) = ( 0.3238636 0.1182158 0.7501828), wk = 0.0027933 k( 296) = ( 0.3181818 0.1250682 0.7681081), wk = 0.0027933 k( 297) = ( 0.3125000 0.1319205 0.7860335), wk = 0.0027933 k( 298) = ( 0.3068182 0.1387728 0.8039588), wk = 0.0027933 k( 299) = ( 0.3011364 0.1456251 0.8218841), wk = 0.0027933 k( 300) = ( 0.2954545 0.1524774 0.8398094), wk = 0.0027933 k( 301) = ( 0.2897727 0.1593297 0.8577348), wk = 0.0027933 k( 302) = ( 0.2840909 0.1661820 0.8756601), wk = 0.0027933 k( 303) = ( 0.2784091 0.1730343 0.8935854), wk = 0.0027933 k( 304) = ( 0.2727273 0.1798866 0.9115108), wk = 0.0027933 k( 305) = ( 0.2670455 0.1867389 0.9294361), wk = 0.0027933 k( 306) = ( 0.2613636 0.1935912 0.9473614), wk = 0.0027933 k( 307) = ( 0.2556818 0.2004435 0.9652867), wk = 0.0027933 k( 308) = ( 0.2500000 0.2072958 0.9832120), wk = 0.0027933 k( 309) = ( 0.1718862 -0.2072958 0.9832121), wk = 0.0027933 k( 310) = ( 0.1775704 -0.2141509 0.9652794), wk = 0.0027933 k( 311) = ( 0.1832545 -0.2210061 0.9473467), wk = 0.0027933 k( 312) = ( 0.1889387 -0.2278612 0.9294140), wk = 0.0027933 k( 313) = ( 0.1946228 -0.2347163 0.9114813), wk = 0.0027933 k( 314) = ( 0.2003070 -0.2415714 0.8935486), wk = 0.0027933 k( 315) = ( 0.2059911 -0.2484265 0.8756160), wk = 0.0027933 k( 316) = ( 0.2116753 -0.2552817 0.8576833), wk = 0.0027933 k( 317) = ( 0.2173594 -0.2621368 0.8397506), wk = 0.0027933 k( 318) = ( 0.2230436 -0.2689919 0.8218179), wk = 0.0027933 k( 319) = ( 0.2287277 -0.2758470 0.8038852), wk = 0.0027933 k( 320) = ( 0.2344119 -0.2827021 0.7859526), wk = 0.0027933 k( 321) = ( 0.2400960 -0.2895572 0.7680199), wk = 0.0027933 k( 322) = ( 0.2457802 -0.2964124 0.7500872), wk = 0.0027933 k( 323) = ( 0.2514643 -0.3032675 0.7321545), wk = 0.0027933 k( 324) = ( 0.2571485 -0.3101226 0.7142218), wk = 0.0027933 k( 325) = ( 0.2628326 -0.3169777 0.6962891), wk = 0.0027933 k( 326) = ( 0.2685168 -0.3238328 0.6783565), wk = 0.0027933 k( 327) = ( 0.2742009 -0.3306880 0.6604238), wk = 0.0027933 k( 328) = ( 0.2798851 -0.3375431 0.6424911), wk = 0.0027933 k( 329) = ( 0.2855692 -0.3443982 0.6245584), wk = 0.0027933 k( 330) = ( 0.2912534 -0.3512533 0.6066257), wk = 0.0027933 k( 331) = ( 0.2969375 -0.3581084 0.5886931), wk = 0.0027933 k( 332) = ( 0.3026217 -0.3649636 0.5707604), wk = 0.0027933 k( 333) = ( 0.3083058 -0.3718187 0.5528277), wk = 0.0027933 k( 334) = ( 0.3139900 -0.3786738 0.5348950), wk = 0.0027933 k( 335) = ( 0.3196741 -0.3855289 0.5169624), wk = 0.0027933 k( 336) = ( 0.3253583 -0.3923840 0.4990297), wk = 0.0027933 k( 337) = ( 0.3310424 -0.3992391 0.4810970), wk = 0.0027933 k( 338) = ( 0.3367266 -0.4060943 0.4631643), wk = 0.0027933 k( 339) = ( 0.3424107 -0.4129494 0.4452316), wk = 0.0027933 k( 340) = ( 0.3480949 -0.4198045 0.4272990), wk = 0.0027933 k( 341) = ( 0.3537790 -0.4266596 0.4093663), wk = 0.0027933 k( 342) = ( 0.3594632 -0.4335147 0.3914336), wk = 0.0027933 k( 343) = ( 0.3651473 -0.4403698 0.3735009), wk = 0.0027933 k( 344) = ( 0.3708315 -0.4472250 0.3555682), wk = 0.0027933 k( 345) = ( 0.3765156 -0.4540801 0.3376355), wk = 0.0027933 k( 346) = ( 0.3821998 -0.4609352 0.3197029), wk = 0.0027933 k( 347) = ( 0.3878839 -0.4677903 0.3017702), wk = 0.0027933 k( 348) = ( 0.6121161 0.2793790 0.0872253), wk = 0.0027933 k( 349) = ( 0.6009045 0.2929003 0.0785028), wk = 0.0027933 k( 350) = ( 0.5896929 0.3064215 0.0697802), wk = 0.0027933 k( 351) = ( 0.5784812 0.3199428 0.0610577), wk = 0.0027933 k( 352) = ( 0.5672696 0.3334641 0.0523352), wk = 0.0027933 k( 353) = ( 0.5560580 0.3469853 0.0436126), wk = 0.0027933 k( 354) = ( 0.5448464 0.3605066 0.0348901), wk = 0.0027933 k( 355) = ( 0.5336348 0.3740279 0.0261676), wk = 0.0027933 k( 356) = ( 0.5224232 0.3875491 0.0174451), wk = 0.0027933 k( 357) = ( 0.5112116 0.4010704 0.0087225), wk = 0.0027933 k( 358) = ( 0.5000000 0.4145917 -0.0000000), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( -0.0056800 0.0056800 0.0056801), wk = 0.0027933 k( 3) = ( -0.0113601 0.0113601 0.0113601), wk = 0.0027933 k( 4) = ( -0.0170401 0.0170401 0.0170401), wk = 0.0027933 k( 5) = ( -0.0227202 0.0227202 0.0227202), wk = 0.0027933 k( 6) = ( -0.0284002 0.0284002 0.0284002), wk = 0.0027933 k( 7) = ( -0.0340803 0.0340803 0.0340803), wk = 0.0027933 k( 8) = ( -0.0397603 0.0397603 0.0397603), wk = 0.0027933 k( 9) = ( -0.0454404 0.0454404 0.0454404), wk = 0.0027933 k( 10) = ( -0.0511204 0.0511204 0.0511204), wk = 0.0027933 k( 11) = ( -0.0568005 0.0568005 0.0568005), wk = 0.0027933 k( 12) = ( -0.0624805 0.0624805 0.0624805), wk = 0.0027933 k( 13) = ( -0.0681606 0.0681606 0.0681606), wk = 0.0027933 k( 14) = ( -0.0738406 0.0738406 0.0738406), wk = 0.0027933 k( 15) = ( -0.0795206 0.0795206 0.0795207), wk = 0.0027933 k( 16) = ( -0.0852007 0.0852007 0.0852007), wk = 0.0027933 k( 17) = ( -0.0908807 0.0908807 0.0908807), wk = 0.0027933 k( 18) = ( -0.0965608 0.0965608 0.0965608), wk = 0.0027933 k( 19) = ( -0.1022408 0.1022408 0.1022408), wk = 0.0027933 k( 20) = ( -0.1079209 0.1079209 0.1079209), wk = 0.0027933 k( 21) = ( -0.1136009 0.1136009 0.1136009), wk = 0.0027933 k( 22) = ( -0.1192810 0.1192810 0.1192810), wk = 0.0027933 k( 23) = ( -0.1249610 0.1249610 0.1249610), wk = 0.0027933 k( 24) = ( -0.1306411 0.1306411 0.1306411), wk = 0.0027933 k( 25) = ( -0.1363211 0.1363211 0.1363211), wk = 0.0027933 k( 26) = ( -0.1420012 0.1420012 0.1420012), wk = 0.0027933 k( 27) = ( -0.1476812 0.1476812 0.1476812), wk = 0.0027933 k( 28) = ( -0.1533613 0.1533613 0.1533613), wk = 0.0027933 k( 29) = ( -0.1590413 0.1590413 0.1590413), wk = 0.0027933 k( 30) = ( -0.1647213 0.1647213 0.1647213), wk = 0.0027933 k( 31) = ( -0.1704014 0.1704014 0.1704014), wk = 0.0027933 k( 32) = ( -0.1760814 0.1760814 0.1760814), wk = 0.0027933 k( 33) = ( -0.1817615 0.1817615 0.1817615), wk = 0.0027933 k( 34) = ( -0.1874415 0.1874415 0.1874415), wk = 0.0027933 k( 35) = ( -0.1931216 0.1931216 0.1931216), wk = 0.0027933 k( 36) = ( -0.1988016 0.1988016 0.1988016), wk = 0.0027933 k( 37) = ( -0.2044817 0.2044817 0.2044817), wk = 0.0027933 k( 38) = ( -0.2101617 0.2101617 0.2101617), wk = 0.0027933 k( 39) = ( -0.2158418 0.2158418 0.2158418), wk = 0.0027933 k( 40) = ( -0.2215218 0.2215218 0.2215218), wk = 0.0027933 k( 41) = ( -0.2272019 0.2272019 0.2272019), wk = 0.0027933 k( 42) = ( -0.2328819 0.2328819 0.2328819), wk = 0.0027933 k( 43) = ( -0.2385619 0.2385619 0.2385619), wk = 0.0027933 k( 44) = ( -0.2442420 0.2442420 0.2442420), wk = 0.0027933 k( 45) = ( -0.2499220 0.2499220 0.2499220), wk = 0.0027933 k( 46) = ( -0.2556021 0.2556021 0.2556021), wk = 0.0027933 k( 47) = ( -0.2612821 0.2612821 0.2612821), wk = 0.0027933 k( 48) = ( -0.2669622 0.2669622 0.2669622), wk = 0.0027933 k( 49) = ( -0.2726422 0.2726422 0.2726422), wk = 0.0027933 k( 50) = ( -0.2783223 0.2783223 0.2783223), wk = 0.0027933 k( 51) = ( -0.2840023 0.2840023 0.2840023), wk = 0.0027933 k( 52) = ( -0.2840023 0.2840023 0.2840023), wk = 0.0027933 k( 53) = ( -0.2727907 0.2727907 0.2952139), wk = 0.0027933 k( 54) = ( -0.2615791 0.2615791 0.3064255), wk = 0.0027933 k( 55) = ( -0.2503675 0.2503675 0.3176371), wk = 0.0027933 k( 56) = ( -0.2391559 0.2391559 0.3288487), wk = 0.0027933 k( 57) = ( -0.2279443 0.2279443 0.3400604), wk = 0.0027933 k( 58) = ( -0.2167327 0.2167327 0.3512720), wk = 0.0027933 k( 59) = ( -0.2055211 0.2055211 0.3624836), wk = 0.0027933 k( 60) = ( -0.1943095 0.1943095 0.3736952), wk = 0.0027933 k( 61) = ( -0.1830979 0.1830979 0.3849068), wk = 0.0027933 k( 62) = ( -0.1718862 0.1718862 0.3961184), wk = 0.0027933 k( 63) = ( -0.1718862 0.1718862 0.3961184), wk = 0.0027933 k( 64) = ( -0.1596086 0.1596087 0.4035385), wk = 0.0027933 k( 65) = ( -0.1473311 0.1473311 0.4109586), wk = 0.0027933 k( 66) = ( -0.1350535 0.1350535 0.4183787), wk = 0.0027933 k( 67) = ( -0.1227759 0.1227759 0.4257989), wk = 0.0027933 k( 68) = ( -0.1104983 0.1104983 0.4332190), wk = 0.0027933 k( 69) = ( -0.0982207 0.0982207 0.4406391), wk = 0.0027933 k( 70) = ( -0.0859431 0.0859431 0.4480592), wk = 0.0027933 k( 71) = ( -0.0736655 0.0736655 0.4554793), wk = 0.0027933 k( 72) = ( -0.0613879 0.0613879 0.4628994), wk = 0.0027933 k( 73) = ( -0.0491104 0.0491104 0.4703195), wk = 0.0027933 k( 74) = ( -0.0368328 0.0368328 0.4777397), wk = 0.0027933 k( 75) = ( -0.0245552 0.0245552 0.4851598), wk = 0.0027933 k( 76) = ( -0.0122776 0.0122776 0.4925799), wk = 0.0027933 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 78) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 79) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0027933 k( 80) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0027933 k( 81) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0027933 k( 82) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027933 k( 83) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0027933 k( 84) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0027933 k( 85) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0027933 k( 86) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933 k( 87) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0027933 k( 88) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0027933 k( 89) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0027933 k( 90) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027933 k( 91) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0027933 k( 92) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0027933 k( 93) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0027933 k( 94) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 95) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 96) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0027933 k( 97) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0027933 k( 98) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0027933 k( 99) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0027933 k( 100) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0027933 k( 101) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0027933 k( 102) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0027933 k( 103) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0027933 k( 104) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0027933 k( 105) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0027933 k( 106) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0027933 k( 107) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0027933 k( 108) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0027933 k( 109) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0027933 k( 110) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0027933 k( 111) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0027933 k( 112) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0027933 k( 113) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0027933 k( 114) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0027933 k( 115) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0027933 k( 116) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0027933 k( 117) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 118) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 119) = ( 0.0167060 0.5127057 -0.0167060), wk = 0.0027933 k( 120) = ( 0.0334120 0.5254115 -0.0334120), wk = 0.0027933 k( 121) = ( 0.0501181 0.5381172 -0.0501181), wk = 0.0027933 k( 122) = ( 0.0668241 0.5508230 -0.0668241), wk = 0.0027933 k( 123) = ( 0.0835301 0.5635287 -0.0835301), wk = 0.0027933 k( 124) = ( 0.1002361 0.5762345 -0.1002361), wk = 0.0027933 k( 125) = ( 0.1169421 0.5889402 -0.1169421), wk = 0.0027933 k( 126) = ( 0.1336481 0.6016460 -0.1336481), wk = 0.0027933 k( 127) = ( 0.1503542 0.6143517 -0.1503542), wk = 0.0027933 k( 128) = ( 0.1670602 0.6270575 -0.1670602), wk = 0.0027933 k( 129) = ( 0.1837662 0.6397632 -0.1837662), wk = 0.0027933 k( 130) = ( 0.2004722 0.6524689 -0.2004722), wk = 0.0027933 k( 131) = ( 0.2171782 0.6651747 -0.2171782), wk = 0.0027933 k( 132) = ( 0.2338843 0.6778804 -0.2338843), wk = 0.0027933 k( 133) = ( 0.2505903 0.6905862 -0.2505903), wk = 0.0027933 k( 134) = ( 0.2672963 0.7032919 -0.2672963), wk = 0.0027933 k( 135) = ( 0.2840023 0.7159977 -0.2840023), wk = 0.0027933 k( 136) = ( 0.2840023 0.7159977 -0.2840023), wk = 0.0027933 k( 137) = ( 0.2896865 0.7103135 -0.2896865), wk = 0.0027933 k( 138) = ( 0.2953706 0.7046294 -0.2953706), wk = 0.0027933 k( 139) = ( 0.3010548 0.6989452 -0.3010548), wk = 0.0027933 k( 140) = ( 0.3067389 0.6932611 -0.3067389), wk = 0.0027933 k( 141) = ( 0.3124231 0.6875769 -0.3124231), wk = 0.0027933 k( 142) = ( 0.3181072 0.6818928 -0.3181072), wk = 0.0027933 k( 143) = ( 0.3237914 0.6762086 -0.3237914), wk = 0.0027933 k( 144) = ( 0.3294755 0.6705245 -0.3294755), wk = 0.0027933 k( 145) = ( 0.3351597 0.6648403 -0.3351597), wk = 0.0027933 k( 146) = ( 0.3408438 0.6591562 -0.3408438), wk = 0.0027933 k( 147) = ( 0.3465280 0.6534720 -0.3465280), wk = 0.0027933 k( 148) = ( 0.3522121 0.6477879 -0.3522121), wk = 0.0027933 k( 149) = ( 0.3578963 0.6421037 -0.3578963), wk = 0.0027933 k( 150) = ( 0.3635804 0.6364196 -0.3635804), wk = 0.0027933 k( 151) = ( 0.3692646 0.6307354 -0.3692646), wk = 0.0027933 k( 152) = ( 0.3749487 0.6250513 -0.3749487), wk = 0.0027933 k( 153) = ( 0.3806329 0.6193671 -0.3806329), wk = 0.0027933 k( 154) = ( 0.3863170 0.6136830 -0.3863170), wk = 0.0027933 k( 155) = ( 0.3920012 0.6079988 -0.3920012), wk = 0.0027933 k( 156) = ( 0.3976853 0.6023147 -0.3976853), wk = 0.0027933 k( 157) = ( 0.4033695 0.5966305 -0.4033695), wk = 0.0027933 k( 158) = ( 0.4090536 0.5909464 -0.4090536), wk = 0.0027933 k( 159) = ( 0.4147378 0.5852622 -0.4147378), wk = 0.0027933 k( 160) = ( 0.4204219 0.5795781 -0.4204219), wk = 0.0027933 k( 161) = ( 0.4261061 0.5738939 -0.4261061), wk = 0.0027933 k( 162) = ( 0.4317902 0.5682098 -0.4317902), wk = 0.0027933 k( 163) = ( 0.4374744 0.5625256 -0.4374744), wk = 0.0027933 k( 164) = ( 0.4431585 0.5568415 -0.4431585), wk = 0.0027933 k( 165) = ( 0.4488427 0.5511573 -0.4488426), wk = 0.0027933 k( 166) = ( 0.4545268 0.5454732 -0.4545268), wk = 0.0027933 k( 167) = ( 0.4602110 0.5397890 -0.4602109), wk = 0.0027933 k( 168) = ( 0.4658951 0.5341049 -0.4658951), wk = 0.0027933 k( 169) = ( 0.4715793 0.5284207 -0.4715793), wk = 0.0027933 k( 170) = ( 0.4772634 0.5227366 -0.4772634), wk = 0.0027933 k( 171) = ( 0.4829476 0.5170524 -0.4829476), wk = 0.0027933 k( 172) = ( 0.4886317 0.5113683 -0.4886317), wk = 0.0027933 k( 173) = ( 0.4943159 0.5056841 -0.4943159), wk = 0.0027933 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 176) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0027933 k( 177) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0027933 k( 178) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0027933 k( 179) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0027933 k( 180) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0027933 k( 181) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0027933 k( 182) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0027933 k( 183) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027933 k( 184) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0027933 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0027933 k( 186) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0027933 k( 187) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0027933 k( 188) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0027933 k( 189) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0027933 k( 190) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0027933 k( 191) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027933 k( 192) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0027933 k( 193) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0027933 k( 194) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0027933 k( 195) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0027933 k( 196) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0027933 k( 197) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0027933 k( 198) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0027933 k( 199) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027933 k( 200) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0027933 k( 201) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0027933 k( 202) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0027933 k( 203) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0027933 k( 204) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0027933 k( 205) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0027933 k( 206) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0027933 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 209) = ( 0.0114083 -0.0114083 0.0114083), wk = 0.0027933 k( 210) = ( 0.0228167 -0.0228167 0.0228167), wk = 0.0027933 k( 211) = ( 0.0342250 -0.0342250 0.0342250), wk = 0.0027933 k( 212) = ( 0.0456334 -0.0456334 0.0456334), wk = 0.0027933 k( 213) = ( 0.0570418 -0.0570418 0.0570417), wk = 0.0027933 k( 214) = ( 0.0684501 -0.0684501 0.0684501), wk = 0.0027933 k( 215) = ( 0.0798585 -0.0798585 0.0798585), wk = 0.0027933 k( 216) = ( 0.0912668 -0.0912668 0.0912668), wk = 0.0027933 k( 217) = ( 0.1026752 -0.1026752 0.1026752), wk = 0.0027933 k( 218) = ( 0.1140835 -0.1140835 0.1140835), wk = 0.0027933 k( 219) = ( 0.1254919 -0.1254919 0.1254919), wk = 0.0027933 k( 220) = ( 0.1369002 -0.1369002 0.1369002), wk = 0.0027933 k( 221) = ( 0.1483086 -0.1483086 0.1483086), wk = 0.0027933 k( 222) = ( 0.1597169 -0.1597169 0.1597169), wk = 0.0027933 k( 223) = ( 0.1711253 -0.1711253 0.1711253), wk = 0.0027933 k( 224) = ( 0.1825336 -0.1825336 0.1825336), wk = 0.0027933 k( 225) = ( 0.1939420 -0.1939420 0.1939420), wk = 0.0027933 k( 226) = ( 0.2053503 -0.2053503 0.2053503), wk = 0.0027933 k( 227) = ( 0.2167587 -0.2167587 0.2167587), wk = 0.0027933 k( 228) = ( 0.2281670 -0.2281670 0.2281670), wk = 0.0027933 k( 229) = ( 0.2395754 -0.2395754 0.2395754), wk = 0.0027933 k( 230) = ( 0.2509837 -0.2509837 0.2509837), wk = 0.0027933 k( 231) = ( 0.2623921 -0.2623921 0.2623921), wk = 0.0027933 k( 232) = ( 0.2738004 -0.2738004 0.2738004), wk = 0.0027933 k( 233) = ( 0.2852088 -0.2852088 0.2852088), wk = 0.0027933 k( 234) = ( 0.2966171 -0.2966171 0.2966171), wk = 0.0027933 k( 235) = ( 0.3080255 -0.3080255 0.3080255), wk = 0.0027933 k( 236) = ( 0.3194338 -0.3194338 0.3194338), wk = 0.0027933 k( 237) = ( 0.3308422 -0.3308422 0.3308422), wk = 0.0027933 k( 238) = ( 0.3422505 -0.3422505 0.3422505), wk = 0.0027933 k( 239) = ( 0.3536589 -0.3536589 0.3536589), wk = 0.0027933 k( 240) = ( 0.3650672 -0.3650672 0.3650672), wk = 0.0027933 k( 241) = ( 0.3764756 -0.3764756 0.3764756), wk = 0.0027933 k( 242) = ( 0.3878839 -0.3878839 0.3878839), wk = 0.0027933 k( 243) = ( 0.3878839 -0.3878839 0.3878839), wk = 0.0027933 k( 244) = ( 0.3934897 -0.3684897 0.3684897), wk = 0.0027933 k( 245) = ( 0.3990955 -0.3490955 0.3490955), wk = 0.0027933 k( 246) = ( 0.4047013 -0.3297013 0.3297013), wk = 0.0027933 k( 247) = ( 0.4103071 -0.3103071 0.3103071), wk = 0.0027933 k( 248) = ( 0.4159130 -0.2909130 0.2909130), wk = 0.0027933 k( 249) = ( 0.4215187 -0.2715187 0.2715187), wk = 0.0027933 k( 250) = ( 0.4271245 -0.2521246 0.2521246), wk = 0.0027933 k( 251) = ( 0.4327304 -0.2327304 0.2327304), wk = 0.0027933 k( 252) = ( 0.4383362 -0.2133362 0.2133362), wk = 0.0027933 k( 253) = ( 0.4439420 -0.1939420 0.1939420), wk = 0.0027933 k( 254) = ( 0.4495478 -0.1745478 0.1745478), wk = 0.0027933 k( 255) = ( 0.4551536 -0.1551536 0.1551536), wk = 0.0027933 k( 256) = ( 0.4607594 -0.1357594 0.1357594), wk = 0.0027933 k( 257) = ( 0.4663652 -0.1163652 0.1163652), wk = 0.0027933 k( 258) = ( 0.4719710 -0.0969710 0.0969710), wk = 0.0027933 k( 259) = ( 0.4775768 -0.0775768 0.0775768), wk = 0.0027933 k( 260) = ( 0.4831826 -0.0581826 0.0581826), wk = 0.0027933 k( 261) = ( 0.4887884 -0.0387884 0.0387884), wk = 0.0027933 k( 262) = ( 0.4943942 -0.0193942 0.0193942), wk = 0.0027933 k( 263) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027933 k( 264) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0027933 k( 265) = ( 0.4943182 0.0056818 0.0056818), wk = 0.0027933 k( 266) = ( 0.4886364 0.0113636 0.0113636), wk = 0.0027933 k( 267) = ( 0.4829545 0.0170454 0.0170455), wk = 0.0027933 k( 268) = ( 0.4772727 0.0227273 0.0227273), wk = 0.0027933 k( 269) = ( 0.4715909 0.0284091 0.0284091), wk = 0.0027933 k( 270) = ( 0.4659091 0.0340909 0.0340909), wk = 0.0027933 k( 271) = ( 0.4602273 0.0397727 0.0397727), wk = 0.0027933 k( 272) = ( 0.4545455 0.0454546 0.0454546), wk = 0.0027933 k( 273) = ( 0.4488636 0.0511364 0.0511364), wk = 0.0027933 k( 274) = ( 0.4431818 0.0568182 0.0568182), wk = 0.0027933 k( 275) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0027933 k( 276) = ( 0.4318182 0.0681818 0.0681818), wk = 0.0027933 k( 277) = ( 0.4261364 0.0738636 0.0738636), wk = 0.0027933 k( 278) = ( 0.4204545 0.0795455 0.0795455), wk = 0.0027933 k( 279) = ( 0.4147727 0.0852273 0.0852273), wk = 0.0027933 k( 280) = ( 0.4090909 0.0909091 0.0909091), wk = 0.0027933 k( 281) = ( 0.4034091 0.0965909 0.0965909), wk = 0.0027933 k( 282) = ( 0.3977273 0.1022727 0.1022727), wk = 0.0027933 k( 283) = ( 0.3920455 0.1079545 0.1079546), wk = 0.0027933 k( 284) = ( 0.3863636 0.1136364 0.1136364), wk = 0.0027933 k( 285) = ( 0.3806818 0.1193182 0.1193182), wk = 0.0027933 k( 286) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0027933 k( 287) = ( 0.3693182 0.1306818 0.1306818), wk = 0.0027933 k( 288) = ( 0.3636364 0.1363636 0.1363636), wk = 0.0027933 k( 289) = ( 0.3579545 0.1420454 0.1420454), wk = 0.0027933 k( 290) = ( 0.3522727 0.1477273 0.1477273), wk = 0.0027933 k( 291) = ( 0.3465909 0.1534091 0.1534091), wk = 0.0027933 k( 292) = ( 0.3409091 0.1590909 0.1590909), wk = 0.0027933 k( 293) = ( 0.3352273 0.1647727 0.1647727), wk = 0.0027933 k( 294) = ( 0.3295455 0.1704546 0.1704546), wk = 0.0027933 k( 295) = ( 0.3238636 0.1761364 0.1761364), wk = 0.0027933 k( 296) = ( 0.3181818 0.1818182 0.1818182), wk = 0.0027933 k( 297) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0027933 k( 298) = ( 0.3068182 0.1931818 0.1931818), wk = 0.0027933 k( 299) = ( 0.3011364 0.1988636 0.1988636), wk = 0.0027933 k( 300) = ( 0.2954545 0.2045454 0.2045454), wk = 0.0027933 k( 301) = ( 0.2897727 0.2102273 0.2102273), wk = 0.0027933 k( 302) = ( 0.2840909 0.2159091 0.2159091), wk = 0.0027933 k( 303) = ( 0.2784091 0.2215909 0.2215909), wk = 0.0027933 k( 304) = ( 0.2727273 0.2272727 0.2272727), wk = 0.0027933 k( 305) = ( 0.2670455 0.2329546 0.2329546), wk = 0.0027933 k( 306) = ( 0.2613636 0.2386364 0.2386364), wk = 0.0027933 k( 307) = ( 0.2556818 0.2443182 0.2443182), wk = 0.0027933 k( 308) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 309) = ( 0.1718862 -0.1718862 0.6038816), wk = 0.0027933 k( 310) = ( 0.1775704 -0.1775704 0.5981975), wk = 0.0027933 k( 311) = ( 0.1832545 -0.1832545 0.5925133), wk = 0.0027933 k( 312) = ( 0.1889387 -0.1889387 0.5868292), wk = 0.0027933 k( 313) = ( 0.1946228 -0.1946228 0.5811450), wk = 0.0027933 k( 314) = ( 0.2003070 -0.2003070 0.5754609), wk = 0.0027933 k( 315) = ( 0.2059911 -0.2059911 0.5697767), wk = 0.0027933 k( 316) = ( 0.2116753 -0.2116753 0.5640926), wk = 0.0027933 k( 317) = ( 0.2173594 -0.2173594 0.5584084), wk = 0.0027933 k( 318) = ( 0.2230436 -0.2230436 0.5527243), wk = 0.0027933 k( 319) = ( 0.2287277 -0.2287277 0.5470401), wk = 0.0027933 k( 320) = ( 0.2344119 -0.2344119 0.5413560), wk = 0.0027933 k( 321) = ( 0.2400960 -0.2400960 0.5356718), wk = 0.0027933 k( 322) = ( 0.2457802 -0.2457802 0.5299877), wk = 0.0027933 k( 323) = ( 0.2514643 -0.2514643 0.5243035), wk = 0.0027933 k( 324) = ( 0.2571485 -0.2571485 0.5186194), wk = 0.0027933 k( 325) = ( 0.2628326 -0.2628326 0.5129352), wk = 0.0027933 k( 326) = ( 0.2685168 -0.2685168 0.5072511), wk = 0.0027933 k( 327) = ( 0.2742009 -0.2742009 0.5015669), wk = 0.0027933 k( 328) = ( 0.2798851 -0.2798851 0.4958828), wk = 0.0027933 k( 329) = ( 0.2855692 -0.2855692 0.4901986), wk = 0.0027933 k( 330) = ( 0.2912534 -0.2912534 0.4845145), wk = 0.0027933 k( 331) = ( 0.2969375 -0.2969375 0.4788303), wk = 0.0027933 k( 332) = ( 0.3026217 -0.3026217 0.4731462), wk = 0.0027933 k( 333) = ( 0.3083058 -0.3083058 0.4674620), wk = 0.0027933 k( 334) = ( 0.3139900 -0.3139900 0.4617779), wk = 0.0027933 k( 335) = ( 0.3196741 -0.3196741 0.4560937), wk = 0.0027933 k( 336) = ( 0.3253583 -0.3253583 0.4504096), wk = 0.0027933 k( 337) = ( 0.3310424 -0.3310424 0.4447254), wk = 0.0027933 k( 338) = ( 0.3367266 -0.3367266 0.4390413), wk = 0.0027933 k( 339) = ( 0.3424107 -0.3424107 0.4333571), wk = 0.0027933 k( 340) = ( 0.3480949 -0.3480949 0.4276730), wk = 0.0027933 k( 341) = ( 0.3537790 -0.3537790 0.4219888), wk = 0.0027933 k( 342) = ( 0.3594632 -0.3594632 0.4163047), wk = 0.0027933 k( 343) = ( 0.3651473 -0.3651473 0.4106205), wk = 0.0027933 k( 344) = ( 0.3708315 -0.3708315 0.4049364), wk = 0.0027933 k( 345) = ( 0.3765156 -0.3765156 0.3992522), wk = 0.0027933 k( 346) = ( 0.3821998 -0.3821998 0.3935681), wk = 0.0027933 k( 347) = ( 0.3878839 -0.3878839 0.3878839), wk = 0.0027933 k( 348) = ( 0.6121161 0.3878839 -0.3878839), wk = 0.0027933 k( 349) = ( 0.6009045 0.3990955 -0.3990955), wk = 0.0027933 k( 350) = ( 0.5896929 0.4103071 -0.4103071), wk = 0.0027933 k( 351) = ( 0.5784812 0.4215187 -0.4215187), wk = 0.0027933 k( 352) = ( 0.5672696 0.4327304 -0.4327304), wk = 0.0027933 k( 353) = ( 0.5560580 0.4439420 -0.4439420), wk = 0.0027933 k( 354) = ( 0.5448464 0.4551536 -0.4551536), wk = 0.0027933 k( 355) = ( 0.5336348 0.4663652 -0.4663652), wk = 0.0027933 k( 356) = ( 0.5224232 0.4775768 -0.4775768), wk = 0.0027933 k( 357) = ( 0.5112116 0.4887884 -0.4887884), wk = 0.0027933 k( 358) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 Dense grid: 135203 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 31513 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48) NL pseudopotentials 0.29 Mb ( 110, 170) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.03 Mb ( 3756) G-vector shells 0.03 Mb ( 3449) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.64 Mb ( 220, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./Rb2PtS2.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.8 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 11.8 secs Computing kpt #: 12 total cpu time spent up to now is 12.4 secs Computing kpt #: 13 total cpu time spent up to now is 13.0 secs Computing kpt #: 14 total cpu time spent up to now is 13.7 secs Computing kpt #: 15 total cpu time spent up to now is 14.2 secs Computing kpt #: 16 total cpu time spent up to now is 14.8 secs Computing kpt #: 17 total cpu time spent up to now is 15.4 secs Computing kpt #: 18 total cpu time spent up to now is 16.1 secs Computing kpt #: 19 total cpu time spent up to now is 16.8 secs Computing kpt #: 20 total cpu time spent up to now is 17.5 secs Computing kpt #: 21 total cpu time spent up to now is 18.3 secs Computing kpt #: 22 total cpu time spent up to now is 19.0 secs Computing kpt #: 23 total cpu time spent up to now is 19.8 secs Computing kpt #: 24 total cpu time spent up to now is 20.5 secs Computing kpt #: 25 total cpu time spent up to now is 21.2 secs Computing kpt #: 26 total cpu time spent up to now is 21.9 secs Computing kpt #: 27 total cpu time spent up to now is 22.6 secs Computing kpt #: 28 total cpu time spent up to now is 23.2 secs Computing kpt #: 29 total cpu time spent 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Computing kpt #: 199 total cpu time spent up to now is 135.9 secs Computing kpt #: 200 total cpu time spent up to now is 136.6 secs Computing kpt #: 201 total cpu time spent up to now is 137.3 secs Computing kpt #: 202 total cpu time spent up to now is 138.0 secs Computing kpt #: 203 total cpu time spent up to now is 138.7 secs Computing kpt #: 204 total cpu time spent up to now is 139.3 secs Computing kpt #: 205 total cpu time spent up to now is 140.0 secs Computing kpt #: 206 total cpu time spent up to now is 140.6 secs Computing kpt #: 207 total cpu time spent up to now is 141.2 secs Computing kpt #: 208 total cpu time spent up to now is 141.9 secs Computing kpt #: 209 total cpu time spent up to now is 142.5 secs Computing kpt #: 210 total cpu time spent up to now is 143.1 secs Computing kpt #: 211 total cpu time spent up to now is 143.7 secs Computing kpt #: 212 total cpu time spent up to now is 144.3 secs Computing kpt #: 213 total cpu time spent up to now is 144.9 secs Computing kpt #: 214 total cpu time spent up to now is 145.5 secs Computing kpt #: 215 total cpu time spent up to now is 146.1 secs Computing kpt #: 216 total cpu time spent up to now is 146.7 secs Computing kpt #: 217 total cpu time spent up to now is 147.3 secs Computing kpt #: 218 total cpu time spent up to now is 147.9 secs Computing kpt #: 219 total cpu time spent up to now is 148.5 secs Computing kpt #: 220 total cpu time spent up to now is 149.1 secs Computing kpt #: 221 total cpu time spent up to now is 149.7 secs Computing kpt #: 222 total cpu time spent up to now is 150.3 secs Computing kpt #: 223 total cpu time spent up to now is 150.9 secs Computing kpt #: 224 total cpu time spent up to now is 151.5 secs Computing kpt #: 225 total cpu time spent up to now is 152.0 secs Computing kpt #: 226 total cpu time spent up to now is 152.6 secs Computing kpt #: 227 total cpu time spent up to now is 153.2 secs Computing kpt #: 228 total cpu time spent up to now is 153.8 secs Computing kpt #: 229 total cpu time spent up to now is 154.4 secs Computing kpt #: 230 total cpu time spent up to now is 155.0 secs Computing kpt #: 231 total cpu time spent up to now is 155.7 secs Computing kpt #: 232 total cpu time spent up to now is 156.3 secs Computing kpt #: 233 total cpu time spent up to now is 156.9 secs Computing kpt #: 234 total cpu time spent up to now is 157.6 secs Computing kpt #: 235 total cpu time spent up to now is 158.2 secs Computing kpt #: 236 total cpu time spent up to now is 158.9 secs Computing kpt #: 237 total cpu time spent up to now is 159.6 secs Computing kpt #: 238 total cpu time spent up to now is 160.3 secs Computing kpt #: 239 total cpu time spent up to now is 161.0 secs Computing kpt #: 240 total cpu time spent up to now is 161.7 secs Computing kpt #: 241 total cpu time spent up to now is 162.4 secs Computing kpt #: 242 total cpu time spent up to now is 163.1 secs Computing kpt #: 243 total cpu time spent up to now is 163.8 secs Computing kpt #: 244 total cpu 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is 183.5 secs Computing kpt #: 275 total cpu time spent up to now is 184.1 secs Computing kpt #: 276 total cpu time spent up to now is 184.8 secs Computing kpt #: 277 total cpu time spent up to now is 185.4 secs Computing kpt #: 278 total cpu time spent up to now is 186.1 secs Computing kpt #: 279 total cpu time spent up to now is 186.8 secs Computing kpt #: 280 total cpu time spent up to now is 187.5 secs Computing kpt #: 281 total cpu time spent up to now is 188.2 secs Computing kpt #: 282 total cpu time spent up to now is 189.0 secs Computing kpt #: 283 total cpu time spent up to now is 189.7 secs Computing kpt #: 284 total cpu time spent up to now is 190.4 secs Computing kpt #: 285 total cpu time spent up to now is 191.2 secs Computing kpt #: 286 total cpu time spent up to now is 191.9 secs Computing kpt #: 287 total cpu time spent up to now is 192.7 secs Computing kpt #: 288 total cpu time spent up to now is 193.4 secs Computing kpt #: 289 total cpu time spent up to now is 194.2 secs Computing kpt #: 290 total cpu time spent up to now is 195.0 secs Computing kpt #: 291 total cpu time spent up to now is 195.8 secs Computing kpt #: 292 total cpu time spent up to now is 196.5 secs Computing kpt #: 293 total cpu time spent up to now is 197.3 secs Computing kpt #: 294 total cpu time spent up to now is 198.1 secs Computing kpt #: 295 total cpu time spent up to now is 199.0 secs Computing kpt #: 296 total cpu time spent up to now is 199.7 secs Computing kpt #: 297 total cpu time spent up to now is 200.4 secs Computing kpt #: 298 total cpu time spent up to now is 201.0 secs Computing kpt #: 299 total cpu time spent up to now is 201.6 secs Computing kpt #: 300 total cpu time spent up to now is 202.2 secs Computing kpt #: 301 total cpu time spent up to now is 202.8 secs Computing kpt #: 302 total cpu time spent up to now is 203.4 secs Computing kpt #: 303 total cpu time spent up to now is 204.0 secs Computing kpt #: 304 total cpu time spent up to now is 204.6 secs Computing kpt #: 305 total cpu time spent up to now is 205.1 secs Computing kpt #: 306 total cpu time spent up to now is 205.7 secs Computing kpt #: 307 total cpu time spent up to now is 206.3 secs Computing kpt #: 308 total cpu time spent up to now is 206.9 secs Computing kpt #: 309 total cpu time spent up to now is 207.6 secs Computing kpt #: 310 total cpu time spent up to now is 208.3 secs Computing kpt #: 311 total cpu time spent up to now is 209.0 secs Computing kpt #: 312 total cpu time spent up to now is 209.5 secs Computing kpt #: 313 total cpu time spent up to now is 210.1 secs Computing kpt #: 314 total cpu time spent up to now is 211.4 secs Computing kpt #: 315 total cpu time spent up to now is 212.0 secs Computing kpt #: 316 total cpu time spent up to now is 212.6 secs Computing kpt #: 317 total cpu time spent up to now is 213.2 secs Computing kpt #: 318 total cpu time spent up to now is 213.8 secs Computing kpt #: 319 total cpu time spent up to now is 214.5 secs Computing kpt #: 320 total cpu time spent up to now is 215.2 secs Computing kpt #: 321 total cpu time spent up to now is 215.8 secs Computing kpt #: 322 total cpu time spent up to now is 216.5 secs Computing kpt #: 323 total cpu time spent up to now is 217.1 secs Computing kpt #: 324 total cpu time spent up to now is 217.7 secs Computing kpt #: 325 total cpu time spent up to now is 218.2 secs Computing kpt #: 326 total cpu time spent up to now is 218.9 secs Computing kpt #: 327 total cpu time spent up to now is 219.6 secs Computing kpt #: 328 total cpu time spent up to now is 220.3 secs Computing kpt #: 329 total cpu time spent up to now is 221.2 secs Computing kpt #: 330 total cpu time spent up to now is 222.0 secs Computing kpt #: 331 total cpu time spent up to now is 222.9 secs Computing kpt #: 332 total cpu time spent up to now is 223.8 secs Computing kpt #: 333 total cpu time spent up to now is 224.6 secs Computing kpt #: 334 total cpu time spent up to now is 225.4 secs Computing kpt #: 335 total cpu time spent up to now is 226.2 secs Computing kpt #: 336 total cpu time spent up to now is 226.9 secs Computing kpt #: 337 total cpu time spent up to now is 227.7 secs Computing kpt #: 338 total cpu time spent up to now is 228.5 secs Computing kpt #: 339 total cpu time spent up to now is 229.2 secs Computing kpt #: 340 total cpu time spent up to now is 230.0 secs Computing kpt #: 341 total cpu time spent up to now is 230.7 secs Computing kpt #: 342 total cpu time spent up to now is 231.5 secs Computing kpt #: 343 total cpu time spent up to now is 232.2 secs Computing kpt #: 344 total cpu time spent up to now is 232.9 secs Computing kpt #: 345 total cpu time spent up to now is 233.6 secs Computing kpt #: 346 total cpu time spent up to now is 234.3 secs Computing kpt #: 347 total cpu time spent up to now is 235.0 secs Computing kpt #: 348 total cpu time spent up to now is 235.7 secs Computing kpt #: 349 total cpu time spent up to now is 236.4 secs Computing kpt #: 350 total cpu time spent up to now is 237.1 secs Computing kpt #: 351 total cpu time spent up to now is 237.8 secs Computing kpt #: 352 total cpu time spent up to now is 238.6 secs Computing kpt #: 353 total cpu time spent up to now is 239.3 secs Computing kpt #: 354 total cpu time spent up to now is 240.0 secs Computing kpt #: 355 total cpu time spent up to now is 240.7 secs Computing kpt #: 356 total cpu time spent up to now is 241.6 secs Computing kpt #: 357 total cpu time spent up to now is 242.3 secs Computing kpt #: 358 total cpu time spent up to now is 243.0 secs ethr = 2.50E-08, avg # of iterations = 22.4 total cpu time spent up to now is 243.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3923 PWs) bands (ev): -19.9897 -19.9897 -19.9250 -19.9250 -6.3570 -6.3570 -5.0839 -5.0839 -4.7912 -4.7912 -4.3830 -4.3830 -4.0868 -4.0868 -3.6093 -3.6093 -3.5727 -3.5727 -3.4677 -3.4677 1.2697 1.2697 1.6726 1.6726 3.4884 3.4884 4.4189 4.4189 4.6338 4.6338 4.9440 4.9440 5.1822 5.1822 5.6168 5.6168 6.1137 6.1137 7.2434 7.2434 9.4898 9.4898 9.7188 9.7188 9.7809 9.7809 11.2648 11.2648 k =-0.0057 0.0069 0.0179 ( 3927 PWs) bands (ev): -19.9895 -19.9895 -19.9249 -19.9249 -6.3560 -6.3560 -5.0839 -5.0839 -4.7912 -4.7912 -4.3834 -4.3834 -4.0866 -4.0866 -3.6095 -3.6095 -3.5737 -3.5737 -3.4686 -3.4686 1.2711 1.2711 1.6739 1.6739 3.4888 3.4888 4.4088 4.4088 4.6405 4.6405 4.9266 4.9266 5.1907 5.1907 5.6251 5.6251 6.1137 6.1137 7.2420 7.2420 9.4937 9.4937 9.7209 9.7209 9.7740 9.7740 11.2660 11.2660 k =-0.0114 0.0137 0.0358 ( 3923 PWs) bands (ev): -19.9892 -19.9892 -19.9247 -19.9247 -6.3531 -6.3531 -5.0839 -5.0839 -4.7909 -4.7909 -4.3846 -4.3846 -4.0858 -4.0858 -3.6100 -3.6100 -3.5766 -3.5766 -3.4714 -3.4714 1.2750 1.2750 1.6778 1.6778 3.4899 3.4899 4.3824 4.3824 4.6550 4.6550 4.8829 4.8829 5.2110 5.2110 5.6485 5.6485 6.1139 6.1139 7.2377 7.2377 9.5052 9.5052 9.7248 9.7248 9.7564 9.7564 11.2698 11.2698 k =-0.0170 0.0206 0.0538 ( 3931 PWs) bands (ev): -19.9887 -19.9887 -19.9242 -19.9242 -6.3481 -6.3481 -5.0839 -5.0839 -4.7906 -4.7906 -4.3866 -4.3866 -4.0844 -4.0844 -3.6109 -3.6109 -3.5814 -3.5814 -3.4760 -3.4760 1.2816 1.2816 1.6842 1.6842 3.4917 3.4917 4.3461 4.3461 4.6622 4.6622 4.8326 4.8326 5.2363 5.2363 5.6829 5.6829 6.1141 6.1141 7.2306 7.2306 9.5235 9.5235 9.7085 9.7085 9.7521 9.7521 11.2761 11.2761 k =-0.0227 0.0274 0.0717 ( 3925 PWs) bands (ev): -19.9880 -19.9880 -19.9236 -19.9236 -6.3412 -6.3412 -5.0838 -5.0838 -4.7901 -4.7901 -4.3893 -4.3893 -4.0825 -4.0825 -3.6122 -3.6122 -3.5879 -3.5879 -3.4823 -3.4823 1.2909 1.2909 1.6931 1.6931 3.4941 3.4941 4.3045 4.3045 4.6352 4.6352 4.8053 4.8053 5.2640 5.2640 5.7237 5.7237 6.1142 6.1142 7.2206 7.2206 9.5456 9.5456 9.6697 9.6697 9.7682 9.7682 11.2848 11.2848 k =-0.0284 0.0343 0.0896 ( 3933 PWs) bands (ev): -19.9870 -19.9870 -19.9228 -19.9228 -6.3324 -6.3324 -5.0838 -5.0838 -4.7895 -4.7895 -4.3929 -4.3929 -4.0801 -4.0801 -3.6143 -3.6143 -3.5958 -3.5958 -3.4904 -3.4904 1.3027 1.3027 1.7047 1.7047 3.4969 3.4969 4.2601 4.2601 4.5654 4.5654 4.8114 4.8114 5.2942 5.2942 5.7668 5.7668 6.1143 6.1143 7.2079 7.2079 9.5549 9.5549 9.6397 9.6397 9.7916 9.7916 11.2959 11.2959 k =-0.0341 0.0411 0.1075 ( 3937 PWs) bands (ev): -19.9859 -19.9859 -19.9219 -19.9219 -6.3217 -6.3217 -5.0838 -5.0838 -4.7888 -4.7888 -4.3972 -4.3972 -4.0772 -4.0772 -3.6181 -3.6181 -3.6041 -3.6041 -3.5000 -3.5000 1.3171 1.3171 1.7187 1.7187 3.4999 3.4999 4.2145 4.2145 4.4734 4.4734 4.8315 4.8315 5.3273 5.3273 5.8091 5.8091 6.1143 6.1143 7.1925 7.1925 9.5177 9.5177 9.6562 9.6562 9.8203 9.8203 11.3093 11.3093 k =-0.0398 0.0480 0.1254 ( 3943 PWs) bands (ev): -19.9845 -19.9845 -19.9208 -19.9208 -6.3091 -6.3091 -5.0838 -5.0838 -4.7880 -4.7880 -4.4024 -4.4024 -4.0738 -4.0738 -3.6258 -3.6258 -3.6103 -3.6103 -3.5111 -3.5111 1.3340 1.3340 1.7352 1.7352 3.5028 3.5028 4.1685 4.1685 4.3713 4.3713 4.8548 4.8548 5.3636 5.3636 5.8482 5.8482 6.1142 6.1142 7.1743 7.1743 9.4561 9.4561 9.6995 9.6995 9.8537 9.8537 11.3250 11.3250 k =-0.0454 0.0548 0.1434 ( 3947 PWs) bands (ev): -19.9830 -19.9830 -19.9195 -19.9195 -6.2947 -6.2947 -5.0838 -5.0838 -4.7872 -4.7872 -4.4083 -4.4083 -4.0699 -4.0699 -3.6378 -3.6378 -3.6140 -3.6140 -3.5235 -3.5235 1.3535 1.3535 1.7543 1.7543 3.5049 3.5049 4.1230 4.1230 4.2639 4.2639 4.8780 4.8780 5.4033 5.4033 5.8821 5.8821 6.1142 6.1142 7.1536 7.1536 9.3883 9.3883 9.7531 9.7531 9.8914 9.8914 11.3427 11.3427 k =-0.0511 0.0617 0.1613 ( 3943 PWs) bands (ev): -19.9812 -19.9812 -19.9181 -19.9181 -6.2786 -6.2786 -5.0839 -5.0839 -4.7863 -4.7863 -4.4150 -4.4150 -4.0656 -4.0656 -3.6523 -3.6523 -3.6169 -3.6169 -3.5371 -3.5371 1.3754 1.3754 1.7757 1.7757 3.5055 3.5055 4.0785 4.0785 4.1539 4.1539 4.8998 4.8998 5.4461 5.4461 5.9092 5.9092 6.1149 6.1149 7.1303 7.1303 9.3192 9.3192 9.8136 9.8136 9.9328 9.9328 11.3625 11.3625 k =-0.0568 0.0685 0.1792 ( 3939 PWs) bands (ev): -19.9793 -19.9793 -19.9166 -19.9166 -6.2608 -6.2608 -5.0840 -5.0840 -4.7855 -4.7855 -4.4225 -4.4225 -4.0608 -4.0608 -3.6685 -3.6685 -3.6196 -3.6196 -3.5516 -3.5516 1.3998 1.3998 1.7996 1.7996 3.5031 3.5031 4.0348 4.0348 4.0445 4.0445 4.9201 4.9201 5.4915 5.4915 5.9280 5.9280 6.1168 6.1168 7.1046 7.1046 9.2513 9.2513 9.8793 9.8793 9.9774 9.9774 11.3841 11.3841 k =-0.0625 0.0754 0.1971 ( 3945 PWs) bands (ev): -19.9773 -19.9773 -19.9149 -19.9149 -6.2413 -6.2413 -5.0842 -5.0842 -4.7847 -4.7847 -4.4307 -4.4307 -4.0556 -4.0556 -3.6860 -3.6860 -3.6226 -3.6226 -3.5666 -3.5666 1.4265 1.4265 1.8259 1.8259 3.4950 3.4950 3.9354 3.9354 3.9959 3.9959 4.9388 4.9388 5.5389 5.5389 5.9373 5.9373 6.1205 6.1205 7.0764 7.0764 9.1866 9.1866 9.9492 9.9492 10.0250 10.0250 11.4075 11.4075 k =-0.0682 0.0822 0.2150 ( 3943 PWs) bands (ev): -19.9751 -19.9751 -19.9131 -19.9131 -6.2203 -6.2203 -5.0844 -5.0844 -4.7840 -4.7840 -4.4397 -4.4397 -4.0501 -4.0501 -3.7046 -3.7046 -3.6262 -3.6262 -3.5817 -3.5817 1.4556 1.4556 1.8544 1.8544 3.4770 3.4770 3.8345 3.8345 3.9593 3.9593 4.9559 4.9559 5.5874 5.5874 5.9369 5.9369 6.1258 6.1258 7.0460 7.0460 9.1265 9.1265 10.0215 10.0215 10.0757 10.0757 11.4326 11.4326 k =-0.0738 0.0891 0.2330 ( 3947 PWs) bands (ev): -19.9727 -19.9727 -19.9112 -19.9112 -6.1979 -6.1979 -5.0848 -5.0848 -4.7834 -4.7834 -4.4494 -4.4494 -4.0442 -4.0442 -3.7239 -3.7239 -3.6314 -3.6314 -3.5958 -3.5958 1.4869 1.4869 1.8850 1.8850 3.4418 3.4418 3.7472 3.7472 3.9274 3.9274 4.9718 4.9718 5.6357 5.6357 5.9281 5.9281 6.1318 6.1318 7.0135 7.0135 9.0722 9.0722 10.0921 10.0921 10.1319 10.1319 11.4591 11.4591 k =-0.0795 0.0959 0.2509 ( 3953 PWs) bands (ev): -19.9702 -19.9702 -19.9091 -19.9091 -6.1742 -6.1742 -5.0852 -5.0852 -4.7830 -4.7830 -4.4598 -4.4598 -4.0381 -4.0381 -3.7439 -3.7439 -3.6397 -3.6397 -3.6072 -3.6072 1.5205 1.5205 1.9177 1.9177 3.3825 3.3825 3.6799 3.6799 3.9017 3.9017 4.9865 4.9865 5.6815 5.6815 5.9133 5.9133 6.1377 6.1377 6.9789 6.9789 9.0246 9.0246 10.1534 10.1534 10.1999 10.1999 11.4869 11.4869 k =-0.0852 0.1028 0.2688 ( 3957 PWs) bands (ev): -19.9676 -19.9676 -19.9070 -19.9070 -6.1492 -6.1492 -5.0858 -5.0858 -4.7829 -4.7829 -4.4708 -4.4708 -4.0318 -4.0318 -3.7642 -3.7642 -3.6522 -3.6522 -3.6147 -3.6147 1.5563 1.5563 1.9523 1.9523 3.2997 3.2997 3.6314 3.6314 3.8833 3.8833 5.0002 5.0002 5.7197 5.7197 5.8975 5.8975 6.1427 6.1427 6.9423 6.9423 8.9845 8.9845 10.2053 10.2053 10.2778 10.2778 11.5158 11.5158 k =-0.0909 0.1096 0.2867 ( 3957 PWs) bands (ev): -19.9648 -19.9648 -19.9048 -19.9048 -6.1231 -6.1231 -5.0865 -5.0865 -4.7830 -4.7830 -4.4823 -4.4823 -4.0253 -4.0253 -3.7847 -3.7847 -3.6677 -3.6677 -3.6191 -3.6191 1.5942 1.5942 1.9884 1.9884 3.2018 3.2018 3.5936 3.5936 3.8727 3.8727 5.0129 5.0129 5.7390 5.7390 5.8914 5.8914 6.1470 6.1470 6.9040 6.9040 8.9524 8.9524 10.2520 10.2520 10.3599 10.3599 11.5455 11.5455 k =-0.0966 0.1165 0.3046 ( 3965 PWs) bands (ev): -19.9620 -19.9620 -19.9025 -19.9025 -6.0960 -6.0960 -5.0874 -5.0874 -4.7834 -4.7834 -4.4944 -4.4944 -4.0188 -4.0188 -3.8050 -3.8050 -3.6847 -3.6847 -3.6220 -3.6220 1.6342 1.6342 2.0256 2.0256 3.0968 3.0968 3.5595 3.5595 3.8698 3.8698 5.0249 5.0249 5.7279 5.7279 5.9050 5.9050 6.1517 6.1517 6.8642 6.8642 8.9285 8.9285 10.2941 10.2941 10.4436 10.4436 11.5755 11.5755 k =-0.1022 0.1233 0.3226 ( 3961 PWs) bands (ev): -19.9590 -19.9590 -19.9002 -19.9002 -6.0681 -6.0681 -5.0884 -5.0884 -4.7841 -4.7841 -4.5068 -4.5068 -4.0124 -4.0124 -3.8249 -3.8249 -3.7022 -3.7022 -3.6240 -3.6240 1.6763 1.6763 2.0631 2.0631 2.9899 2.9899 3.5259 3.5259 3.8736 3.8736 5.0360 5.0360 5.6921 5.6921 5.9300 5.9300 6.1594 6.1594 6.8229 6.8229 8.9131 8.9131 10.3310 10.3310 10.5278 10.5278 11.6051 11.6051 k =-0.1079 0.1302 0.3405 ( 3959 PWs) bands (ev): -19.9560 -19.9560 -19.8979 -19.8979 -6.0395 -6.0395 -5.0896 -5.0896 -4.7853 -4.7853 -4.5196 -4.5196 -4.0064 -4.0064 -3.8440 -3.8440 -3.7198 -3.7198 -3.6255 -3.6255 1.7203 1.7203 2.0998 2.0998 2.8848 2.8848 3.4918 3.4918 3.8831 3.8831 5.0464 5.0464 5.6420 5.6420 5.9518 5.9518 6.1741 6.1741 6.7804 6.7804 8.9058 8.9058 10.3618 10.3618 10.6116 10.6116 11.6331 11.6331 k =-0.1136 0.1370 0.3584 ( 3945 PWs) bands (ev): -19.9530 -19.9530 -19.8955 -19.8955 -6.0104 -6.0104 -5.0910 -5.0910 -4.7869 -4.7869 -4.5325 -4.5325 -4.0012 -4.0012 -3.8617 -3.8617 -3.7373 -3.7373 -3.6265 -3.6265 1.7664 1.7664 2.1333 2.1333 2.7850 2.7850 3.4573 3.4573 3.8970 3.8970 5.0560 5.0560 5.5826 5.5826 5.9619 5.9619 6.1991 6.1991 6.7372 6.7372 8.9066 8.9066 10.3853 10.3853 10.6944 10.6944 11.6573 11.6573 k =-0.1193 0.1439 0.3763 ( 3943 PWs) bands (ev): -19.9499 -19.9499 -19.8930 -19.8930 -5.9809 -5.9809 -5.0926 -5.0926 -4.7889 -4.7889 -4.5456 -4.5456 -3.9972 -3.9972 -3.8775 -3.8775 -3.7544 -3.7544 -3.6273 -3.6273 1.8143 1.8143 2.1594 2.1594 2.6958 2.6958 3.4226 3.4226 3.9146 3.9146 5.0649 5.0649 5.5163 5.5163 5.9581 5.9581 6.2342 6.2342 6.6939 6.6939 8.9148 8.9148 10.4008 10.4008 10.7756 10.7756 11.6734 11.6734 k =-0.1250 0.1507 0.3942 ( 3947 PWs) bands (ev): -19.9467 -19.9467 -19.8906 -19.8906 -5.9514 -5.9514 -5.0944 -5.0944 -4.7915 -4.7915 -4.5586 -4.5586 -3.9952 -3.9952 -3.8903 -3.8903 -3.7710 -3.7710 -3.6278 -3.6278 1.8641 1.8641 2.1706 2.1706 2.6253 2.6253 3.3881 3.3881 3.9351 3.9351 5.0730 5.0730 5.4445 5.4445 5.9426 5.9426 6.2754 6.2754 6.6516 6.6516 8.9301 8.9301 10.4076 10.4076 10.8545 10.8545 11.6742 11.6742 k =-0.1306 0.1576 0.4122 ( 3933 PWs) bands (ev): -19.9436 -19.9436 -19.8882 -19.8882 -5.9218 -5.9218 -5.0964 -5.0964 -4.7946 -4.7946 -4.5714 -4.5714 -3.9961 -3.9961 -3.8993 -3.8993 -3.7869 -3.7869 -3.6280 -3.6280 1.9158 1.9158 2.1567 2.1567 2.5840 2.5840 3.3540 3.3540 3.9580 3.9580 5.0801 5.0801 5.3682 5.3682 5.9179 5.9179 6.3172 6.3172 6.6128 6.6128 8.9517 8.9517 10.4051 10.4051 10.9305 10.9305 11.6513 11.6513 k =-0.1363 0.1644 0.4301 ( 3939 PWs) bands (ev): -19.9404 -19.9404 -19.8858 -19.8858 -5.8926 -5.8926 -5.0986 -5.0986 -4.7982 -4.7982 -4.5838 -4.5838 -4.0004 -4.0004 -3.9038 -3.9038 -3.8022 -3.8022 -3.6281 -3.6281 1.9692 1.9692 2.1132 2.1132 2.5769 2.5769 3.3207 3.3207 3.9829 3.9829 5.0862 5.0862 5.2882 5.2882 5.8862 5.8862 6.3519 6.3519 6.5830 6.5830 8.9790 8.9790 10.3934 10.3934 11.0028 11.0028 11.6046 11.6046 k =-0.1420 0.1713 0.4480 ( 3935 PWs) bands (ev): -19.9373 -19.9373 -19.8835 -19.8835 -5.8637 -5.8637 -5.1011 -5.1011 -4.8023 -4.8023 -4.5958 -4.5958 -4.0078 -4.0078 -3.9041 -3.9041 -3.8167 -3.8167 -3.6279 -3.6279 2.0240 2.0240 2.0470 2.0470 2.5975 2.5975 3.2883 3.2883 4.0095 4.0095 5.0906 5.0906 5.2058 5.2058 5.8489 5.8489 6.3671 6.3671 6.5734 6.5734 9.0113 9.0113 10.3725 10.3725 11.0702 11.0702 11.5437 11.5437 k =-0.1477 0.1781 0.4659 ( 3947 PWs) bands (ev): -19.9342 -19.9342 -19.8811 -19.8811 -5.8356 -5.8356 -5.1038 -5.1038 -4.8069 -4.8069 -4.6072 -4.6072 -4.0172 -4.0172 -3.9012 -3.9012 -3.8303 -3.8303 -3.6276 -3.6276 1.9673 1.9673 2.0815 2.0815 2.6356 2.6356 3.2570 3.2570 4.0374 4.0374 5.0869 5.0869 5.1280 5.1280 5.8069 5.8069 6.3542 6.3542 6.5918 6.5918 9.0477 9.0477 10.3430 10.3430 11.1303 11.1303 11.4796 11.4796 k =-0.1534 0.1850 0.4838 ( 3943 PWs) bands (ev): -19.9311 -19.9311 -19.8789 -19.8789 -5.8084 -5.8084 -5.1067 -5.1067 -4.8120 -4.8120 -4.6178 -4.6178 -4.0275 -4.0275 -3.8962 -3.8962 -3.8430 -3.8430 -3.6271 -3.6271 1.8830 1.8830 2.1400 2.1400 2.6842 2.6842 3.2270 3.2270 4.0664 4.0664 5.0241 5.0241 5.1060 5.1060 5.7610 5.7610 6.3207 6.3207 6.6304 6.6304 9.0876 9.0876 10.3056 10.3056 11.1774 11.1774 11.4232 11.4232 k =-0.1590 0.1918 0.5018 ( 3961 PWs) bands (ev): -19.9281 -19.9281 -19.8767 -19.8767 -5.7823 -5.7823 -5.1099 -5.1099 -4.8176 -4.8176 -4.6275 -4.6275 -4.0379 -4.0379 -3.8900 -3.8900 -3.8547 -3.8547 -3.6264 -3.6264 1.7974 1.7974 2.2002 2.2002 2.7392 2.7392 3.1984 3.1984 4.0961 4.0961 4.9371 4.9371 5.1058 5.1058 5.7119 5.7119 6.2767 6.2767 6.6785 6.6785 9.1301 9.1301 10.2613 10.2613 11.1970 11.1970 11.3917 11.3917 k =-0.1647 0.1987 0.5197 ( 3957 PWs) bands (ev): -19.9252 -19.9252 -19.8746 -19.8746 -5.7575 -5.7575 -5.1133 -5.1133 -4.8234 -4.8234 -4.6362 -4.6362 -4.0479 -4.0479 -3.8836 -3.8836 -3.8646 -3.8646 -3.6257 -3.6257 1.7129 1.7129 2.2619 2.2619 2.7984 2.7984 3.1714 3.1714 4.1262 4.1262 4.8478 4.8478 5.1054 5.1054 5.6606 5.6606 6.2277 6.2277 6.7305 6.7305 9.1745 9.1745 10.2110 10.2110 11.1760 11.1760 11.3997 11.3997 k =-0.1704 0.2055 0.5376 ( 3953 PWs) bands (ev): -19.9224 -19.9224 -19.8727 -19.8727 -5.7342 -5.7342 -5.1169 -5.1169 -4.8296 -4.8296 -4.6439 -4.6439 -4.0572 -4.0572 -3.8816 -3.8816 -3.8686 -3.8686 -3.6249 -3.6249 1.6309 1.6309 2.3250 2.3250 2.8602 2.8602 3.1463 3.1463 4.1560 4.1560 4.7583 4.7583 5.1032 5.1032 5.6078 5.6078 6.1761 6.1761 6.7838 6.7838 9.2201 9.2201 10.1559 10.1559 11.1299 11.1299 11.4323 11.4323 k =-0.1761 0.2124 0.5555 ( 3947 PWs) bands (ev): -19.9196 -19.9196 -19.8708 -19.8708 -5.7125 -5.7125 -5.1208 -5.1208 -4.8359 -4.8359 -4.6504 -4.6504 -4.0655 -4.0655 -3.8880 -3.8880 -3.8629 -3.8629 -3.6240 -3.6240 1.5523 1.5523 2.3895 2.3895 2.9234 2.9234 3.1237 3.1237 4.1844 4.1844 4.6702 4.6702 5.0984 5.0984 5.5549 5.5549 6.1230 6.1230 6.8371 6.8371 9.2660 9.2660 10.0970 10.0970 11.0768 11.0768 11.4720 11.4720 k =-0.1818 0.2192 0.5734 ( 3945 PWs) bands (ev): -19.9170 -19.9170 -19.8690 -19.8690 -5.6927 -5.6927 -5.1250 -5.1250 -4.8424 -4.8424 -4.6559 -4.6559 -4.0728 -4.0728 -3.8957 -3.8957 -3.8547 -3.8547 -3.6230 -3.6230 1.4778 1.4778 2.4551 2.4551 2.9857 2.9857 3.1054 3.1054 4.2095 4.2095 4.5858 4.5858 5.0900 5.0900 5.5033 5.5033 6.0692 6.0692 6.8896 6.8896 9.3116 9.3116 10.0354 10.0354 11.0237 11.0237 11.5124 11.5124 k =-0.1874 0.2261 0.5914 ( 3957 PWs) bands (ev): -19.9145 -19.9145 -19.8674 -19.8674 -5.6747 -5.6747 -5.1294 -5.1294 -4.8488 -4.8488 -4.6603 -4.6603 -4.0790 -4.0790 -3.9029 -3.9029 -3.8459 -3.8459 -3.6220 -3.6220 1.4079 1.4079 2.5215 2.5215 3.0363 3.0363 3.1015 3.1015 4.2263 4.2263 4.5099 4.5099 5.0767 5.0767 5.4547 5.4547 6.0151 6.0151 6.9405 6.9405 9.3561 9.3561 9.9723 9.9723 10.9730 10.9730 11.5512 11.5512 k =-0.1931 0.2329 0.6093 ( 3965 PWs) bands (ev): -19.9121 -19.9121 -19.8660 -19.8660 -5.6588 -5.6588 -5.1340 -5.1340 -4.8550 -4.8550 -4.6638 -4.6638 -4.0841 -4.0841 -3.9094 -3.9094 -3.8368 -3.8368 -3.6210 -3.6210 1.3430 1.3430 2.5883 2.5883 3.0465 3.0465 3.1408 3.1408 4.2240 4.2240 4.4536 4.4536 5.0571 5.0571 5.4112 5.4112 5.9613 5.9613 6.9893 6.9893 9.3989 9.3989 9.9088 9.9088 10.9257 10.9257 11.5878 11.5878 k =-0.1988 0.2398 0.6272 ( 3965 PWs) bands (ev): -19.9099 -19.9099 -19.8646 -19.8646 -5.6449 -5.6449 -5.1388 -5.1388 -4.8610 -4.8610 -4.6663 -4.6663 -4.0881 -4.0881 -3.9150 -3.9150 -3.8275 -3.8275 -3.6200 -3.6200 1.2835 1.2835 2.6546 2.6546 3.0383 3.0383 3.2012 3.2012 4.1893 4.1893 4.4303 4.4303 5.0304 5.0304 5.3747 5.3747 5.9081 5.9081 7.0355 7.0355 9.4392 9.4392 9.8459 9.8459 10.8824 10.8824 11.6221 11.6221 k =-0.2045 0.2466 0.6451 ( 3963 PWs) bands (ev): -19.9078 -19.9078 -19.8635 -19.8635 -5.6331 -5.6331 -5.1438 -5.1438 -4.8666 -4.8666 -4.6681 -4.6681 -4.0910 -4.0910 -3.9198 -3.9198 -3.8182 -3.8182 -3.6191 -3.6191 1.2296 1.2296 2.7189 2.7189 3.0313 3.0313 3.2636 3.2636 4.1265 4.1265 4.4356 4.4356 4.9964 4.9964 5.3462 5.3462 5.8560 5.8560 7.0784 7.0784 9.4763 9.4763 9.7846 9.7846 10.8430 10.8430 11.6540 11.6540 k =-0.2102 0.2535 0.6630 ( 3959 PWs) bands (ev): -19.9059 -19.9059 -19.8625 -19.8625 -5.6233 -5.6233 -5.1490 -5.1490 -4.8718 -4.8718 -4.6693 -4.6693 -4.0928 -4.0928 -3.9237 -3.9237 -3.8088 -3.8088 -3.6181 -3.6181 1.1818 1.1818 2.7780 2.7780 3.0311 3.0311 3.3243 3.3243 4.0507 4.0507 4.4546 4.4546 4.9564 4.9564 5.3254 5.3254 5.8054 5.8054 7.1174 7.1174 9.5097 9.5097 9.7260 9.7260 10.8077 10.8077 11.6839 11.6839 k =-0.2158 0.2603 0.6809 ( 3955 PWs) bands (ev): -19.9042 -19.9042 -19.8617 -19.8617 -5.6156 -5.6156 -5.1544 -5.1544 -4.8763 -4.8763 -4.6701 -4.6701 -4.0937 -4.0937 -3.9269 -3.9269 -3.7994 -3.7994 -3.6172 -3.6172 1.1401 1.1401 2.8264 2.8264 3.0437 3.0437 3.3811 3.3811 3.9707 3.9707 4.4785 4.4785 4.9131 4.9131 5.3112 5.3112 5.7568 5.7568 7.1520 7.1520 9.5388 9.5388 9.6713 9.6713 10.7764 10.7764 11.7120 11.7120 k =-0.2215 0.2672 0.6989 ( 3959 PWs) bands (ev): -19.9026 -19.9026 -19.8611 -19.8611 -5.6099 -5.6099 -5.1599 -5.1599 -4.8801 -4.8801 -4.6705 -4.6705 -4.0936 -4.0936 -3.9293 -3.9293 -3.7900 -3.7900 -3.6164 -3.6164 1.1049 1.1049 2.8579 2.8579 3.0752 3.0752 3.4314 3.4314 3.8911 3.8911 4.5035 4.5035 4.8694 4.8694 5.3022 5.3022 5.7110 5.7110 7.1814 7.1814 9.5628 9.5628 9.6216 9.6216 10.7491 10.7491 11.7385 11.7385 k =-0.2272 0.2740 0.7168 ( 3961 PWs) bands (ev): -19.9013 -19.9013 -19.8606 -19.8606 -5.6062 -5.6062 -5.1657 -5.1657 -4.8830 -4.8830 -4.6707 -4.6707 -4.0926 -4.0926 -3.9309 -3.9309 -3.7807 -3.7807 -3.6157 -3.6157 1.0763 1.0763 2.8729 2.8729 3.1250 3.1250 3.4716 3.4716 3.8156 3.8156 4.5273 4.5273 4.8286 4.8286 5.2972 5.2972 5.6685 5.6685 7.2050 7.2050 9.5723 9.5723 9.5870 9.5870 10.7255 10.7255 11.7637 11.7637 k =-0.2329 0.2809 0.7347 ( 3957 PWs) bands (ev): -19.9001 -19.9001 -19.8604 -19.8604 -5.6045 -5.6045 -5.1715 -5.1715 -4.8851 -4.8851 -4.6708 -4.6708 -4.0907 -4.0907 -3.9317 -3.9317 -3.7714 -3.7714 -3.6150 -3.6150 1.0545 1.0545 2.8771 2.8771 3.1863 3.1863 3.4953 3.4953 3.7503 3.7503 4.5485 4.5485 4.7939 4.7939 5.2950 5.2950 5.6303 5.6303 7.2223 7.2223 9.5379 9.5379 9.5971 9.5971 10.7055 10.7055 11.7873 11.7873 k =-0.2386 0.2877 0.7526 ( 3953 PWs) bands (ev): -19.8991 -19.8991 -19.8603 -19.8603 -5.6047 -5.6047 -5.1776 -5.1776 -4.8863 -4.8863 -4.6708 -4.6708 -4.0882 -4.0882 -3.9319 -3.9319 -3.7623 -3.7623 -3.6145 -3.6145 1.0395 1.0395 2.8760 2.8760 3.2522 3.2522 3.4923 3.4923 3.7051 3.7051 4.5656 4.5656 4.7686 4.7686 5.2948 5.2948 5.5974 5.5974 7.2326 7.2326 9.5079 9.5079 9.6046 9.6046 10.6891 10.6891 11.7927 11.7927 k =-0.2442 0.2946 0.7705 ( 3963 PWs) bands (ev): -19.8984 -19.8984 -19.8605 -19.8605 -5.6068 -5.6068 -5.1837 -5.1837 -4.8864 -4.8864 -4.6707 -4.6707 -4.0849 -4.0849 -3.9313 -3.9313 -3.7534 -3.7534 -3.6140 -3.6140 1.0315 1.0315 2.8724 2.8724 3.3160 3.3160 3.4588 3.4588 3.6861 3.6861 4.5774 4.5774 4.7553 4.7553 5.2955 5.2955 5.5711 5.5711 7.2354 7.2354 9.4858 9.4858 9.6061 9.6061 10.6760 10.6760 11.7436 11.7436 k =-0.2499 0.3014 0.7885 ( 3955 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.6108 -5.6108 -5.1900 -5.1900 -4.8854 -4.8854 -4.6704 -4.6704 -4.0809 -4.0809 -3.9301 -3.9301 -3.7446 -3.7446 -3.6136 -3.6136 1.0305 1.0305 2.8674 2.8674 3.3570 3.3570 3.4206 3.4206 3.6859 3.6859 4.5833 4.5833 4.7556 4.7556 5.2962 5.2962 5.5527 5.5527 7.2307 7.2307 9.4723 9.4723 9.6015 9.6015 10.6661 10.6661 11.6934 11.6934 k =-0.2556 0.3083 0.8064 ( 3951 PWs) bands (ev): -19.8974 -19.8974 -19.8614 -19.8614 -5.6167 -5.6167 -5.1965 -5.1965 -4.8834 -4.8834 -4.6700 -4.6700 -4.0764 -4.0764 -3.9282 -3.9282 -3.7361 -3.7361 -3.6133 -3.6133 1.0365 1.0365 2.8613 2.8613 3.3175 3.3175 3.4389 3.4389 3.7004 3.7004 4.5834 4.5834 4.7692 4.7692 5.2959 5.2959 5.5437 5.5437 7.2182 7.2182 9.4675 9.4675 9.5907 9.5907 10.6594 10.6594 11.6460 11.6460 k =-0.2613 0.3151 0.8243 ( 3951 PWs) bands (ev): -19.8973 -19.8973 -19.8621 -19.8621 -5.6245 -5.6245 -5.2030 -5.2030 -4.8801 -4.8801 -4.6692 -4.6692 -4.0713 -4.0713 -3.9258 -3.9258 -3.7279 -3.7279 -3.6130 -3.6130 1.0495 1.0495 2.8537 2.8537 3.2528 3.2528 3.4541 3.4541 3.7350 3.7350 4.5783 4.5783 4.7946 4.7946 5.2939 5.2939 5.5447 5.5447 7.1981 7.1981 9.4716 9.4716 9.5738 9.5738 10.6558 10.6558 11.6020 11.6020 k =-0.2670 0.3220 0.8422 ( 3951 PWs) bands (ev): -19.8973 -19.8973 -19.8630 -19.8630 -5.6343 -5.6343 -5.2097 -5.2097 -4.8757 -4.8757 -4.6680 -4.6680 -4.0657 -4.0657 -3.9227 -3.9227 -3.7201 -3.7201 -3.6129 -3.6129 1.0693 1.0693 2.8436 2.8436 3.1878 3.1878 3.4429 3.4429 3.7908 3.7908 4.5683 4.5683 4.8301 4.8301 5.2901 5.2901 5.5557 5.5557 7.1707 7.1707 9.4843 9.4843 9.5510 9.5510 10.6552 10.6552 11.5617 11.5617 k =-0.2726 0.3288 0.8601 ( 3943 PWs) bands (ev): -19.8976 -19.8976 -19.8641 -19.8641 -5.6461 -5.6461 -5.2166 -5.2166 -4.8702 -4.8702 -4.6662 -4.6662 -4.0595 -4.0595 -3.9191 -3.9191 -3.7126 -3.7126 -3.6128 -3.6128 1.0960 1.0960 2.8290 2.8290 3.1276 3.1276 3.4106 3.4106 3.8611 3.8611 4.5539 4.5539 4.8738 4.8738 5.2852 5.2852 5.5758 5.5758 7.1365 7.1365 9.5042 9.5042 9.5238 9.5238 10.6578 10.6578 11.5253 11.5253 k =-0.2783 0.3357 0.8781 ( 3939 PWs) bands (ev): -19.8980 -19.8980 -19.8654 -19.8654 -5.6599 -5.6599 -5.2235 -5.2235 -4.8634 -4.8634 -4.6638 -4.6638 -4.0528 -4.0528 -3.9150 -3.9150 -3.7056 -3.7056 -3.6128 -3.6128 1.1293 1.1293 2.8068 2.8068 3.0764 3.0764 3.3646 3.3646 3.9389 3.9389 4.5359 4.5359 4.9235 4.9235 5.2800 5.2800 5.6036 5.6036 7.0961 7.0961 9.4873 9.4873 9.5359 9.5359 10.6633 10.6633 11.4929 11.4929 k =-0.2840 0.3425 0.8960 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6758 -5.6758 -5.2305 -5.2305 -4.8555 -4.8555 -4.6605 -4.6605 -4.0455 -4.0455 -3.9104 -3.9104 -3.6991 -3.6991 -3.6129 -3.6129 1.1691 1.1691 2.7740 2.7740 3.0374 3.0374 3.3099 3.3099 4.0198 4.0198 4.5156 4.5156 4.9771 4.9771 5.2755 5.2755 5.6378 5.6378 7.0502 7.0502 9.4490 9.4490 9.5720 9.5720 10.6720 10.6720 11.4645 11.4645 k =-0.2840 0.3425 0.8960 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6758 -5.6758 -5.2305 -5.2305 -4.8555 -4.8555 -4.6605 -4.6605 -4.0455 -4.0455 -3.9104 -3.9104 -3.6991 -3.6991 -3.6129 -3.6129 1.1691 1.1691 2.7740 2.7740 3.0374 3.0374 3.3099 3.3099 4.0198 4.0198 4.5156 4.5156 4.9771 4.9771 5.2755 5.2755 5.6378 5.6378 7.0502 7.0502 9.4490 9.4490 9.5720 9.5720 10.6720 10.6720 11.4645 11.4645 k =-0.2728 0.3290 0.9047 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6754 -5.6754 -5.2313 -5.2313 -4.8552 -4.8552 -4.6604 -4.6604 -4.0455 -4.0455 -3.9104 -3.9104 -3.6991 -3.6991 -3.6129 -3.6129 1.1693 1.1693 2.7738 2.7738 3.0370 3.0370 3.3109 3.3109 4.0193 4.0193 4.5155 4.5155 4.9771 4.9771 5.2761 5.2761 5.6382 5.6382 7.0498 7.0498 9.4452 9.4452 9.5734 9.5734 10.6712 10.6712 11.4672 11.4672 k =-0.2616 0.3155 0.9134 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6740 -5.6740 -5.2339 -5.2339 -4.8543 -4.8543 -4.6599 -4.6599 -4.0453 -4.0453 -3.9107 -3.9107 -3.6994 -3.6994 -3.6130 -3.6130 1.1698 1.1698 2.7731 2.7731 3.0356 3.0356 3.3137 3.3137 4.0179 4.0179 4.5150 4.5150 4.9772 4.9772 5.2778 5.2778 5.6391 5.6391 7.0484 7.0484 9.4339 9.4339 9.5778 9.5778 10.6688 10.6688 11.4753 11.4753 k =-0.2504 0.3019 0.9222 ( 3956 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6717 -5.6717 -5.2381 -5.2381 -4.8528 -4.8528 -4.6591 -4.6591 -4.0450 -4.0450 -3.9110 -3.9110 -3.6998 -3.6998 -3.6131 -3.6131 1.1706 1.1706 2.7719 2.7719 3.0333 3.0333 3.3182 3.3182 4.0155 4.0155 4.5142 4.5142 4.9773 4.9773 5.2806 5.2806 5.6408 5.6408 7.0461 7.0461 9.4157 9.4157 9.5851 9.5851 10.6652 10.6652 11.4885 11.4885 k =-0.2392 0.2884 0.9309 ( 3955 PWs) bands (ev): -19.8988 -19.8988 -19.8668 -19.8668 -5.6685 -5.6685 -5.2438 -5.2438 -4.8510 -4.8510 -4.6581 -4.6581 -4.0445 -4.0445 -3.9115 -3.9115 -3.7004 -3.7004 -3.6132 -3.6132 1.1717 1.1717 2.7702 2.7702 3.0304 3.0304 3.3244 3.3244 4.0121 4.0121 4.5131 4.5131 4.9775 4.9775 5.2844 5.2844 5.6431 5.6431 7.0430 7.0430 9.3914 9.3914 9.5953 9.5953 10.6607 10.6607 11.5063 11.5063 k =-0.2279 0.2749 0.9396 ( 3961 PWs) bands (ev): -19.8988 -19.8988 -19.8668 -19.8668 -5.6645 -5.6645 -5.2510 -5.2510 -4.8487 -4.8487 -4.6567 -4.6567 -4.0440 -4.0440 -3.9121 -3.9121 -3.7012 -3.7012 -3.6134 -3.6134 1.1730 1.1730 2.7682 2.7682 3.0269 3.0269 3.3320 3.3320 4.0079 4.0079 4.5118 4.5118 4.9776 4.9776 5.2891 5.2891 5.6462 5.6462 7.0390 7.0390 9.3618 9.3618 9.6081 9.6081 10.6558 10.6558 11.5281 11.5281 k =-0.2167 0.2614 0.9483 ( 3955 PWs) bands (ev): -19.8989 -19.8989 -19.8667 -19.8667 -5.6595 -5.6595 -5.2594 -5.2594 -4.8462 -4.8462 -4.6551 -4.6551 -4.0433 -4.0433 -3.9129 -3.9129 -3.7021 -3.7021 -3.6135 -3.6135 1.1746 1.1746 2.7659 2.7659 3.0229 3.0229 3.3408 3.3408 4.0028 4.0028 4.5102 4.5102 4.9778 4.9778 5.2946 5.2946 5.6500 5.6500 7.0342 7.0342 9.3280 9.3280 9.6235 9.6235 10.6512 10.6512 11.5530 11.5530 k =-0.2055 0.2479 0.9570 ( 3947 PWs) bands (ev): -19.8990 -19.8990 -19.8666 -19.8666 -5.6537 -5.6537 -5.2690 -5.2690 -4.8436 -4.8436 -4.6532 -4.6532 -4.0426 -4.0426 -3.9138 -3.9138 -3.7032 -3.7032 -3.6138 -3.6138 1.1765 1.1765 2.7634 2.7634 3.0187 3.0187 3.3505 3.3505 3.9969 3.9969 4.5084 4.5084 4.9780 4.9780 5.3008 5.3008 5.6545 5.6545 7.0288 7.0288 9.2913 9.2913 9.6413 9.6413 10.6475 10.6475 11.5803 11.5803 k =-0.1943 0.2343 0.9658 ( 3947 PWs) bands (ev): -19.8991 -19.8991 -19.8665 -19.8665 -5.6470 -5.6470 -5.2795 -5.2795 -4.8410 -4.8410 -4.6512 -4.6512 -4.0418 -4.0418 -3.9148 -3.9148 -3.7045 -3.7045 -3.6140 -3.6140 1.1785 1.1785 2.7607 2.7607 3.0143 3.0143 3.3609 3.3609 3.9903 3.9903 4.5064 4.5064 4.9782 4.9782 5.3075 5.3075 5.6598 5.6598 7.0228 7.0228 9.2525 9.2525 9.6612 9.6612 10.6451 10.6451 11.6090 11.6090 k =-0.1831 0.2208 0.9745 ( 3952 PWs) bands (ev): -19.8992 -19.8992 -19.8664 -19.8664 -5.6394 -5.6394 -5.2908 -5.2908 -4.8384 -4.8384 -4.6489 -4.6489 -4.0410 -4.0410 -3.9158 -3.9158 -3.7060 -3.7060 -3.6142 -3.6142 1.1807 1.1807 2.7579 2.7579 3.0099 3.0099 3.3719 3.3719 3.9829 3.9829 4.5042 4.5042 4.9784 4.9784 5.3145 5.3145 5.6659 5.6659 7.0163 7.0163 9.2128 9.2128 9.6831 9.6831 10.6447 10.6447 11.6380 11.6380 k =-0.1719 0.2073 0.9832 ( 3946 PWs) bands (ev): -19.8993 -19.8993 -19.8663 -19.8663 -5.6310 -5.6310 -5.3028 -5.3028 -4.8360 -4.8360 -4.6465 -4.6465 -4.0402 -4.0402 -3.9170 -3.9170 -3.7076 -3.7076 -3.6145 -3.6145 1.1830 1.1830 2.7551 2.7551 3.0056 3.0056 3.3832 3.3832 3.9750 3.9750 4.5019 4.5019 4.9785 4.9785 5.3217 5.3217 5.6727 5.6727 7.0094 7.0094 9.1729 9.1729 9.7064 9.7064 10.6468 10.6468 11.6662 11.6662 k =-0.1719 0.2073 0.9832 ( 3946 PWs) bands (ev): -19.8993 -19.8993 -19.8663 -19.8663 -5.6310 -5.6310 -5.3028 -5.3028 -4.8360 -4.8360 -4.6465 -4.6465 -4.0402 -4.0402 -3.9170 -3.9170 -3.7076 -3.7076 -3.6145 -3.6145 1.1830 1.1830 2.7551 2.7551 3.0056 3.0056 3.3832 3.3832 3.9750 3.9750 4.5019 4.5019 4.9785 4.9785 5.3217 5.3217 5.6727 5.6727 7.0094 7.0094 9.1729 9.1729 9.7064 9.7064 10.6468 10.6468 11.6662 11.6662 k =-0.1596 0.1925 0.9832 ( 3941 PWs) bands (ev): -19.8991 -19.8991 -19.8656 -19.8656 -5.6168 -5.6168 -5.3110 -5.3110 -4.8369 -4.8369 -4.6462 -4.6462 -4.0421 -4.0421 -3.9203 -3.9203 -3.7109 -3.7109 -3.6148 -3.6148 1.1680 1.1680 2.7693 2.7693 3.0141 3.0141 3.4190 3.4190 3.9332 3.9332 4.5091 4.5091 4.9542 4.9542 5.3322 5.3322 5.6610 5.6610 7.0192 7.0192 9.1523 9.1523 9.7139 9.7139 10.6542 10.6542 11.6930 11.6930 k =-0.1473 0.1777 0.9832 ( 3947 PWs) bands (ev): -19.8989 -19.8989 -19.8649 -19.8649 -5.6027 -5.6027 -5.3195 -5.3195 -4.8377 -4.8377 -4.6458 -4.6458 -4.0438 -4.0438 -3.9236 -3.9236 -3.7141 -3.7141 -3.6152 -3.6152 1.1544 1.1544 2.7815 2.7815 3.0247 3.0247 3.4540 3.4540 3.8916 3.8916 4.5159 4.5159 4.9299 4.9299 5.3438 5.3438 5.6497 5.6497 7.0270 7.0270 9.1315 9.1315 9.7236 9.7236 10.6661 10.6661 11.7143 11.7143 k =-0.1351 0.1629 0.9832 ( 3951 PWs) bands (ev): -19.8987 -19.8987 -19.8643 -19.8643 -5.5888 -5.5888 -5.3283 -5.3283 -4.8383 -4.8383 -4.6453 -4.6453 -4.0453 -4.0453 -3.9268 -3.9268 -3.7172 -3.7172 -3.6156 -3.6156 1.1421 1.1421 2.7918 2.7918 3.0376 3.0376 3.4875 3.4875 3.8507 3.8507 4.5223 4.5223 4.9058 4.9058 5.3562 5.3562 5.6388 5.6388 7.0329 7.0329 9.1109 9.1109 9.7353 9.7353 10.6828 10.6828 11.7277 11.7277 k =-0.1228 0.1481 0.9832 ( 3946 PWs) bands (ev): -19.8985 -19.8985 -19.8637 -19.8637 -5.5751 -5.5751 -5.3371 -5.3371 -4.8389 -4.8389 -4.6448 -4.6448 -4.0466 -4.0466 -3.9299 -3.9299 -3.7201 -3.7201 -3.6160 -3.6160 1.1310 1.1310 2.8002 2.8002 3.0527 3.0527 3.5188 3.5188 3.8112 3.8112 4.5281 4.5281 4.8823 4.8823 5.3693 5.3693 5.6282 5.6282 7.0371 7.0371 9.0911 9.0911 9.7485 9.7485 10.7041 10.7041 11.7307 11.7307 k =-0.1105 0.1333 0.9832 ( 3944 PWs) bands (ev): -19.8983 -19.8983 -19.8632 -19.8632 -5.5618 -5.5618 -5.3460 -5.3460 -4.8393 -4.8393 -4.6443 -4.6443 -4.0476 -4.0476 -3.9330 -3.9330 -3.7229 -3.7229 -3.6165 -3.6165 1.1213 1.1213 2.8069 2.8069 3.0699 3.0699 3.5466 3.5466 3.7743 3.7743 4.5334 4.5334 4.8594 4.8594 5.3830 5.3830 5.6178 5.6178 7.0398 7.0398 9.0724 9.0724 9.7628 9.7628 10.7302 10.7302 11.7212 11.7212 k =-0.0982 0.1185 0.9832 ( 3940 PWs) bands (ev): -19.8982 -19.8982 -19.8627 -19.8627 -5.5488 -5.5488 -5.3549 -5.3549 -4.8397 -4.8397 -4.6438 -4.6438 -4.0484 -4.0484 -3.9359 -3.9359 -3.7254 -3.7254 -3.6169 -3.6169 1.1127 1.1127 2.8121 2.8121 3.0891 3.0891 3.5685 3.5685 3.7422 3.7422 4.5379 4.5379 4.8376 4.8376 5.3971 5.3971 5.6076 5.6076 7.0413 7.0413 9.0550 9.0550 9.7777 9.7777 10.7610 10.7610 11.6980 11.6980 k =-0.0859 0.1036 0.9832 ( 3943 PWs) bands (ev): -19.8981 -19.8981 -19.8623 -19.8623 -5.5364 -5.5364 -5.3636 -5.3636 -4.8400 -4.8400 -4.6434 -4.6434 -4.0491 -4.0491 -3.9386 -3.9386 -3.7276 -3.7276 -3.6173 -3.6173 1.1053 1.1053 2.8161 2.8161 3.1098 3.1098 3.5802 3.5802 3.7193 3.7193 4.5418 4.5418 4.8171 4.8171 5.4114 5.4114 5.5974 5.5974 7.0418 7.0418 9.0392 9.0392 9.7925 9.7925 10.7962 10.7962 11.6618 11.6618 k =-0.0737 0.0888 0.9832 ( 3945 PWs) bands (ev): -19.8980 -19.8980 -19.8619 -19.8619 -5.5246 -5.5246 -5.3723 -5.3723 -4.8403 -4.8403 -4.6430 -4.6430 -4.0496 -4.0496 -3.9411 -3.9411 -3.7296 -3.7296 -3.6177 -3.6177 1.0991 1.0991 2.8191 2.8191 3.1318 3.1318 3.5763 3.5763 3.7108 3.7108 4.5451 4.5451 4.7983 4.7983 5.4258 5.4258 5.5873 5.5873 7.0415 7.0415 9.0251 9.0251 9.8069 9.8069 10.8357 10.8357 11.6147 11.6147 k =-0.0614 0.0740 0.9832 ( 3943 PWs) bands (ev): -19.8979 -19.8979 -19.8616 -19.8616 -5.5135 -5.5135 -5.3806 -5.3806 -4.8405 -4.8405 -4.6427 -4.6427 -4.0499 -4.0499 -3.9433 -3.9433 -3.7313 -3.7313 -3.6180 -3.6180 1.0938 1.0938 2.8212 2.8212 3.1543 3.1543 3.5584 3.5584 3.7153 3.7153 4.5477 4.5477 4.7815 4.7815 5.4399 5.4399 5.5772 5.5772 7.0408 7.0408 9.0130 9.0130 9.8201 9.8201 10.8789 10.8789 11.5598 11.5598 k =-0.0491 0.0592 0.9832 ( 3942 PWs) bands (ev): -19.8979 -19.8979 -19.8613 -19.8613 -5.5033 -5.5033 -5.3884 -5.3884 -4.8406 -4.8406 -4.6424 -4.6424 -4.0501 -4.0501 -3.9452 -3.9452 -3.7327 -3.7327 -3.6183 -3.6183 1.0897 1.0897 2.8228 2.8228 3.1768 3.1768 3.5339 3.5339 3.7256 3.7256 4.5496 4.5496 4.7672 4.7672 5.4536 5.4536 5.5671 5.5671 7.0398 7.0398 9.0030 9.0030 9.8318 9.8318 10.9250 10.9250 11.5006 11.5006 k =-0.0368 0.0444 0.9832 ( 3950 PWs) bands (ev): -19.8978 -19.8978 -19.8611 -19.8611 -5.4944 -5.4944 -5.3956 -5.3956 -4.8407 -4.8407 -4.6422 -4.6422 -4.0503 -4.0503 -3.9468 -3.9468 -3.7339 -3.7339 -3.6186 -3.6186 1.0864 1.0864 2.8238 2.8238 3.1981 3.1981 3.5087 3.5087 3.7365 3.7365 4.5511 4.5511 4.7556 4.7556 5.4666 5.4666 5.5573 5.5573 7.0388 7.0388 8.9951 8.9951 9.8414 9.8414 10.9725 10.9725 11.4407 11.4407 k =-0.0246 0.0296 0.9832 ( 3950 PWs) bands (ev): -19.8978 -19.8978 -19.8609 -19.8609 -5.4871 -5.4871 -5.4015 -5.4015 -4.8408 -4.8408 -4.6421 -4.6421 -4.0504 -4.0504 -3.9479 -3.9479 -3.7347 -3.7347 -3.6188 -3.6188 1.0842 1.0842 2.8245 2.8245 3.2163 3.2163 3.4867 3.4867 3.7455 3.7455 4.5520 4.5520 4.7472 4.7472 5.4781 5.4781 5.5480 5.5480 7.0380 7.0380 8.9894 8.9894 9.8486 9.8486 11.0182 11.0182 11.3851 11.3851 k =-0.0123 0.0148 0.9832 ( 3946 PWs) bands (ev): -19.8978 -19.8978 -19.8609 -19.8609 -5.4823 -5.4823 -5.4055 -5.4055 -4.8408 -4.8408 -4.6420 -4.6420 -4.0504 -4.0504 -3.9486 -3.9486 -3.7351 -3.7351 -3.6189 -3.6189 1.0828 1.0828 2.8249 2.8249 3.2292 3.2292 3.4714 3.4714 3.7513 3.7513 4.5526 4.5526 4.7420 4.7420 5.4869 5.4869 5.5406 5.5406 7.0374 7.0374 8.9859 8.9859 9.8530 9.8530 11.0553 11.0553 11.3416 11.3416 k = 0.0000 0.0000 0.9832 ( 3948 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4806 -5.4806 -5.4070 -5.4070 -4.8408 -4.8408 -4.6420 -4.6420 -4.0505 -4.0505 -3.9488 -3.9488 -3.7353 -3.7353 -3.6189 -3.6189 1.0823 1.0823 2.8250 2.8250 3.2339 3.2339 3.4658 3.4658 3.7533 3.7533 4.5527 4.5527 4.7402 4.7402 5.4905 5.4905 5.5375 5.5375 7.0372 7.0372 8.9848 8.9848 9.8545 9.8545 11.0707 11.0707 11.3240 11.3240 k = 0.0000 0.0000 0.9832 ( 3948 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4806 -5.4806 -5.4070 -5.4070 -4.8408 -4.8408 -4.6420 -4.6420 -4.0505 -4.0505 -3.9488 -3.9488 -3.7353 -3.7353 -3.6189 -3.6189 1.0823 1.0823 2.8250 2.8250 3.2339 3.2339 3.4658 3.4658 3.7533 3.7533 4.5527 4.5527 4.7402 4.7402 5.4905 5.4905 5.5375 5.5375 7.0372 7.0372 8.9848 8.9848 9.8545 9.8545 11.0707 11.0707 11.3240 11.3240 k = 0.0156 0.0130 0.9832 ( 3946 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4807 -5.4807 -5.4066 -5.4066 -4.8414 -4.8414 -4.6417 -4.6417 -4.0515 -4.0515 -3.9484 -3.9484 -3.7358 -3.7358 -3.6177 -3.6177 1.0823 1.0823 2.8245 2.8245 3.2337 3.2337 3.4663 3.4663 3.7534 3.7534 4.5527 4.5527 4.7402 4.7402 5.4901 5.4901 5.5379 5.5379 7.0372 7.0372 8.9834 8.9834 9.8561 9.8561 11.0708 11.0708 11.3203 11.3203 k = 0.0312 0.0259 0.9832 ( 3952 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4809 -5.4809 -5.4055 -5.4055 -4.8430 -4.8430 -4.6408 -4.6408 -4.0547 -4.0547 -3.9472 -3.9472 -3.7371 -3.7371 -3.6142 -3.6142 1.0823 1.0823 2.8230 2.8230 3.2332 3.2332 3.4677 3.4677 3.7536 3.7536 4.5527 4.5527 4.7403 4.7403 5.4891 5.4891 5.5390 5.5390 7.0373 7.0373 8.9794 8.9794 9.8607 9.8607 11.0712 11.0712 11.3097 11.3097 k = 0.0469 0.0389 0.9832 ( 3948 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4812 -5.4812 -5.4037 -5.4037 -4.8457 -4.8457 -4.6395 -4.6395 -4.0595 -4.0595 -3.9455 -3.9455 -3.7391 -3.7391 -3.6087 -3.6087 1.0823 1.0823 2.8205 2.8205 3.2324 3.2324 3.4700 3.4700 3.7540 3.7540 4.5526 4.5526 4.7404 4.7404 5.4876 5.4876 5.5406 5.5406 7.0373 7.0373 8.9730 8.9730 9.8681 9.8681 11.0716 11.0716 11.2938 11.2938 k = 0.0625 0.0518 0.9832 ( 3942 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4817 -5.4817 -5.4013 -5.4013 -4.8492 -4.8492 -4.6377 -4.6377 -4.0658 -4.0658 -3.9435 -3.9435 -3.7415 -3.7415 -3.6017 -3.6017 1.0822 1.0822 2.8173 2.8173 3.2315 3.2315 3.4731 3.4731 3.7545 3.7545 4.5525 4.5525 4.7405 4.7405 5.4857 5.4857 5.5426 5.5426 7.0373 7.0373 8.9645 8.9645 9.8780 9.8780 11.0722 11.0722 11.2748 11.2748 k = 0.0781 0.0648 0.9832 ( 3942 PWs) bands (ev): -19.8978 -19.8978 -19.8608 -19.8608 -5.4822 -5.4822 -5.3984 -5.3984 -4.8535 -4.8535 -4.6357 -4.6357 -4.0730 -4.0730 -3.9414 -3.9414 -3.7439 -3.7439 -3.5936 -3.5936 1.0821 1.0821 2.8133 2.8133 3.2303 3.2303 3.4767 3.4767 3.7551 3.7551 4.5524 4.5524 4.7406 4.7406 5.4835 5.4835 5.5450 5.5450 7.0373 7.0373 8.9544 8.9544 9.8898 9.8898 11.0727 11.0727 11.2544 11.2544 k = 0.0938 0.0777 0.9832 ( 3946 PWs) bands (ev): -19.8977 -19.8977 -19.8608 -19.8608 -5.4827 -5.4827 -5.3951 -5.3951 -4.8583 -4.8583 -4.6333 -4.6333 -4.0808 -4.0808 -3.9393 -3.9393 -3.7463 -3.7463 -3.5849 -3.5849 1.0820 1.0820 2.8088 2.8088 3.2291 3.2291 3.4807 3.4807 3.7558 3.7558 4.5523 4.5523 4.7408 4.7408 5.4812 5.4812 5.5474 5.5474 7.0374 7.0374 8.9431 8.9431 9.9030 9.9030 11.0729 11.0729 11.2341 11.2341 k = 0.1094 0.0907 0.9832 ( 3954 PWs) bands (ev): -19.8977 -19.8977 -19.8608 -19.8608 -5.4833 -5.4833 -5.3915 -5.3915 -4.8635 -4.8635 -4.6309 -4.6309 -4.0889 -4.0889 -3.9375 -3.9375 -3.7485 -3.7485 -3.5759 -3.5759 1.0820 1.0820 2.8039 2.8039 3.2279 3.2279 3.4849 3.4849 3.7565 3.7565 4.5522 4.5522 4.7409 4.7409 5.4789 5.4789 5.5499 5.5499 7.0374 7.0374 8.9312 8.9312 9.9169 9.9169 11.0725 11.0725 11.2151 11.2151 k = 0.1250 0.1036 0.9832 ( 3956 PWs) bands (ev): -19.8977 -19.8977 -19.8608 -19.8608 -5.4838 -5.4838 -5.3878 -5.3878 -4.8689 -4.8689 -4.6285 -4.6285 -4.0969 -4.0969 -3.9358 -3.9358 -3.7503 -3.7503 -3.5671 -3.5671 1.0819 1.0819 2.7989 2.7989 3.2267 3.2267 3.4892 3.4892 3.7573 3.7573 4.5520 4.5520 4.7411 4.7411 5.4767 5.4767 5.5524 5.5524 7.0375 7.0375 8.9192 8.9192 9.9311 9.9311 11.0715 11.0715 11.1982 11.1982 k = 0.1406 0.1166 0.9832 ( 3958 PWs) bands (ev): -19.8977 -19.8977 -19.8608 -19.8608 -5.4842 -5.4842 -5.3841 -5.3841 -4.8743 -4.8743 -4.6261 -4.6261 -4.1045 -4.1045 -3.9344 -3.9344 -3.7519 -3.7519 -3.5586 -3.5586 1.0818 1.0818 2.7939 2.7939 3.2256 3.2256 3.4933 3.4933 3.7581 3.7581 4.5519 4.5519 4.7413 4.7413 5.4746 5.4746 5.5547 5.5547 7.0375 7.0375 8.9074 8.9074 9.9451 9.9451 11.0695 11.0695 11.1841 11.1841 k = 0.1562 0.1296 0.9832 ( 3962 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4846 -5.4846 -5.3804 -5.3804 -4.8794 -4.8794 -4.6239 -4.6239 -4.1116 -4.1116 -3.9333 -3.9333 -3.7532 -3.7532 -3.5507 -3.5507 1.0817 1.0817 2.7891 2.7891 3.2246 3.2246 3.4972 3.4972 3.7589 3.7589 4.5518 4.5518 4.7415 4.7415 5.4727 5.4727 5.5568 5.5568 7.0375 7.0375 8.8964 8.8964 9.9582 9.9582 11.0665 11.0665 11.1730 11.1730 k = 0.1719 0.1425 0.9832 ( 3960 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4850 -5.4850 -5.3771 -5.3771 -4.8842 -4.8842 -4.6219 -4.6219 -4.1179 -4.1179 -3.9324 -3.9324 -3.7542 -3.7542 -3.5437 -3.5437 1.0816 1.0816 2.7848 2.7848 3.2237 3.2237 3.5007 3.5007 3.7596 3.7596 4.5516 4.5516 4.7416 4.7416 5.4710 5.4710 5.5587 5.5587 7.0376 7.0376 8.8865 8.8865 9.9700 9.9700 11.0628 11.0628 11.1648 11.1648 k = 0.1875 0.1555 0.9832 ( 3960 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4853 -5.4853 -5.3742 -5.3742 -4.8883 -4.8883 -4.6202 -4.6202 -4.1233 -4.1233 -3.9317 -3.9317 -3.7550 -3.7550 -3.5377 -3.5377 1.0815 1.0815 2.7810 2.7810 3.2230 3.2230 3.5037 3.5037 3.7603 3.7603 4.5515 4.5515 4.7418 4.7418 5.4695 5.4695 5.5603 5.5603 7.0376 7.0376 8.8780 8.8780 9.9803 9.9803 11.0587 11.0587 11.1592 11.1592 k = 0.2031 0.1684 0.9832 ( 3964 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4855 -5.4855 -5.3717 -5.3717 -4.8917 -4.8917 -4.6188 -4.6188 -4.1276 -4.1276 -3.9312 -3.9312 -3.7556 -3.7556 -3.5329 -3.5329 1.0814 1.0814 2.7779 2.7779 3.2224 3.2224 3.5061 3.5061 3.7608 3.7608 4.5514 4.5514 4.7419 4.7419 5.4684 5.4684 5.5616 5.5616 7.0376 7.0376 8.8711 8.8711 9.9886 9.9886 11.0549 11.0549 11.1555 11.1555 k = 0.2188 0.1814 0.9832 ( 3964 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4857 -5.4857 -5.3699 -5.3699 -4.8943 -4.8943 -4.6178 -4.6178 -4.1308 -4.1308 -3.9309 -3.9309 -3.7559 -3.7559 -3.5294 -3.5294 1.0814 1.0814 2.7756 2.7756 3.2220 3.2220 3.5078 3.5078 3.7612 3.7612 4.5514 4.5514 4.7420 4.7420 5.4676 5.4676 5.5625 5.5625 7.0377 7.0377 8.8661 8.8661 9.9947 9.9947 11.0517 11.0517 11.1533 11.1533 k = 0.2344 0.1943 0.9832 ( 3962 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4858 -5.4858 -5.3688 -5.3688 -4.8958 -4.8958 -4.6172 -4.6172 -4.1327 -4.1327 -3.9307 -3.9307 -3.7561 -3.7561 -3.5273 -3.5273 1.0814 1.0814 2.7741 2.7741 3.2218 3.2218 3.5089 3.5089 3.7614 3.7614 4.5513 4.5513 4.7420 4.7420 5.4671 5.4671 5.5631 5.5631 7.0377 7.0377 8.8630 8.8630 9.9984 9.9984 11.0497 11.0497 11.1522 11.1522 k = 0.2500 0.2073 0.9832 ( 3964 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4858 -5.4858 -5.3684 -5.3684 -4.8963 -4.8963 -4.6170 -4.6170 -4.1334 -4.1334 -3.9306 -3.9306 -3.7562 -3.7562 -3.5266 -3.5266 1.0814 1.0814 2.7737 2.7737 3.2217 3.2217 3.5093 3.5093 3.7615 3.7615 4.5513 4.5513 4.7420 4.7420 5.4669 5.4669 5.5633 5.5633 7.0377 7.0377 8.8619 8.8619 9.9997 9.9997 11.0490 11.0490 11.1519 11.1519 k = 0.2500 0.2073 0.9832 ( 3964 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4858 -5.4858 -5.3684 -5.3684 -4.8963 -4.8963 -4.6170 -4.6170 -4.1334 -4.1334 -3.9306 -3.9306 -3.7562 -3.7562 -3.5266 -3.5266 1.0814 1.0814 2.7737 2.7737 3.2217 3.2217 3.5093 3.5093 3.7615 3.7615 4.5513 4.5513 4.7420 4.7420 5.4669 5.4669 5.5633 5.5633 7.0377 7.0377 8.8619 8.8619 9.9997 9.9997 11.0490 11.0490 11.1519 11.1519 k = 0.2386 0.2210 0.9744 ( 3960 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4871 -5.4871 -5.3668 -5.3668 -4.8963 -4.8963 -4.6173 -4.6173 -4.1333 -4.1333 -3.9307 -3.9307 -3.7562 -3.7562 -3.5265 -3.5265 1.0811 1.0811 2.7741 2.7741 3.2221 3.2221 3.5093 3.5093 3.7609 3.7609 4.5515 4.5515 4.7421 4.7421 5.4662 5.4662 5.5629 5.5629 7.0388 7.0388 8.8639 8.8639 9.9968 9.9968 11.0506 11.0506 11.1530 11.1530 k = 0.2273 0.2347 0.9655 ( 3960 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4908 -5.4908 -5.3623 -5.3623 -4.8961 -4.8961 -4.6182 -4.6182 -4.1332 -4.1332 -3.9311 -3.9311 -3.7562 -3.7562 -3.5265 -3.5265 1.0802 1.0802 2.7753 2.7753 3.2233 3.2233 3.5092 3.5092 3.7593 3.7593 4.5520 4.5520 4.7423 4.7423 5.4640 5.4640 5.5619 5.5619 7.0420 7.0420 8.8698 8.8698 9.9881 9.9881 11.0545 11.0545 11.1573 11.1573 k = 0.2159 0.2484 0.9567 ( 3956 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4963 -5.4963 -5.3553 -5.3553 -4.8958 -4.8958 -4.6197 -4.6197 -4.1330 -4.1330 -3.9317 -3.9317 -3.7562 -3.7562 -3.5264 -3.5264 1.0789 1.0789 2.7772 2.7772 3.2253 3.2253 3.5091 3.5091 3.7566 3.7566 4.5528 4.5528 4.7426 4.7426 5.4603 5.4603 5.5604 5.5604 7.0473 7.0473 8.8796 8.8796 9.9742 9.9742 11.0580 11.0580 11.1672 11.1672 k = 0.2045 0.2621 0.9478 ( 3954 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5031 -5.5031 -5.3465 -5.3465 -4.8954 -4.8954 -4.6218 -4.6218 -4.1327 -4.1327 -3.9325 -3.9325 -3.7562 -3.7562 -3.5263 -3.5263 1.0770 1.0770 2.7799 2.7799 3.2281 3.2281 3.5088 3.5088 3.7530 3.7530 4.5538 4.5538 4.7431 4.7431 5.4550 5.4550 5.5586 5.5586 7.0544 7.0544 8.8931 8.8931 9.9558 9.9558 11.0581 11.0581 11.1848 11.1848 k = 0.1932 0.2758 0.9390 ( 3944 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5107 -5.5107 -5.3364 -5.3364 -4.8949 -4.8949 -4.6244 -4.6244 -4.1324 -4.1324 -3.9335 -3.9335 -3.7562 -3.7562 -3.5261 -3.5261 1.0747 1.0747 2.7833 2.7833 3.2317 3.2317 3.5084 3.5084 3.7485 3.7485 4.5551 4.5551 4.7437 4.7437 5.4482 5.4482 5.5565 5.5565 7.0633 7.0633 8.9102 8.9102 9.9339 9.9339 11.0534 11.0534 11.2109 11.2109 k = 0.1818 0.2895 0.9302 ( 3946 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5186 -5.5186 -5.3255 -5.3255 -4.8943 -4.8943 -4.6276 -4.6276 -4.1320 -4.1320 -3.9347 -3.9347 -3.7562 -3.7562 -3.5259 -3.5259 1.0720 1.0720 2.7872 2.7872 3.2360 3.2360 3.5077 3.5077 3.7433 3.7433 4.5567 4.5567 4.7443 4.7443 5.4400 5.4400 5.5545 5.5545 7.0737 7.0737 8.9305 8.9305 9.9093 9.9093 11.0447 11.0447 11.2441 11.2441 k = 0.1705 0.3032 0.9213 ( 3948 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5267 -5.5267 -5.3140 -5.3140 -4.8936 -4.8936 -4.6312 -4.6312 -4.1315 -4.1315 -3.9361 -3.9361 -3.7562 -3.7562 -3.5257 -3.5257 1.0689 1.0689 2.7916 2.7916 3.2410 3.2410 3.5067 3.5067 3.7376 3.7376 4.5584 4.5584 4.7451 4.7451 5.4303 5.4303 5.5525 5.5525 7.0853 7.0853 8.9539 8.9539 9.8828 9.8828 11.0328 11.0328 11.2828 11.2828 k = 0.1591 0.3169 0.9125 ( 3942 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5348 -5.5348 -5.3021 -5.3021 -4.8928 -4.8928 -4.6353 -4.6353 -4.1309 -4.1309 -3.9377 -3.9377 -3.7562 -3.7562 -3.5255 -3.5255 1.0656 1.0656 2.7965 2.7965 3.2468 3.2468 3.5052 3.5052 3.7316 3.7316 4.5603 4.5603 4.7460 4.7460 5.4196 5.4196 5.5508 5.5508 7.0979 7.0979 8.9800 8.9800 9.8553 9.8553 11.0189 11.0189 11.3254 11.3254 k = 0.1477 0.3306 0.9036 ( 3942 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5425 -5.5425 -5.2902 -5.2902 -4.8919 -4.8919 -4.6397 -4.6397 -4.1303 -4.1303 -3.9393 -3.9393 -3.7562 -3.7562 -3.5252 -3.5252 1.0620 1.0620 2.8016 2.8016 3.2532 3.2532 3.5031 3.5031 3.7254 3.7254 4.5623 4.5623 4.7469 4.7469 5.4079 5.4079 5.5493 5.5493 7.1111 7.1111 9.0083 9.0083 9.8274 9.8274 11.0036 11.0036 11.3707 11.3707 k = 0.1364 0.3443 0.8948 ( 3944 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5500 -5.5500 -5.2783 -5.2783 -4.8909 -4.8909 -4.6445 -4.6445 -4.1296 -4.1296 -3.9410 -3.9410 -3.7563 -3.7563 -3.5250 -3.5250 1.0584 1.0584 2.8069 2.8069 3.2602 3.2602 3.5002 3.5002 3.7193 3.7193 4.5643 4.5643 4.7478 4.7478 5.3955 5.3955 5.5481 5.5481 7.1247 7.1247 9.0385 9.0385 9.7997 9.7997 10.9875 10.9875 11.4177 11.4177 k = 0.1250 0.3580 0.8860 ( 3944 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5571 -5.5571 -5.2667 -5.2667 -4.8898 -4.8898 -4.6496 -4.6496 -4.1288 -4.1288 -3.9428 -3.9428 -3.7563 -3.7563 -3.5247 -3.5247 1.0546 1.0546 2.8124 2.8124 3.2678 3.2678 3.4966 3.4966 3.7135 3.7135 4.5663 4.5663 4.7488 4.7488 5.3829 5.3829 5.5471 5.5471 7.1384 7.1384 9.0700 9.0700 9.7726 9.7726 10.9711 10.9711 11.4657 11.4657 k = 0.1136 0.3718 0.8771 ( 3938 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5637 -5.5637 -5.2555 -5.2555 -4.8887 -4.8887 -4.6548 -4.6548 -4.1281 -4.1281 -3.9446 -3.9446 -3.7563 -3.7563 -3.5244 -3.5244 1.0510 1.0510 2.8178 2.8178 3.2760 3.2760 3.4920 3.4920 3.7081 3.7081 4.5684 4.5684 4.7498 4.7498 5.3702 5.3702 5.5463 5.5463 7.1519 7.1519 9.1023 9.1023 9.7466 9.7466 10.9549 10.9549 11.5142 11.5142 k = 0.1023 0.3855 0.8683 ( 3940 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5697 -5.5697 -5.2448 -5.2448 -4.8875 -4.8875 -4.6600 -4.6600 -4.1273 -4.1273 -3.9463 -3.9463 -3.7564 -3.7564 -3.5242 -3.5242 1.0474 1.0474 2.8230 2.8230 3.2846 3.2846 3.4865 3.4865 3.7033 3.7033 4.5703 4.5703 4.7507 4.7507 5.3577 5.3577 5.5456 5.5456 7.1649 7.1649 9.1348 9.1348 9.7219 9.7219 10.9392 10.9392 11.5627 11.5627 k = 0.0909 0.3992 0.8594 ( 3944 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5752 -5.5752 -5.2347 -5.2347 -4.8863 -4.8863 -4.6653 -4.6653 -4.1265 -4.1265 -3.9481 -3.9481 -3.7564 -3.7564 -3.5240 -3.5240 1.0440 1.0440 2.8280 2.8280 3.2937 3.2937 3.4801 3.4801 3.6991 3.6991 4.5722 4.5722 4.7517 4.7517 5.3458 5.3458 5.5451 5.5451 7.1772 7.1772 9.1668 9.1668 9.6990 9.6990 10.9242 10.9242 11.6109 11.6109 k = 0.0795 0.4129 0.8506 ( 3950 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5802 -5.5802 -5.2254 -5.2254 -4.8851 -4.8851 -4.6703 -4.6703 -4.1258 -4.1258 -3.9497 -3.9497 -3.7564 -3.7564 -3.5237 -3.5237 1.0408 1.0408 2.8327 2.8327 3.3031 3.3031 3.4728 3.4728 3.6956 3.6956 4.5739 4.5739 4.7525 4.7525 5.3346 5.3346 5.5448 5.5448 7.1886 7.1886 9.1977 9.1977 9.6778 9.6778 10.9104 10.9104 11.6586 11.6586 k = 0.0682 0.4266 0.8418 ( 3954 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5845 -5.5845 -5.2171 -5.2171 -4.8839 -4.8839 -4.6751 -4.6751 -4.1251 -4.1251 -3.9512 -3.9512 -3.7565 -3.7565 -3.5235 -3.5235 1.0379 1.0379 2.8370 2.8370 3.3127 3.3127 3.4648 3.4648 3.6928 3.6928 4.5755 4.5755 4.7533 4.7533 5.3245 5.3245 5.5445 5.5445 7.1989 7.1989 9.2267 9.2267 9.6588 9.6588 10.8980 10.8980 11.7054 11.7054 k = 0.0568 0.4403 0.8329 ( 3952 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5881 -5.5881 -5.2098 -5.2098 -4.8828 -4.8828 -4.6794 -4.6794 -4.1244 -4.1244 -3.9525 -3.9525 -3.7565 -3.7565 -3.5234 -3.5234 1.0354 1.0354 2.8408 2.8408 3.3224 3.3224 3.4562 3.4562 3.6905 3.6905 4.5768 4.5768 4.7541 4.7541 5.3155 5.3155 5.5443 5.5443 7.2080 7.2080 9.2531 9.2531 9.6420 9.6420 10.8871 10.8871 11.7510 11.7510 k = 0.0455 0.4540 0.8241 ( 3954 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5912 -5.5912 -5.2036 -5.2036 -4.8818 -4.8818 -4.6832 -4.6832 -4.1239 -4.1239 -3.9537 -3.9537 -3.7566 -3.7566 -3.5232 -3.5232 1.0333 1.0333 2.8439 2.8439 3.3319 3.3319 3.4475 3.4475 3.6889 3.6889 4.5780 4.5780 4.7547 4.7547 5.3080 5.3080 5.5441 5.5441 7.2155 7.2155 9.2762 9.2762 9.6277 9.6277 10.8779 10.8779 11.7944 11.7944 k = 0.0341 0.4677 0.8152 ( 3960 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5935 -5.5935 -5.1987 -5.1987 -4.8810 -4.8810 -4.6863 -4.6863 -4.1234 -4.1234 -3.9546 -3.9546 -3.7566 -3.7566 -3.5231 -3.5231 1.0316 1.0316 2.8465 2.8465 3.3409 3.3409 3.4390 3.4390 3.6877 3.6877 4.5789 4.5789 4.7552 4.7552 5.3019 5.3019 5.5440 5.5440 7.2216 7.2216 9.2952 9.2952 9.6162 9.6162 10.8707 10.8707 11.8342 11.8342 k = 0.0227 0.4814 0.8064 ( 3958 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5952 -5.5952 -5.1952 -5.1952 -4.8803 -4.8803 -4.6887 -4.6887 -4.1230 -4.1230 -3.9552 -3.9552 -3.7566 -3.7566 -3.5230 -3.5230 1.0303 1.0303 2.8483 2.8483 3.3486 3.3486 3.4315 3.4315 3.6869 3.6869 4.5796 4.5796 4.7555 4.7555 5.2975 5.2975 5.5439 5.5439 7.2259 7.2259 9.3094 9.3094 9.6076 9.6076 10.8654 10.8654 11.8677 11.8677 k = 0.0114 0.4951 0.7976 ( 3956 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5963 -5.5963 -5.1930 -5.1930 -4.8799 -4.8799 -4.6901 -4.6901 -4.1228 -4.1228 -3.9557 -3.9557 -3.7566 -3.7566 -3.5229 -3.5229 1.0296 1.0296 2.8494 2.8494 3.3542 3.3542 3.4261 3.4261 3.6864 3.6864 4.5800 4.5800 4.7558 4.7558 5.2949 5.2949 5.5439 5.5439 7.2286 7.2286 9.3182 9.3182 9.6023 9.6023 10.8622 10.8622 11.8908 11.8908 k = 0.0000 0.5088 0.7887 ( 3956 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5966 -5.5966 -5.1923 -5.1923 -4.8798 -4.8798 -4.6906 -4.6906 -4.1228 -4.1228 -3.9558 -3.9558 -3.7566 -3.7566 -3.5229 -3.5229 1.0293 1.0293 2.8498 2.8498 3.3563 3.3563 3.4240 3.4240 3.6863 3.6863 4.5801 4.5801 4.7558 4.7558 5.2940 5.2940 5.5439 5.5439 7.2295 7.2295 9.3212 9.3212 9.6005 9.6005 10.8611 10.8611 11.8992 11.8992 k = 0.0000 0.5088 0.7887 ( 3956 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5966 -5.5966 -5.1923 -5.1923 -4.8798 -4.8798 -4.6906 -4.6906 -4.1228 -4.1228 -3.9558 -3.9558 -3.7566 -3.7566 -3.5229 -3.5229 1.0293 1.0293 2.8498 2.8498 3.3563 3.3563 3.4240 3.4240 3.6863 3.6863 4.5801 4.5801 4.7558 4.7558 5.2940 5.2940 5.5439 5.5439 7.2295 7.2295 9.3212 9.3212 9.6005 9.6005 10.8611 10.8611 11.8992 11.8992 k = 0.0167 0.5186 0.7824 ( 3953 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.5970 -5.5970 -5.1925 -5.1925 -4.8797 -4.8797 -4.6903 -4.6903 -4.1222 -4.1222 -3.9555 -3.9555 -3.7564 -3.7564 -3.5235 -3.5235 1.0299 1.0299 2.8497 2.8497 3.3494 3.3494 3.4293 3.4293 3.6873 3.6873 4.5799 4.5799 4.7569 4.7569 5.2939 5.2939 5.5441 5.5441 7.2287 7.2287 9.3227 9.3227 9.5999 9.5999 10.8590 10.8590 11.8948 11.8948 k = 0.0334 0.5284 0.7761 ( 3953 PWs) bands (ev): -19.8977 -19.8977 -19.8610 -19.8610 -5.5983 -5.5983 -5.1930 -5.1930 -4.8796 -4.8796 -4.6897 -4.6897 -4.1207 -4.1207 -3.9547 -3.9547 -3.7558 -3.7558 -3.5251 -3.5251 1.0314 1.0314 2.8494 2.8494 3.3329 3.3329 3.4405 3.4405 3.6904 3.6904 4.5793 4.5793 4.7600 4.7600 5.2937 5.2937 5.5449 5.5449 7.2264 7.2264 9.3271 9.3271 9.5980 9.5980 10.8526 10.8526 11.8819 11.8819 k = 0.0501 0.5381 0.7698 ( 3948 PWs) bands (ev): -19.8977 -19.8977 -19.8611 -19.8611 -5.6003 -5.6003 -5.1940 -5.1940 -4.8794 -4.8794 -4.6886 -4.6886 -4.1181 -4.1181 -3.9533 -3.9533 -3.7549 -3.7549 -3.5279 -3.5279 1.0341 1.0341 2.8489 2.8489 3.3123 3.3123 3.4520 3.4520 3.6961 3.6961 4.5783 4.5783 4.7652 4.7652 5.2933 5.2933 5.5461 5.5461 7.2226 7.2226 9.3342 9.3342 9.5949 9.5949 10.8425 10.8425 11.8615 11.8615 k = 0.0668 0.5479 0.7635 ( 3947 PWs) bands (ev): -19.8977 -19.8977 -19.8613 -19.8613 -5.6031 -5.6031 -5.1953 -5.1953 -4.8790 -4.8790 -4.6871 -4.6871 -4.1146 -4.1146 -3.9514 -3.9514 -3.7534 -3.7534 -3.5317 -3.5317 1.0377 1.0377 2.8481 2.8481 3.2898 3.2898 3.4611 3.4611 3.7048 3.7048 4.5769 4.5769 4.7723 4.7723 5.2928 5.2928 5.5479 5.5479 7.2173 7.2173 9.3440 9.3440 9.5906 9.5906 10.8292 10.8292 11.8349 11.8349 k = 0.0835 0.5577 0.7572 ( 3947 PWs) bands (ev): -19.8977 -19.8977 -19.8615 -19.8615 -5.6066 -5.6066 -5.1970 -5.1970 -4.8784 -4.8784 -4.6853 -4.6853 -4.1103 -4.1103 -3.9491 -3.9491 -3.7516 -3.7516 -3.5364 -3.5364 1.0424 1.0424 2.8470 2.8470 3.2666 3.2666 3.4665 3.4665 3.7169 3.7169 4.5751 4.5751 4.7812 4.7812 5.2922 5.2922 5.5503 5.5503 7.2106 7.2106 9.3562 9.3562 9.5852 9.5852 10.8134 10.8134 11.8036 11.8036 k = 0.1002 0.5675 0.7509 ( 3949 PWs) bands (ev): -19.8977 -19.8977 -19.8618 -19.8618 -5.6107 -5.6107 -5.1990 -5.1990 -4.8777 -4.8777 -4.6833 -4.6833 -4.1052 -4.1052 -3.9463 -3.9463 -3.7492 -3.7492 -3.5421 -3.5421 1.0481 1.0481 2.8456 2.8456 3.2431 3.2431 3.4678 3.4678 3.7324 3.7324 4.5728 4.5728 4.7919 4.7919 5.2914 5.2914 5.5532 5.5532 7.2025 7.2025 9.3706 9.3706 9.5786 9.5786 10.7958 10.7958 11.7692 11.7692 k = 0.1169 0.5773 0.7445 ( 3952 PWs) bands (ev): -19.8977 -19.8977 -19.8621 -19.8621 -5.6154 -5.6154 -5.2013 -5.2013 -4.8768 -4.8768 -4.6810 -4.6810 -4.0995 -4.0995 -3.9431 -3.9431 -3.7464 -3.7464 -3.5485 -3.5485 1.0548 1.0548 2.8437 2.8437 3.2198 3.2198 3.4649 3.4649 3.7512 3.7512 4.5700 4.5700 4.8041 4.8041 5.2904 5.2904 5.5568 5.5568 7.1931 7.1931 9.3869 9.3869 9.5709 9.5709 10.7774 10.7774 11.7331 11.7331 k = 0.1336 0.5871 0.7382 ( 3951 PWs) bands (ev): -19.8977 -19.8977 -19.8624 -19.8624 -5.6206 -5.6206 -5.2038 -5.2038 -4.8756 -4.8756 -4.6787 -4.6787 -4.0934 -4.0934 -3.9396 -3.9396 -3.7430 -3.7430 -3.5556 -3.5556 1.0625 1.0625 2.8413 2.8413 3.1969 3.1969 3.4583 3.4583 3.7727 3.7727 4.5667 4.5667 4.8177 4.8177 5.2893 5.2893 5.5610 5.5610 7.1826 7.1826 9.4047 9.4047 9.5623 9.5623 10.7587 10.7587 11.6964 11.6964 k = 0.1504 0.5968 0.7319 ( 3951 PWs) bands (ev): -19.8977 -19.8977 -19.8628 -19.8628 -5.6262 -5.6262 -5.2066 -5.2066 -4.8743 -4.8743 -4.6763 -4.6763 -4.0870 -4.0870 -3.9360 -3.9360 -3.7391 -3.7391 -3.5632 -3.5632 1.0710 1.0710 2.8382 2.8382 3.1745 3.1745 3.4486 3.4486 3.7965 3.7965 4.5629 4.5629 4.8326 4.8326 5.2881 5.2881 5.5660 5.5660 7.1710 7.1710 9.4237 9.4237 9.5526 9.5526 10.7406 10.7406 11.6601 11.6601 k = 0.1671 0.6066 0.7256 ( 3951 PWs) bands (ev): -19.8978 -19.8978 -19.8633 -19.8633 -5.6321 -5.6321 -5.2096 -5.2096 -4.8726 -4.8726 -4.6739 -4.6739 -4.0805 -4.0805 -3.9322 -3.9322 -3.7346 -3.7346 -3.5712 -3.5712 1.0805 1.0805 2.8343 2.8343 3.1530 3.1530 3.4362 3.4362 3.8219 3.8219 4.5586 4.5586 4.8485 4.8485 5.2867 5.2867 5.5717 5.5717 7.1584 7.1584 9.4433 9.4433 9.5422 9.5422 10.7236 10.7236 11.6252 11.6252 k = 0.1838 0.6164 0.7193 ( 3945 PWs) bands (ev): -19.8978 -19.8978 -19.8637 -19.8637 -5.6382 -5.6382 -5.2127 -5.2127 -4.8708 -4.8708 -4.6716 -4.6716 -4.0741 -4.0741 -3.9283 -3.9283 -3.7295 -3.7295 -3.5794 -3.5794 1.0908 1.0908 2.8295 2.8295 3.1324 3.1324 3.4218 3.4218 3.8487 3.8487 4.5538 4.5538 4.8653 4.8653 5.2852 5.2852 5.5783 5.5783 7.1449 7.1449 9.4632 9.4632 9.5311 9.5311 10.7083 10.7083 11.5923 11.5923 k = 0.2005 0.6262 0.7130 ( 3945 PWs) bands (ev): -19.8979 -19.8979 -19.8642 -19.8642 -5.6445 -5.6445 -5.2158 -5.2158 -4.8687 -4.8687 -4.6694 -4.6694 -4.0680 -4.0680 -3.9246 -3.9246 -3.7240 -3.7240 -3.5874 -3.5874 1.1020 1.1020 2.8236 2.8236 3.1130 3.1130 3.4056 3.4056 3.8763 3.8763 4.5485 4.5485 4.8828 4.8828 5.2836 5.2836 5.5858 5.5858 7.1305 7.1305 9.4824 9.4824 9.5197 9.5197 10.6951 10.6951 11.5621 11.5621 k = 0.2172 0.6360 0.7067 ( 3949 PWs) bands (ev): -19.8980 -19.8980 -19.8647 -19.8647 -5.6509 -5.6509 -5.2189 -5.2189 -4.8664 -4.8664 -4.6673 -4.6673 -4.0622 -4.0622 -3.9210 -3.9210 -3.7182 -3.7182 -3.5951 -3.5951 1.1140 1.1140 2.8166 2.8166 3.0949 3.0949 3.3881 3.3881 3.9046 3.9046 4.5427 4.5427 4.9010 4.9010 5.2819 5.2819 5.5942 5.5942 7.1155 7.1155 9.4967 9.4967 9.5122 9.5122 10.6844 10.6844 11.5350 11.5350 k = 0.2339 0.6457 0.7004 ( 3941 PWs) bands (ev): -19.8981 -19.8981 -19.8653 -19.8653 -5.6572 -5.6572 -5.2220 -5.2220 -4.8639 -4.8639 -4.6653 -4.6653 -4.0570 -4.0570 -3.9177 -3.9177 -3.7123 -3.7123 -3.6020 -3.6020 1.1267 1.1267 2.8081 2.8081 3.0782 3.0782 3.3695 3.3695 3.9333 3.9333 4.5364 4.5364 4.9196 4.9196 5.2802 5.2802 5.6035 5.6035 7.0999 7.0999 9.4900 9.4900 9.5244 9.5244 10.6765 10.6765 11.5114 11.5114 k = 0.2506 0.6555 0.6941 ( 3945 PWs) bands (ev): -19.8982 -19.8982 -19.8658 -19.8658 -5.6636 -5.6636 -5.2250 -5.2250 -4.8612 -4.8612 -4.6635 -4.6635 -4.0524 -4.0524 -3.9148 -3.9148 -3.7068 -3.7068 -3.6077 -3.6077 1.1402 1.1402 2.7983 2.7983 3.0631 3.0631 3.3501 3.3501 3.9622 3.9622 4.5298 4.5298 4.9386 4.9386 5.2786 5.2786 5.6139 5.6139 7.0837 7.0837 9.4771 9.4771 9.5412 9.5412 10.6717 10.6717 11.4916 11.4916 k = 0.2673 0.6653 0.6878 ( 3941 PWs) bands (ev): -19.8984 -19.8984 -19.8664 -19.8664 -5.6698 -5.6698 -5.2279 -5.2279 -4.8584 -4.8584 -4.6619 -4.6619 -4.0486 -4.0486 -3.9123 -3.9123 -3.7022 -3.7022 -3.6115 -3.6115 1.1543 1.1543 2.7869 2.7869 3.0495 3.0495 3.3302 3.3302 3.9911 3.9911 4.5228 4.5228 4.9578 4.9578 5.2770 5.2770 5.6253 5.6253 7.0671 7.0671 9.4632 9.4632 9.5572 9.5572 10.6701 10.6701 11.4759 11.4759 k = 0.2840 0.6751 0.6814 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6758 -5.6758 -5.2305 -5.2305 -4.8555 -4.8555 -4.6605 -4.6605 -4.0455 -4.0455 -3.9104 -3.9104 -3.6991 -3.6991 -3.6129 -3.6129 1.1691 1.1691 2.7740 2.7740 3.0374 3.0374 3.3099 3.3099 4.0198 4.0198 4.5156 4.5156 4.9771 4.9771 5.2755 5.2755 5.6378 5.6378 7.0502 7.0502 9.4490 9.4490 9.5720 9.5720 10.6720 10.6720 11.4645 11.4645 k = 0.2840 0.6751 0.6814 ( 3941 PWs) bands (ev): -19.8987 -19.8987 -19.8669 -19.8669 -5.6758 -5.6758 -5.2305 -5.2305 -4.8555 -4.8555 -4.6605 -4.6605 -4.0455 -4.0455 -3.9104 -3.9104 -3.6991 -3.6991 -3.6129 -3.6129 1.1691 1.1691 2.7740 2.7740 3.0374 3.0374 3.3099 3.3099 4.0198 4.0198 4.5156 4.5156 4.9771 4.9771 5.2755 5.2755 5.6378 5.6378 7.0502 7.0502 9.4490 9.4490 9.5720 9.5720 10.6720 10.6720 11.4645 11.4645 k = 0.2897 0.6682 0.6635 ( 3941 PWs) bands (ev): -19.8995 -19.8995 -19.8686 -19.8686 -5.6938 -5.6938 -5.2375 -5.2375 -4.8463 -4.8463 -4.6564 -4.6564 -4.0377 -4.0377 -3.9052 -3.9052 -3.6930 -3.6930 -3.6130 -3.6130 1.2153 1.2153 2.7299 2.7299 3.0117 3.0117 3.2497 3.2497 4.1000 4.1000 4.4956 4.4956 5.0323 5.0323 5.2730 5.2730 5.6773 5.6773 6.9996 6.9996 9.4061 9.4061 9.6150 9.6150 10.6839 10.6839 11.4400 11.4400 k = 0.2954 0.6614 0.6456 ( 3933 PWs) bands (ev): -19.9005 -19.9005 -19.8704 -19.8704 -5.7137 -5.7137 -5.2446 -5.2446 -4.8361 -4.8361 -4.6512 -4.6512 -4.0294 -4.0294 -3.8995 -3.8995 -3.6875 -3.6875 -3.6131 -3.6131 1.2675 1.2675 2.6766 2.6766 2.9967 2.9967 3.1866 3.1866 4.1740 4.1740 4.4809 4.4809 5.0857 5.0857 5.2745 5.2745 5.7209 5.7209 6.9449 6.9449 9.3595 9.3595 9.6641 9.6641 10.6990 10.6990 11.4193 11.4193 k = 0.3011 0.6545 0.6276 ( 3929 PWs) bands (ev): -19.9017 -19.9017 -19.8724 -19.8724 -5.7357 -5.7357 -5.2517 -5.2517 -4.8247 -4.8247 -4.6451 -4.6451 -4.0204 -4.0204 -3.8933 -3.8933 -3.6825 -3.6825 -3.6132 -3.6132 1.3256 1.3256 2.6173 2.6173 2.9878 2.9878 3.1237 3.1237 4.2311 4.2311 4.4820 4.4820 5.1320 5.1320 5.2843 5.2843 5.7679 5.7679 6.8870 6.8870 9.3100 9.3100 9.7186 9.7186 10.7174 10.7174 11.4022 11.4022 k = 0.3067 0.6477 0.6097 ( 3939 PWs) bands (ev): -19.9031 -19.9031 -19.8746 -19.8746 -5.7595 -5.7595 -5.2588 -5.2588 -4.8123 -4.8123 -4.6379 -4.6379 -4.0108 -4.0108 -3.8865 -3.8865 -3.6780 -3.6780 -3.6133 -3.6133 1.3891 1.3891 2.5548 2.5548 2.9767 2.9767 3.0676 3.0676 4.2573 4.2573 4.5133 4.5133 5.1638 5.1638 5.3089 5.3089 5.8176 5.8176 6.8265 6.8265 9.2582 9.2582 9.7778 9.7778 10.7392 10.7392 11.3886 11.3886 k = 0.3124 0.6408 0.5918 ( 3939 PWs) bands (ev): -19.9046 -19.9046 -19.8768 -19.8768 -5.7851 -5.7851 -5.2659 -5.2659 -4.7988 -4.7988 -4.6298 -4.6298 -4.0005 -4.0005 -3.8792 -3.8792 -3.6741 -3.6741 -3.6133 -3.6133 1.4579 1.4579 2.4907 2.4907 2.9446 2.9446 3.0362 3.0362 4.2527 4.2527 4.5745 4.5745 5.1789 5.1789 5.3498 5.3498 5.8692 5.8692 6.7640 6.7640 9.2051 9.2051 9.8413 9.8413 10.7644 10.7644 11.3782 11.3782 k = 0.3181 0.6340 0.5738 ( 3935 PWs) bands (ev): -19.9063 -19.9063 -19.8793 -19.8793 -5.8124 -5.8124 -5.2729 -5.2729 -4.7845 -4.7845 -4.6207 -4.6207 -3.9896 -3.9896 -3.8713 -3.8713 -3.6708 -3.6708 -3.6133 -3.6133 1.5315 1.5315 2.4261 2.4261 2.8888 2.8888 3.0321 3.0321 4.2306 4.2306 4.6524 4.6524 5.1830 5.1830 5.4004 5.4004 5.9223 5.9223 6.7004 6.7004 9.1514 9.1514 9.9085 9.9085 10.7932 10.7932 11.3706 11.3706 k = 0.3238 0.6271 0.5559 ( 3931 PWs) bands (ev): -19.9081 -19.9081 -19.8818 -19.8818 -5.8412 -5.8412 -5.2799 -5.2799 -4.7693 -4.7693 -4.6108 -4.6108 -3.9780 -3.9780 -3.8628 -3.8628 -3.6679 -3.6679 -3.6132 -3.6132 1.6095 1.6095 2.3617 2.3617 2.8255 2.8255 3.0390 3.0390 4.2004 4.2004 4.7375 4.7375 5.1816 5.1816 5.4547 5.4547 5.9761 5.9761 6.6362 6.6362 9.0978 9.0978 9.9788 9.9788 10.8254 10.8254 11.3657 11.3657 k = 0.3295 0.6202 0.5380 ( 3933 PWs) bands (ev): -19.9101 -19.9101 -19.8844 -19.8844 -5.8713 -5.8713 -5.2868 -5.2868 -4.7534 -4.7534 -4.6001 -4.6001 -3.9657 -3.9657 -3.8536 -3.8536 -3.6655 -3.6655 -3.6130 -3.6130 1.6914 1.6914 2.2979 2.2979 2.7612 2.7612 3.0506 3.0506 4.1665 4.1665 4.8252 4.8252 5.1774 5.1774 5.5096 5.5096 6.0300 6.0300 6.5723 6.5723 9.0452 9.0452 10.0518 10.0518 10.8613 10.8613 11.3632 11.3632 k = 0.3352 0.6134 0.5200 ( 3937 PWs) bands (ev): -19.9121 -19.9121 -19.8872 -19.8872 -5.9026 -5.9026 -5.2936 -5.2936 -4.7368 -4.7368 -4.5887 -4.5887 -3.9526 -3.9526 -3.8438 -3.8438 -3.6636 -3.6636 -3.6127 -3.6127 1.7766 1.7766 2.2349 2.2349 2.6982 2.6982 3.0651 3.0651 4.1309 4.1309 4.9131 4.9131 5.1718 5.1718 5.5634 5.5634 6.0827 6.0827 6.5099 6.5099 8.9945 8.9945 10.1270 10.1270 10.9006 10.9006 11.3627 11.3627 k = 0.3408 0.6065 0.5021 ( 3929 PWs) bands (ev): -19.9143 -19.9143 -19.8900 -19.8900 -5.9348 -5.9348 -5.3004 -5.3004 -4.7198 -4.7198 -4.5768 -4.5768 -3.9388 -3.9388 -3.8333 -3.8333 -3.6621 -3.6621 -3.6122 -3.6122 1.8638 1.8638 2.1730 2.1730 2.6379 2.6379 3.0817 3.0817 4.0944 4.0944 4.9989 4.9989 5.1663 5.1663 5.6152 5.6152 6.1323 6.1323 6.4512 6.4512 8.9464 8.9464 10.2039 10.2039 10.9433 10.9433 11.3641 11.3641 k = 0.3465 0.5997 0.4842 ( 3921 PWs) bands (ev): -19.9165 -19.9165 -19.8929 -19.8929 -5.9678 -5.9678 -5.3071 -5.3071 -4.7025 -4.7025 -4.5645 -4.5645 -3.9244 -3.9244 -3.8220 -3.8220 -3.6610 -3.6610 -3.6114 -3.6114 1.9515 1.9515 2.1125 2.1125 2.5820 2.5820 3.1001 3.1001 4.0579 4.0579 5.0765 5.0765 5.1662 5.1662 5.6644 5.6644 6.1735 6.1735 6.4016 6.4016 8.9018 8.9018 10.2822 10.2822 10.9894 10.9894 11.3671 11.3671 k = 0.3522 0.5928 0.4662 ( 3931 PWs) bands (ev): -19.9189 -19.9189 -19.8959 -19.8959 -6.0013 -6.0013 -5.3138 -5.3138 -4.6850 -4.6850 -4.5518 -4.5518 -3.9092 -3.9092 -3.8101 -3.8101 -3.6603 -3.6603 -3.6105 -3.6105 2.0318 2.0318 2.0583 2.0583 2.5335 2.5335 3.1202 3.1202 4.0218 4.0218 5.1173 5.1173 5.1995 5.1995 5.7105 5.7105 6.1929 6.1929 6.3744 6.3744 8.8615 8.8615 10.3613 10.3613 11.0385 11.0385 11.3714 11.3714 k = 0.3579 0.5860 0.4483 ( 3931 PWs) bands (ev): -19.9213 -19.9213 -19.8988 -19.8988 -6.0351 -6.0351 -5.3203 -5.3203 -4.6675 -4.6675 -4.5389 -4.5389 -3.8933 -3.8933 -3.7974 -3.7974 -3.6598 -3.6598 -3.6093 -3.6093 1.9930 1.9930 2.1154 2.1154 2.4990 2.4990 3.1416 3.1416 3.9863 3.9863 5.1170 5.1170 5.2697 5.2697 5.7531 5.7531 6.1761 6.1761 6.3844 6.3844 8.8264 8.8264 10.4406 10.4406 11.0903 11.0903 11.3769 11.3769 k = 0.3636 0.5791 0.4304 ( 3923 PWs) bands (ev): -19.9237 -19.9237 -19.9019 -19.9019 -6.0691 -6.0691 -5.3268 -5.3268 -4.6501 -4.6501 -4.5259 -4.5259 -3.8769 -3.8769 -3.7840 -3.7840 -3.6596 -3.6596 -3.6078 -3.6078 1.9367 1.9367 2.1687 2.1687 2.4918 2.4918 3.1644 3.1644 3.9517 3.9517 5.1069 5.1069 5.3444 5.3444 5.7917 5.7917 6.1347 6.1347 6.4203 6.4203 8.7972 8.7972 10.5195 10.5195 11.1445 11.1445 11.3832 11.3832 k = 0.3693 0.5723 0.4125 ( 3923 PWs) bands (ev): -19.9262 -19.9262 -19.9049 -19.9049 -6.1031 -6.1031 -5.3332 -5.3332 -4.6332 -4.6332 -4.5128 -4.5128 -3.8599 -3.8599 -3.7700 -3.7700 -3.6594 -3.6594 -3.6060 -3.6060 1.8817 1.8817 2.1851 2.1851 2.5261 2.5261 3.1884 3.1884 3.9183 3.9183 5.0938 5.0938 5.4163 5.4163 5.8257 5.8257 6.0855 6.0855 6.4660 6.4660 8.7748 8.7748 10.5972 10.5972 11.2002 11.2002 11.3903 11.3903 k = 0.3749 0.5654 0.3945 ( 3913 PWs) bands (ev): -19.9287 -19.9287 -19.9079 -19.9079 -6.1368 -6.1368 -5.3394 -5.3394 -4.6167 -4.6167 -4.4997 -4.4997 -3.8424 -3.8424 -3.7553 -3.7553 -3.6593 -3.6593 -3.6038 -3.6038 1.8282 1.8282 2.1692 2.1692 2.5968 2.5968 3.2138 3.2138 3.8862 3.8862 5.0786 5.0786 5.4835 5.4835 5.8536 5.8536 6.0366 6.0366 6.5148 6.5148 8.7599 8.7599 10.6728 10.6728 11.2567 11.2567 11.3979 11.3979 k = 0.3806 0.5585 0.3766 ( 3905 PWs) bands (ev): -19.9312 -19.9312 -19.9110 -19.9110 -6.1701 -6.1701 -5.3456 -5.3456 -4.6010 -4.6010 -4.4866 -4.4866 -3.8247 -3.8247 -3.7403 -3.7403 -3.6590 -3.6590 -3.6014 -3.6014 1.7763 1.7763 2.1369 2.1369 2.6873 2.6873 3.2405 3.2405 3.8557 3.8557 5.0617 5.0617 5.5448 5.5448 5.8713 5.8713 5.9947 5.9947 6.5643 6.5643 8.7532 8.7532 10.7450 10.7450 11.3125 11.3125 11.4060 11.4060 k = 0.3863 0.5517 0.3587 ( 3897 PWs) bands (ev): -19.9337 -19.9337 -19.9139 -19.9139 -6.2029 -6.2029 -5.3516 -5.3516 -4.5861 -4.5861 -4.4736 -4.4736 -3.8069 -3.8069 -3.7249 -3.7249 -3.6583 -3.6583 -3.5985 -3.5985 1.7262 1.7262 2.0980 2.0980 2.7870 2.7870 3.2689 3.2689 3.8270 3.8270 5.0431 5.0431 5.5990 5.5990 5.8687 5.8687 5.9714 5.9714 6.6135 6.6135 8.7552 8.7552 10.8121 10.8121 11.3657 11.3657 11.4148 11.4148 k = 0.3920 0.5448 0.3407 ( 3901 PWs) bands (ev): -19.9362 -19.9362 -19.9169 -19.9169 -6.2350 -6.2350 -5.3575 -5.3575 -4.5722 -4.5722 -4.4607 -4.4607 -3.7893 -3.7893 -3.7096 -3.7096 -3.6568 -3.6568 -3.5953 -3.5953 1.6779 1.6779 2.0571 2.0571 2.8902 2.8902 3.2995 3.2995 3.8005 3.8005 5.0229 5.0229 5.6449 5.6449 5.8422 5.8422 5.9715 5.9715 6.6618 6.6618 8.7664 8.7664 10.8720 10.8720 11.4099 11.4099 11.4283 11.4283 k = 0.3977 0.5380 0.3228 ( 3901 PWs) bands (ev): -19.9387 -19.9387 -19.9198 -19.9198 -6.2662 -6.2662 -5.3633 -5.3633 -4.5594 -4.5594 -4.4479 -4.4479 -3.7722 -3.7722 -3.6949 -3.6949 -3.6536 -3.6536 -3.5916 -3.5916 1.6316 1.6316 2.0162 2.0162 2.9930 2.9930 3.3333 3.3333 3.7767 3.7767 5.0012 5.0012 5.6802 5.6802 5.8077 5.8077 5.9815 5.9815 6.7087 6.7087 8.7871 8.7871 10.9218 10.9218 11.4264 11.4264 11.4622 11.4622 k = 0.4034 0.5311 0.3049 ( 3903 PWs) bands (ev): -19.9411 -19.9411 -19.9226 -19.9226 -6.2964 -6.2964 -5.3689 -5.3689 -4.5477 -4.5477 -4.4354 -4.4354 -3.7562 -3.7562 -3.6819 -3.6819 -3.6476 -3.6476 -3.5875 -3.5875 1.5872 1.5872 1.9762 1.9762 3.0911 3.0911 3.3727 3.3727 3.7563 3.7563 4.9778 4.9778 5.6983 5.6983 5.7802 5.7802 5.9931 5.9931 6.7541 6.7541 8.8172 8.8172 10.9585 10.9585 11.4349 11.4349 11.4937 11.4937 k = 0.4091 0.5243 0.2869 ( 3907 PWs) bands (ev): -19.9435 -19.9435 -19.9254 -19.9254 -6.3255 -6.3255 -5.3742 -5.3742 -4.5371 -4.5371 -4.4232 -4.4232 -3.7420 -3.7420 -3.6712 -3.6712 -3.6376 -3.6376 -3.5830 -3.5830 1.5449 1.5449 1.9377 1.9377 3.1785 3.1785 3.4212 3.4212 3.7406 3.7406 4.9530 4.9530 5.6884 5.6884 5.7733 5.7733 6.0035 6.0035 6.7978 6.7978 8.8567 8.8567 10.9793 10.9793 11.4422 11.4422 11.5132 11.5132 k = 0.4147 0.5174 0.2690 ( 3917 PWs) bands (ev): -19.9458 -19.9458 -19.9280 -19.9280 -6.3534 -6.3534 -5.3794 -5.3794 -4.5277 -4.5277 -4.4114 -4.4114 -3.7303 -3.7303 -3.6618 -3.6618 -3.6243 -3.6243 -3.5779 -3.5779 1.5048 1.5048 1.9010 1.9010 3.2490 3.2490 3.4813 3.4813 3.7330 3.7330 4.9269 4.9269 5.6605 5.6605 5.7780 5.7780 6.0121 6.0121 6.8395 6.8395 8.9051 8.9051 10.9826 10.9826 11.4488 11.4488 11.5187 11.5187 k = 0.4204 0.5106 0.2511 ( 3917 PWs) bands (ev): -19.9480 -19.9480 -19.9305 -19.9305 -6.3800 -6.3800 -5.3844 -5.3844 -4.5193 -4.5193 -4.4000 -4.4000 -3.7217 -3.7217 -3.6520 -3.6520 -3.6091 -3.6091 -3.5722 -3.5722 1.4669 1.4669 1.8663 1.8663 3.3006 3.3006 3.5461 3.5461 3.7414 3.7414 4.8996 4.8996 5.6289 5.6289 5.7804 5.7804 6.0188 6.0188 6.8792 6.8792 8.9618 8.9618 10.9694 10.9694 11.4545 11.4545 11.5107 11.5107 k = 0.4261 0.5037 0.2331 ( 3921 PWs) bands (ev): -19.9501 -19.9501 -19.9330 -19.9330 -6.4051 -6.4051 -5.3891 -5.3891 -4.5119 -4.5119 -4.3891 -4.3891 -3.7160 -3.7160 -3.6413 -3.6413 -3.5933 -3.5933 -3.5658 -3.5658 1.4312 1.4312 1.8338 1.8338 3.3371 3.3371 3.5954 3.5954 3.7819 3.7819 4.8714 4.8714 5.5983 5.5983 5.7764 5.7764 6.0236 6.0236 6.9166 6.9166 9.0260 9.0260 10.9427 10.9427 11.4583 11.4583 11.4921 11.4921 k = 0.4318 0.4969 0.2152 ( 3919 PWs) bands (ev): -19.9520 -19.9520 -19.9352 -19.9352 -6.4287 -6.4287 -5.3935 -5.3935 -4.5055 -4.5055 -4.3789 -4.3789 -3.7126 -3.7126 -3.6300 -3.6300 -3.5776 -3.5776 -3.5584 -3.5584 1.3979 1.3979 1.8034 1.8034 3.3631 3.3631 3.6192 3.6192 3.8593 3.8593 4.8426 4.8426 5.5696 5.5696 5.7654 5.7654 6.0264 6.0264 6.9518 6.9518 9.0967 9.0967 10.9063 10.9063 11.4520 11.4520 11.4741 11.4741 k = 0.4375 0.4900 0.1973 ( 3919 PWs) bands (ev): -19.9539 -19.9539 -19.9374 -19.9374 -6.4507 -6.4507 -5.3977 -5.3977 -4.4999 -4.4999 -4.3694 -4.3694 -3.7109 -3.7109 -3.6190 -3.6190 -3.5627 -3.5627 -3.5497 -3.5497 1.3670 1.3670 1.7754 1.7754 3.3813 3.3813 3.6305 3.6305 3.9571 3.9571 4.8135 4.8135 5.5435 5.5435 5.7472 5.7472 6.0276 6.0276 6.9845 6.9845 9.1727 9.1727 10.8641 10.8641 11.4226 11.4226 11.4727 11.4727 k = 0.4432 0.4831 0.1793 ( 3915 PWs) bands (ev): -19.9557 -19.9557 -19.9394 -19.9394 -6.4710 -6.4710 -5.4015 -5.4015 -4.4952 -4.4952 -4.3606 -4.3606 -3.7101 -3.7101 -3.6088 -3.6088 -3.5495 -3.5495 -3.5392 -3.5392 1.3385 1.3385 1.7496 1.7496 3.3933 3.3933 3.6396 3.6396 4.0631 4.0631 4.7846 4.7846 5.5198 5.5198 5.7222 5.7222 6.0272 6.0272 7.0147 7.0147 9.2527 9.2527 10.8194 10.8194 11.3862 11.3862 11.4745 11.4745 k = 0.4488 0.4763 0.1614 ( 3909 PWs) bands (ev): -19.9573 -19.9573 -19.9412 -19.9412 -6.4896 -6.4896 -5.4051 -5.4051 -4.4911 -4.4911 -4.3526 -4.3526 -3.7100 -3.7100 -3.5998 -3.5998 -3.5381 -3.5381 -3.5271 -3.5271 1.3126 1.3126 1.7262 1.7262 3.4003 3.4003 3.6497 3.6497 4.1720 4.1720 4.7563 4.7563 5.4987 5.4987 5.6908 5.6908 6.0255 6.0255 7.0423 7.0423 9.3351 9.3351 10.7744 10.7744 11.3487 11.3487 11.4758 11.4758 k = 0.4545 0.4694 0.1435 ( 3905 PWs) bands (ev): -19.9587 -19.9587 -19.9429 -19.9429 -6.5064 -6.5064 -5.4083 -5.4083 -4.4876 -4.4876 -4.3454 -4.3454 -3.7102 -3.7102 -3.5921 -3.5921 -3.5277 -3.5277 -3.5146 -3.5146 1.2893 1.2893 1.7053 1.7053 3.4034 3.4034 3.6614 3.6614 4.2814 4.2814 4.7290 4.7290 5.4799 5.4799 5.6532 5.6532 6.0229 6.0229 7.0672 7.0672 9.4183 9.4183 10.7311 10.7311 11.3122 11.3122 11.4761 11.4761 k = 0.4602 0.4626 0.1255 ( 3911 PWs) bands (ev): -19.9601 -19.9601 -19.9444 -19.9444 -6.5213 -6.5213 -5.4111 -5.4111 -4.4847 -4.4847 -4.3390 -4.3390 -3.7107 -3.7107 -3.5856 -3.5856 -3.5179 -3.5179 -3.5027 -3.5027 1.2686 1.2686 1.6867 1.6867 3.4039 3.4039 3.6743 3.6743 4.3897 4.3897 4.7032 4.7032 5.4632 5.4632 5.6101 5.6101 6.0197 6.0197 7.0894 7.0894 9.5002 9.5002 10.6906 10.6906 11.2782 11.2782 11.4741 11.4741 k = 0.4659 0.4557 0.1076 ( 3919 PWs) bands (ev): -19.9612 -19.9612 -19.9457 -19.9457 -6.5344 -6.5344 -5.4136 -5.4136 -4.4823 -4.4823 -4.3335 -4.3335 -3.7112 -3.7112 -3.5803 -3.5803 -3.5089 -3.5089 -3.4920 -3.4920 1.2506 1.2506 1.6706 1.6706 3.4027 3.4027 3.6877 3.6877 4.4959 4.4959 4.6796 4.6796 5.4480 5.4480 5.5622 5.5622 6.0161 6.0161 7.1087 7.1087 9.5788 9.5788 10.6541 10.6541 11.2474 11.2474 11.4535 11.4535 k = 0.4716 0.4489 0.0897 ( 3921 PWs) bands (ev): -19.9622 -19.9622 -19.9468 -19.9468 -6.5455 -6.5455 -5.4158 -5.4158 -4.4803 -4.4803 -4.3288 -4.3288 -3.7117 -3.7117 -3.5760 -3.5760 -3.5008 -3.5008 -3.4825 -3.4825 1.2353 1.2353 1.6569 1.6569 3.4007 3.4007 3.7006 3.7006 4.5984 4.5984 4.6589 4.6589 5.4329 5.4329 5.5116 5.5116 6.0126 6.0126 7.1251 7.1251 9.6518 9.6518 10.6221 10.6221 11.2208 11.2208 11.4215 11.4215 k = 0.4773 0.4420 0.0717 ( 3915 PWs) bands (ev): -19.9630 -19.9630 -19.9477 -19.9477 -6.5546 -6.5546 -5.4176 -5.4176 -4.4788 -4.4788 -4.3250 -4.3250 -3.7122 -3.7122 -3.5725 -3.5725 -3.4938 -3.4938 -3.4746 -3.4746 1.2227 1.2227 1.6457 1.6457 3.3984 3.3984 3.7123 3.7123 4.6388 4.6388 4.6991 4.6991 5.4114 5.4114 5.4655 5.4655 6.0093 6.0093 7.1386 7.1386 9.7166 9.7166 10.5954 10.5954 11.1986 11.1986 11.3939 11.3939 k = 0.4829 0.4352 0.0538 ( 3915 PWs) bands (ev): -19.9636 -19.9636 -19.9484 -19.9484 -6.5617 -6.5617 -5.4189 -5.4189 -4.4776 -4.4776 -4.3220 -4.3220 -3.7127 -3.7127 -3.5699 -3.5699 -3.4882 -3.4882 -3.4684 -3.4684 1.2129 1.2129 1.6370 1.6370 3.3962 3.3962 3.7221 3.7221 4.6246 4.6246 4.7912 4.7912 5.3690 5.3690 5.4397 5.4397 6.0065 6.0065 7.1491 7.1491 9.7707 9.7707 10.5742 10.5742 11.1812 11.1812 11.3719 11.3719 k = 0.4886 0.4283 0.0359 ( 3913 PWs) bands (ev): -19.9641 -19.9641 -19.9489 -19.9489 -6.5668 -6.5668 -5.4199 -5.4199 -4.4768 -4.4768 -4.3199 -4.3199 -3.7130 -3.7130 -3.5681 -3.5681 -3.4841 -3.4841 -3.4639 -3.4639 1.2058 1.2058 1.6307 1.6307 3.3945 3.3945 3.7295 3.7295 4.6139 4.6139 4.8742 4.8742 5.3141 5.3141 5.4292 5.4292 6.0044 6.0044 7.1566 7.1566 9.8115 9.8115 10.5588 10.5588 11.1688 11.1688 11.3560 11.3560 k = 0.4943 0.4214 0.0179 ( 3909 PWs) bands (ev): -19.9644 -19.9644 -19.9492 -19.9492 -6.5699 -6.5699 -5.4205 -5.4205 -4.4763 -4.4763 -4.3186 -4.3186 -3.7132 -3.7132 -3.5670 -3.5670 -3.4816 -3.4816 -3.4611 -3.4611 1.2016 1.2016 1.6270 1.6270 3.3934 3.3934 3.7341 3.7341 4.6073 4.6073 4.9390 4.9390 5.2648 5.2648 5.4245 5.4245 6.0030 6.0030 7.1612 7.1612 9.8370 9.8370 10.5495 10.5495 11.1613 11.1613 11.3463 11.3463 k = 0.5000 0.4146-0.0000 ( 3910 PWs) bands (ev): -19.9645 -19.9645 -19.9493 -19.9493 -6.5709 -6.5709 -5.4207 -5.4207 -4.4761 -4.4761 -4.3182 -4.3182 -3.7133 -3.7133 -3.5666 -3.5666 -3.4807 -3.4807 -3.4602 -3.4602 1.2002 1.2002 1.6257 1.6257 3.3930 3.3930 3.7357 3.7357 4.6050 4.6050 4.9659 4.9659 5.2428 5.2428 5.4230 5.4230 6.0026 6.0026 7.1627 7.1627 9.8457 9.8457 10.5464 10.5464 11.1588 11.1588 11.3430 11.3430 k = 0.5000 0.4146-0.0000 ( 3910 PWs) bands (ev): -19.9645 -19.9645 -19.9493 -19.9493 -6.5709 -6.5709 -5.4207 -5.4207 -4.4761 -4.4761 -4.3182 -4.3182 -3.7133 -3.7133 -3.5666 -3.5666 -3.4807 -3.4807 -3.4602 -3.4602 1.2002 1.2002 1.6257 1.6257 3.3930 3.3930 3.7357 3.7357 4.6050 4.6050 4.9659 4.9659 5.2428 5.2428 5.4230 5.4230 6.0026 6.0026 7.1627 7.1627 9.8457 9.8457 10.5464 10.5464 11.1588 11.1588 11.3430 11.3430 k = 0.4844 0.4016-0.0000 ( 3905 PWs) bands (ev): -19.9646 -19.9646 -19.9492 -19.9492 -6.5704 -6.5704 -5.4202 -5.4202 -4.4774 -4.4774 -4.3178 -4.3178 -3.7149 -3.7149 -3.5656 -3.5656 -3.4813 -3.4813 -3.4600 -3.4600 1.2004 1.2004 1.6258 1.6258 3.3932 3.3932 3.7370 3.7370 4.6053 4.6053 4.9660 4.9660 5.2427 5.2427 5.4233 5.4233 6.0029 6.0029 7.1629 7.1629 9.8454 9.8454 10.5434 10.5434 11.1587 11.1587 11.3316 11.3316 k = 0.4688 0.3887-0.0000 ( 3905 PWs) bands (ev): -19.9650 -19.9650 -19.9488 -19.9488 -6.5689 -6.5689 -5.4185 -5.4185 -4.4810 -4.4810 -4.3168 -4.3168 -3.7196 -3.7196 -3.5629 -3.5629 -3.4829 -3.4829 -3.4593 -3.4593 1.2008 1.2008 1.6260 1.6260 3.3938 3.3938 3.7407 3.7407 4.6060 4.6060 4.9663 4.9663 5.2422 5.2422 5.4243 5.4243 6.0037 6.0037 7.1636 7.1636 9.8448 9.8448 10.5343 10.5343 11.1578 11.1578 11.2998 11.2998 k = 0.4531 0.3757-0.0000 ( 3903 PWs) bands (ev): -19.9657 -19.9657 -19.9481 -19.9481 -6.5664 -6.5664 -5.4157 -5.4157 -4.4868 -4.4868 -4.3152 -4.3152 -3.7270 -3.7270 -3.5588 -3.5588 -3.4855 -3.4855 -3.4585 -3.4585 1.2016 1.2016 1.6263 1.6263 3.3949 3.3949 3.7468 3.7468 4.6073 4.6073 4.9667 4.9667 5.2415 5.2415 5.4259 5.4259 6.0051 6.0051 7.1647 7.1647 9.8438 9.8438 10.5193 10.5193 11.1538 11.1538 11.2542 11.2542 k = 0.4375 0.3628-0.0000 ( 3907 PWs) bands (ev): -19.9666 -19.9666 -19.9473 -19.9473 -6.5629 -6.5629 -5.4118 -5.4118 -4.4946 -4.4946 -4.3133 -4.3133 -3.7366 -3.7366 -3.5538 -3.5538 -3.4887 -3.4887 -3.4575 -3.4575 1.2027 1.2027 1.6268 1.6268 3.3963 3.3963 3.7554 3.7554 4.6089 4.6089 4.9672 4.9672 5.2406 5.2406 5.4282 5.4282 6.0070 6.0070 7.1663 7.1663 9.8424 9.8424 10.4989 10.4989 11.1359 11.1359 11.2106 11.2106 k = 0.4219 0.3498-0.0000 ( 3903 PWs) bands (ev): -19.9676 -19.9676 -19.9463 -19.9463 -6.5585 -6.5585 -5.4068 -5.4068 -4.5041 -4.5041 -4.3112 -4.3112 -3.7480 -3.7480 -3.5485 -3.5485 -3.4925 -3.4925 -3.4566 -3.4566 1.2042 1.2042 1.6274 1.6274 3.3982 3.3982 3.7663 3.7663 4.6111 4.6111 4.9679 4.9679 5.2393 5.2393 5.4311 5.4311 6.0095 6.0095 7.1682 7.1682 9.8406 9.8406 10.4734 10.4734 11.0852 11.0852 11.1919 11.1919 k = 0.4062 0.3369-0.0000 ( 3909 PWs) bands (ev): -19.9686 -19.9686 -19.9452 -19.9452 -6.5532 -6.5532 -5.4007 -5.4007 -4.5150 -4.5150 -4.3092 -4.3092 -3.7607 -3.7607 -3.5432 -3.5432 -3.4967 -3.4967 -3.4558 -3.4558 1.2059 1.2059 1.6282 1.6282 3.4005 3.4005 3.7795 3.7795 4.6136 4.6136 4.9688 4.9688 5.2378 5.2378 5.4347 5.4347 6.0124 6.0124 7.1706 7.1706 9.8384 9.8384 10.4433 10.4433 11.0142 11.0142 11.1888 11.1888 k = 0.3906 0.3239-0.0000 ( 3907 PWs) bands (ev): -19.9698 -19.9698 -19.9441 -19.9441 -6.5470 -6.5470 -5.3936 -5.3936 -4.5271 -4.5271 -4.3074 -4.3074 -3.7745 -3.7745 -3.5382 -3.5382 -3.5012 -3.5012 -3.4551 -3.4551 1.2079 1.2079 1.6291 1.6291 3.4031 3.4031 3.7949 3.7949 4.6164 4.6164 4.9697 4.9697 5.2361 5.2361 5.4389 5.4389 6.0158 6.0158 7.1733 7.1733 9.8358 9.8358 10.4089 10.4089 10.9366 10.9366 11.1902 11.1902 k = 0.3750 0.3109-0.0000 ( 3917 PWs) bands (ev): -19.9710 -19.9710 -19.9430 -19.9430 -6.5400 -6.5400 -5.3854 -5.3854 -4.5402 -4.5402 -4.3059 -4.3059 -3.7891 -3.7891 -3.5339 -3.5339 -3.5060 -3.5060 -3.4546 -3.4546 1.2101 1.2101 1.6302 1.6302 3.4061 3.4061 3.8125 3.8125 4.6195 4.6195 4.9706 4.9706 5.2342 5.2342 5.4439 5.4439 6.0196 6.0196 7.1763 7.1763 9.8330 9.8330 10.3706 10.3706 10.8570 10.8570 11.1931 11.1931 k = 0.3594 0.2980-0.0000 ( 3917 PWs) bands (ev): -19.9722 -19.9722 -19.9418 -19.9418 -6.5323 -6.5323 -5.3763 -5.3763 -4.5539 -4.5539 -4.3049 -4.3049 -3.8043 -3.8043 -3.5304 -3.5304 -3.5110 -3.5110 -3.4542 -3.4542 1.2127 1.2127 1.6314 1.6314 3.4094 3.4094 3.8321 3.8321 4.6228 4.6228 4.9716 4.9716 5.2321 5.2321 5.4494 5.4494 6.0238 6.0238 7.1796 7.1796 9.8298 9.8298 10.3287 10.3287 10.7775 10.7775 11.1969 11.1969 k = 0.3438 0.2850-0.0000 ( 3929 PWs) bands (ev): -19.9734 -19.9734 -19.9406 -19.9406 -6.5239 -6.5239 -5.3662 -5.3662 -4.5681 -4.5681 -4.3043 -4.3043 -3.8201 -3.8201 -3.5277 -3.5277 -3.5161 -3.5161 -3.4540 -3.4540 1.2154 1.2154 1.6328 1.6328 3.4131 3.4131 3.8536 3.8536 4.6263 4.6263 4.9726 4.9726 5.2298 5.2298 5.4557 5.4557 6.0283 6.0283 7.1831 7.1831 9.8263 9.8263 10.2835 10.2835 10.6996 10.6996 11.2012 11.2012 k = 0.3281 0.2721-0.0000 ( 3925 PWs) bands (ev): -19.9746 -19.9746 -19.9394 -19.9394 -6.5150 -6.5150 -5.3551 -5.3551 -4.5827 -4.5827 -4.3043 -4.3043 -3.8363 -3.8363 -3.5261 -3.5261 -3.5212 -3.5212 -3.4539 -3.4539 1.2184 1.2184 1.6344 1.6344 3.4170 3.4170 3.8770 3.8770 4.6299 4.6299 4.9735 4.9735 5.2273 5.2273 5.4626 5.4626 6.0331 6.0331 7.1869 7.1869 9.8226 9.8226 10.2354 10.2354 10.6241 10.6241 11.2059 11.2059 k = 0.3125 0.2591-0.0000 ( 3929 PWs) bands (ev): -19.9758 -19.9758 -19.9383 -19.9383 -6.5055 -6.5055 -5.3432 -5.3432 -4.5974 -4.5974 -4.3050 -4.3050 -3.8528 -3.8528 -3.5272 -3.5272 -3.5245 -3.5245 -3.4540 -3.4540 1.2216 1.2216 1.6361 1.6361 3.4211 3.4211 3.9020 3.9020 4.6335 4.6335 4.9743 4.9743 5.2248 5.2248 5.4701 5.4701 6.0381 6.0381 7.1907 7.1907 9.8185 9.8185 10.1847 10.1847 10.5517 10.5517 11.2108 11.2108 k = 0.2969 0.2462-0.0000 ( 3925 PWs) bands (ev): -19.9770 -19.9770 -19.9371 -19.9371 -6.4956 -6.4956 -5.3304 -5.3304 -4.6121 -4.6121 -4.3062 -4.3062 -3.8695 -3.8695 -3.5321 -3.5321 -3.5250 -3.5250 -3.4543 -3.4543 1.2249 1.2249 1.6380 1.6380 3.4255 3.4255 3.9286 3.9286 4.6371 4.6371 4.9749 4.9749 5.2221 5.2221 5.4783 5.4783 6.0433 6.0433 7.1947 7.1947 9.8143 9.8143 10.1319 10.1319 10.4828 10.4828 11.2158 11.2158 k = 0.2812 0.2332-0.0000 ( 3923 PWs) bands (ev): -19.9781 -19.9781 -19.9360 -19.9360 -6.4854 -6.4854 -5.3169 -5.3169 -4.6267 -4.6267 -4.3081 -4.3081 -3.8863 -3.8863 -3.5372 -3.5372 -3.5261 -3.5261 -3.4548 -3.4548 1.2283 1.2283 1.6400 1.6400 3.4300 3.4300 3.9566 3.9566 4.6405 4.6405 4.9754 4.9754 5.2193 5.2193 5.4869 5.4869 6.0486 6.0486 7.1988 7.1988 9.8098 9.8098 10.0777 10.0777 10.4174 10.4174 11.2209 11.2209 k = 0.2656 0.2203-0.0000 ( 3919 PWs) bands (ev): -19.9793 -19.9793 -19.9349 -19.9349 -6.4750 -6.4750 -5.3026 -5.3026 -4.6411 -4.6411 -4.3106 -4.3106 -3.9032 -3.9032 -3.5423 -3.5423 -3.5280 -3.5280 -3.4554 -3.4554 1.2318 1.2318 1.6422 1.6422 3.4346 3.4346 3.9858 3.9858 4.6438 4.6438 4.9755 4.9755 5.2164 5.2164 5.4961 5.4961 6.0540 6.0540 7.2029 7.2029 9.8049 9.8049 10.0229 10.0229 10.3555 10.3555 11.2261 11.2261 k = 0.2500 0.2073-0.0000 ( 3915 PWs) bands (ev): -19.9803 -19.9803 -19.9339 -19.9339 -6.4645 -6.4645 -5.2877 -5.2877 -4.6551 -4.6551 -4.3137 -4.3137 -3.9200 -3.9200 -3.5473 -3.5473 -3.5307 -3.5307 -3.4562 -3.4562 1.2353 1.2353 1.6445 1.6445 3.4393 3.4393 4.0161 4.0161 4.6468 4.6468 4.9754 4.9754 5.2135 5.2135 5.5056 5.5056 6.0594 6.0594 7.2069 7.2069 9.7996 9.7996 9.9683 9.9683 10.2967 10.2967 11.2312 11.2312 k = 0.2344 0.1943-0.0000 ( 3913 PWs) bands (ev): -19.9814 -19.9814 -19.9329 -19.9329 -6.4540 -6.4540 -5.2723 -5.2723 -4.6687 -4.6687 -4.3174 -4.3174 -3.9366 -3.9366 -3.5522 -3.5522 -3.5339 -3.5339 -3.4571 -3.4571 1.2388 1.2388 1.6468 1.6468 3.4440 3.4440 4.0473 4.0473 4.6495 4.6495 4.9749 4.9749 5.2106 5.2106 5.5155 5.5155 6.0648 6.0648 7.2109 7.2109 9.7935 9.7935 9.9154 9.9154 10.2407 10.2407 11.2362 11.2362 k = 0.2188 0.1814-0.0000 ( 3909 PWs) bands (ev): -19.9824 -19.9824 -19.9319 -19.9319 -6.4435 -6.4435 -5.2564 -5.2564 -4.6818 -4.6818 -4.3217 -4.3217 -3.9530 -3.9530 -3.5570 -3.5570 -3.5377 -3.5377 -3.4580 -3.4580 1.2422 1.2422 1.6493 1.6493 3.4487 3.4487 4.0792 4.0792 4.6518 4.6518 4.9740 4.9740 5.2077 5.2077 5.5255 5.5255 6.0702 6.0702 7.2148 7.2148 9.7851 9.7851 9.8663 9.8663 10.1873 10.1873 11.2410 11.2410 k = 0.2031 0.1684-0.0000 ( 3911 PWs) bands (ev): -19.9833 -19.9833 -19.9310 -19.9310 -6.4333 -6.4333 -5.2402 -5.2402 -4.6943 -4.6943 -4.3264 -4.3264 -3.9689 -3.9689 -3.5617 -3.5617 -3.5418 -3.5418 -3.4590 -3.4590 1.2456 1.2456 1.6517 1.6517 3.4534 3.4534 4.1116 4.1116 4.6537 4.6537 4.9728 4.9728 5.2048 5.2048 5.5356 5.5356 6.0754 6.0754 7.2185 7.2185 9.7700 9.7700 9.8262 9.8262 10.1363 10.1363 11.2454 11.2454 k = 0.1875 0.1555-0.0000 ( 3901 PWs) bands (ev): -19.9842 -19.9842 -19.9302 -19.9302 -6.4233 -6.4233 -5.2237 -5.2237 -4.7063 -4.7063 -4.3316 -4.3316 -3.9843 -3.9843 -3.5664 -3.5664 -3.5461 -3.5461 -3.4600 -3.4600 1.2489 1.2489 1.6542 1.6542 3.4579 3.4579 4.1442 4.1442 4.6551 4.6551 4.9711 4.9711 5.2020 5.2020 5.5456 5.5456 6.0804 6.0804 7.2220 7.2220 9.7407 9.7407 9.8033 9.8033 10.0874 10.0874 11.2494 11.2494 k = 0.1719 0.1425-0.0000 ( 3907 PWs) bands (ev): -19.9851 -19.9851 -19.9294 -19.9294 -6.4138 -6.4138 -5.2072 -5.2072 -4.7177 -4.7177 -4.3372 -4.3372 -3.9990 -3.9990 -3.5712 -3.5712 -3.5504 -3.5504 -3.4611 -3.4611 1.2520 1.2520 1.6566 1.6566 3.4622 3.4622 4.1767 4.1767 4.6559 4.6559 4.9691 4.9691 5.1992 5.1992 5.5555 5.5555 6.0852 6.0852 7.2253 7.2253 9.7027 9.7027 9.7924 9.7924 10.0407 10.0407 11.2530 11.2530 k = 0.1562 0.1296-0.0000 ( 3907 PWs) bands (ev): -19.9858 -19.9858 -19.9286 -19.9286 -6.4047 -6.4047 -5.1907 -5.1907 -4.7285 -4.7285 -4.3430 -4.3430 -4.0130 -4.0130 -3.5760 -3.5760 -3.5544 -3.5544 -3.4621 -3.4621 1.2549 1.2549 1.6590 1.6590 3.4664 3.4664 4.2090 4.2090 4.6561 4.6561 4.9667 4.9667 5.1966 5.1966 5.5649 5.5649 6.0898 6.0898 7.2284 7.2284 9.6647 9.6647 9.7856 9.7856 9.9962 9.9962 11.2561 11.2561 k = 0.1406 0.1166-0.0000 ( 3911 PWs) bands (ev): -19.9865 -19.9865 -19.9280 -19.9280 -6.3962 -6.3962 -5.1745 -5.1745 -4.7386 -4.7386 -4.3489 -4.3489 -4.0261 -4.0261 -3.5809 -3.5809 -3.5581 -3.5581 -3.4630 -3.4630 1.2576 1.2576 1.6613 1.6613 3.4703 3.4703 4.2406 4.2406 4.6557 4.6557 4.9641 4.9641 5.1941 5.1941 5.5740 5.5740 6.0940 6.0940 7.2312 7.2312 9.6294 9.6294 9.7802 9.7802 9.9543 9.9543 11.2586 11.2586 k = 0.1250 0.1036-0.0000 ( 3915 PWs) bands (ev): -19.9872 -19.9872 -19.9274 -19.9274 -6.3884 -6.3884 -5.1587 -5.1587 -4.7481 -4.7481 -4.3548 -4.3548 -4.0382 -4.0382 -3.5858 -3.5858 -3.5614 -3.5614 -3.4639 -3.4639 1.2601 1.2601 1.6635 1.6635 3.4738 3.4738 4.2712 4.2712 4.6545 4.6545 4.9612 4.9612 5.1918 5.1918 5.5824 5.5824 6.0979 6.0979 7.2337 7.2337 9.5979 9.5979 9.7753 9.7753 9.9151 9.9151 11.2606 11.2606 k = 0.1094 0.0907-0.0000 ( 3921 PWs) bands (ev): -19.9877 -19.9877 -19.9268 -19.9268 -6.3813 -6.3813 -5.1437 -5.1437 -4.7570 -4.7570 -4.3605 -4.3605 -4.0491 -4.0491 -3.5906 -3.5906 -3.5642 -3.5642 -3.4648 -3.4648 1.2623 1.2623 1.6655 1.6655 3.4771 3.4771 4.3004 4.3004 4.6526 4.6526 4.9581 4.9581 5.1896 5.1896 5.5900 5.5900 6.1015 6.1015 7.2360 7.2360 9.5705 9.5705 9.7704 9.7704 9.8794 9.8794 11.2621 11.2621 k = 0.0938 0.0777-0.0000 ( 3915 PWs) bands (ev): -19.9882 -19.9882 -19.9263 -19.9263 -6.3751 -6.3751 -5.1296 -5.1296 -4.7651 -4.7651 -4.3659 -4.3659 -4.0588 -4.0588 -3.5950 -3.5950 -3.5665 -3.5665 -3.4655 -3.4655 1.2642 1.2642 1.6673 1.6673 3.4800 3.4800 4.3278 4.3278 4.6500 4.6500 4.9551 4.9551 5.1877 5.1877 5.5969 5.5969 6.1046 6.1046 7.2380 7.2380 9.5475 9.5475 9.7650 9.7650 9.8480 9.8480 11.2632 11.2632 k = 0.0781 0.0648-0.0000 ( 3925 PWs) bands (ev): -19.9887 -19.9887 -19.9259 -19.9259 -6.3696 -6.3696 -5.1168 -5.1168 -4.7724 -4.7724 -4.3707 -4.3707 -4.0672 -4.0672 -3.5991 -3.5991 -3.5685 -3.5685 -3.4661 -3.4661 1.2659 1.2659 1.6689 1.6689 3.4825 3.4825 4.3528 4.3528 4.6469 4.6469 4.9521 4.9521 5.1861 5.1861 5.6028 5.6028 6.1073 6.1073 7.2396 7.2396 9.5287 9.5287 9.7583 9.7583 9.8221 9.8221 11.2639 11.2639 k = 0.0625 0.0518-0.0000 ( 3929 PWs) bands (ev): -19.9890 -19.9890 -19.9256 -19.9256 -6.3652 -6.3652 -5.1056 -5.1056 -4.7788 -4.7788 -4.3750 -4.3750 -4.0741 -4.0741 -3.6026 -3.6026 -3.5700 -3.5700 -3.4667 -3.4667 1.2673 1.2673 1.6702 1.6702 3.4846 3.4846 4.3748 4.3748 4.6433 4.6433 4.9495 4.9495 5.1847 5.1847 5.6078 5.6078 6.1096 6.1096 7.2410 7.2410 9.5140 9.5140 9.7494 9.7494 9.8031 9.8031 11.2644 11.2644 k = 0.0469 0.0389-0.0000 ( 3925 PWs) bands (ev): -19.9893 -19.9893 -19.9254 -19.9254 -6.3616 -6.3616 -5.0965 -5.0965 -4.7840 -4.7840 -4.3784 -4.3784 -4.0797 -4.0797 -3.6055 -3.6055 -3.5712 -3.5712 -3.4671 -3.4671 1.2683 1.2683 1.6712 1.6712 3.4863 3.4863 4.3932 4.3932 4.6398 4.6398 4.9472 4.9472 5.1836 5.1836 5.6117 5.6117 6.1114 6.1114 7.2420 7.2420 9.5030 9.5030 9.7386 9.7386 9.7914 9.7914 11.2646 11.2646 k = 0.0312 0.0259-0.0000 ( 3921 PWs) bands (ev): -19.9895 -19.9895 -19.9252 -19.9252 -6.3591 -6.3591 -5.0896 -5.0896 -4.7880 -4.7880 -4.3809 -4.3809 -4.0836 -4.0836 -3.6076 -3.6076 -3.5720 -3.5720 -3.4674 -3.4674 1.2691 1.2691 1.6720 1.6720 3.4874 3.4874 4.4071 4.4071 4.6367 4.6367 4.9455 4.9455 5.1828 5.1828 5.6145 5.6145 6.1126 6.1126 7.2428 7.2428 9.4956 9.4956 9.7284 9.7284 9.7850 9.7850 11.2647 11.2647 k = 0.0156 0.0130-0.0000 ( 3919 PWs) bands (ev): -19.9896 -19.9896 -19.9251 -19.9251 -6.3575 -6.3575 -5.0853 -5.0853 -4.7904 -4.7904 -4.3825 -4.3825 -4.0860 -4.0860 -3.6089 -3.6089 -3.5725 -3.5725 -3.4676 -3.4676 1.2696 1.2696 1.6725 1.6725 3.4882 3.4882 4.4159 4.4159 4.6345 4.6345 4.9444 4.9444 5.1823 5.1823 5.6162 5.6162 6.1134 6.1134 7.2432 7.2432 9.4912 9.4912 9.7213 9.7213 9.7819 9.7819 11.2648 11.2648 k = 0.0000 0.0000 0.0000 ( 3923 PWs) bands (ev): -19.9897 -19.9897 -19.9250 -19.9250 -6.3570 -6.3570 -5.0839 -5.0839 -4.7912 -4.7912 -4.3830 -4.3830 -4.0868 -4.0868 -3.6093 -3.6093 -3.5727 -3.5727 -3.4677 -3.4677 1.2697 1.2697 1.6726 1.6726 3.4884 3.4884 4.4189 4.4189 4.6338 4.6338 4.9440 4.9440 5.1822 5.1822 5.6168 5.6168 6.1137 6.1137 7.2434 7.2434 9.4898 9.4898 9.7188 9.7188 9.7809 9.7809 11.2648 11.2648 k = 0.0000 0.0000 0.0000 ( 3923 PWs) bands (ev): -19.9897 -19.9897 -19.9250 -19.9250 -6.3570 -6.3570 -5.0839 -5.0839 -4.7912 -4.7912 -4.3830 -4.3830 -4.0868 -4.0868 -3.6093 -3.6093 -3.5727 -3.5727 -3.4677 -3.4677 1.2697 1.2697 1.6726 1.6726 3.4884 3.4884 4.4189 4.4189 4.6338 4.6338 4.9440 4.9440 5.1822 5.1822 5.6168 5.6168 6.1137 6.1137 7.2434 7.2434 9.4898 9.4898 9.7188 9.7188 9.7809 9.7809 11.2648 11.2648 k = 0.0114-0.0138 0.0089 ( 3925 PWs) bands (ev): -19.9896 -19.9896 -19.9250 -19.9250 -6.3574 -6.3574 -5.0851 -5.0851 -4.7896 -4.7896 -4.3834 -4.3834 -4.0859 -4.0859 -3.6096 -3.6096 -3.5726 -3.5726 -3.4680 -3.4680 1.2701 1.2701 1.6730 1.6730 3.4878 3.4878 4.4191 4.4191 4.6335 4.6335 4.9443 4.9443 5.1821 5.1821 5.6169 5.6169 6.1103 6.1103 7.2420 7.2420 9.4938 9.4938 9.7216 9.7216 9.7813 9.7813 11.2619 11.2619 k = 0.0228-0.0275 0.0178 ( 3923 PWs) bands (ev): -19.9895 -19.9895 -19.9251 -19.9251 -6.3585 -6.3585 -5.0885 -5.0885 -4.7847 -4.7847 -4.3843 -4.3843 -4.0832 -4.0832 -3.6105 -3.6105 -3.5721 -3.5721 -3.4690 -3.4690 1.2712 1.2712 1.6742 1.6742 3.4858 3.4858 4.4195 4.4195 4.6327 4.6327 4.9450 4.9450 5.1821 5.1821 5.6172 5.6172 6.1001 6.1001 7.2378 7.2378 9.5058 9.5058 9.7300 9.7300 9.7824 9.7824 11.2536 11.2536 k = 0.0342-0.0413 0.0266 ( 3939 PWs) bands (ev): -19.9894 -19.9894 -19.9253 -19.9253 -6.3603 -6.3603 -5.0939 -5.0939 -4.7769 -4.7769 -4.3860 -4.3860 -4.0787 -4.0787 -3.6119 -3.6119 -3.5714 -3.5714 -3.4705 -3.4705 1.2730 1.2730 1.6762 1.6762 3.4827 3.4827 4.4203 4.4203 4.6314 4.6314 4.9463 4.9463 5.1821 5.1821 5.6176 5.6176 6.0836 6.0836 7.2309 7.2309 9.5252 9.5252 9.7435 9.7435 9.7847 9.7847 11.2406 11.2406 k = 0.0456-0.0550 0.0355 ( 3935 PWs) bands (ev): -19.9891 -19.9891 -19.9255 -19.9255 -6.3629 -6.3629 -5.1008 -5.1008 -4.7666 -4.7666 -4.3882 -4.3882 -4.0725 -4.0725 -3.6140 -3.6140 -3.5703 -3.5703 -3.4726 -3.4726 1.2754 1.2754 1.6790 1.6790 3.4783 3.4783 4.4212 4.4212 4.6296 4.6296 4.9481 4.9481 5.1821 5.1821 5.6182 5.6182 6.0612 6.0612 7.2215 7.2215 9.5515 9.5515 9.7602 9.7602 9.7901 9.7901 11.2240 11.2240 k = 0.0570-0.0688 0.0444 ( 3927 PWs) bands (ev): -19.9889 -19.9889 -19.9258 -19.9258 -6.3661 -6.3661 -5.1089 -5.1089 -4.7542 -4.7542 -4.3911 -4.3911 -4.0646 -4.0646 -3.6166 -3.6166 -3.5690 -3.5690 -3.4751 -3.4751 1.2784 1.2784 1.6824 1.6824 3.4728 3.4728 4.4223 4.4223 4.6274 4.6274 4.9504 4.9504 5.1821 5.1821 5.6187 5.6187 6.0337 6.0337 7.2099 7.2099 9.5836 9.5836 9.7745 9.7745 9.8040 9.8040 11.2050 11.2050 k = 0.0685-0.0826 0.0533 ( 3924 PWs) bands (ev): -19.9885 -19.9885 -19.9261 -19.9261 -6.3700 -6.3700 -5.1178 -5.1178 -4.7402 -4.7402 -4.3945 -4.3945 -4.0552 -4.0552 -3.6199 -3.6199 -3.5674 -3.5674 -3.4779 -3.4779 1.2818 1.2818 1.6865 1.6865 3.4663 3.4663 4.4233 4.4233 4.6246 4.6246 4.9533 4.9533 5.1821 5.1821 5.6191 5.6191 6.0019 6.0019 7.1962 7.1962 9.6202 9.6202 9.7831 9.7831 9.8302 9.8302 11.1849 11.1849 k = 0.0799-0.0963 0.0621 ( 3920 PWs) bands (ev): -19.9881 -19.9881 -19.9265 -19.9265 -6.3746 -6.3746 -5.1271 -5.1271 -4.7250 -4.7250 -4.3985 -4.3985 -4.0442 -4.0442 -3.6237 -3.6237 -3.5655 -3.5655 -3.4810 -3.4810 1.2856 1.2856 1.6912 1.6912 3.4589 3.4589 4.4242 4.4242 4.6214 4.6214 4.9567 4.9567 5.1821 5.1821 5.6191 5.6191 5.9668 5.9668 7.1808 7.1808 9.6590 9.6590 9.7913 9.7913 9.8641 9.8641 11.1651 11.1651 k = 0.0913-0.1101 0.0710 ( 3920 PWs) bands (ev): -19.9876 -19.9876 -19.9270 -19.9270 -6.3797 -6.3797 -5.1366 -5.1366 -4.7089 -4.7089 -4.4030 -4.4030 -4.0317 -4.0317 -3.6282 -3.6282 -3.5633 -3.5633 -3.4841 -3.4841 1.2896 1.2896 1.6963 1.6963 3.4506 3.4506 4.4248 4.4248 4.6179 4.6179 4.9607 4.9607 5.1822 5.1822 5.6183 5.6183 5.9295 5.9295 7.1640 7.1640 9.6963 9.6963 9.8041 9.8041 9.9033 9.9033 11.1467 11.1467 k = 0.1027-0.1238 0.0799 ( 3926 PWs) bands (ev): -19.9871 -19.9871 -19.9275 -19.9275 -6.3855 -6.3855 -5.1460 -5.1460 -4.6922 -4.6922 -4.4080 -4.4080 -4.0180 -4.0180 -3.6332 -3.6332 -3.5609 -3.5609 -3.4873 -3.4873 1.2937 1.2937 1.7019 1.7019 3.4416 3.4416 4.4248 4.4248 4.6140 4.6140 4.9653 4.9653 5.1822 5.1822 5.6162 5.6162 5.8913 5.8913 7.1463 7.1463 9.7259 9.7259 9.8270 9.8270 9.9467 9.9467 11.1306 11.1306 k = 0.1141-0.1376 0.0888 ( 3926 PWs) bands (ev): -19.9866 -19.9866 -19.9280 -19.9280 -6.3918 -6.3918 -5.1551 -5.1551 -4.6752 -4.6752 -4.4135 -4.4135 -4.0031 -4.0031 -3.6387 -3.6387 -3.5582 -3.5582 -3.4903 -3.4903 1.2979 1.2979 1.7076 1.7076 3.4321 3.4321 4.4241 4.4241 4.6099 4.6099 4.9705 4.9705 5.1824 5.1824 5.6119 5.6119 5.8540 5.8540 7.1279 7.1279 9.7441 9.7441 9.8631 9.8631 9.9936 9.9936 11.1178 11.1178 k = 0.1255-0.1513 0.0976 ( 3926 PWs) bands (ev): -19.9859 -19.9859 -19.9286 -19.9286 -6.3985 -6.3985 -5.1640 -5.1640 -4.6579 -4.6579 -4.4194 -4.4194 -3.9872 -3.9872 -3.6446 -3.6446 -3.5553 -3.5553 -3.4931 -3.4931 1.3019 1.3019 1.7135 1.7135 3.4221 3.4221 4.4225 4.4225 4.6056 4.6056 4.9764 4.9764 5.1825 5.1825 5.6041 5.6041 5.8195 5.8195 7.1093 7.1093 9.7541 9.7541 9.9084 9.9084 10.0435 10.0435 11.1086 11.1086 k = 0.1369-0.1651 0.1065 ( 3918 PWs) bands (ev): -19.9853 -19.9853 -19.9293 -19.9293 -6.4057 -6.4057 -5.1726 -5.1726 -4.6407 -4.6407 -4.4256 -4.4256 -3.9703 -3.9703 -3.6508 -3.6508 -3.5522 -3.5522 -3.4956 -3.4956 1.3057 1.3057 1.7192 1.7192 3.4118 3.4118 4.4197 4.4197 4.6014 4.6014 4.9830 4.9830 5.1827 5.1827 5.5913 5.5913 5.7900 5.7900 7.0910 7.0910 9.7599 9.7599 9.9580 9.9580 10.0958 10.0958 11.1036 11.1036 k = 0.1483-0.1789 0.1154 ( 3914 PWs) bands (ev): -19.9846 -19.9846 -19.9299 -19.9299 -6.4132 -6.4132 -5.1808 -5.1808 -4.6235 -4.6235 -4.4321 -4.4321 -3.9527 -3.9527 -3.6573 -3.6573 -3.5489 -3.5489 -3.4979 -3.4979 1.3092 1.3092 1.7247 1.7247 3.4013 3.4013 4.4154 4.4154 4.5972 4.5972 4.9903 4.9903 5.1828 5.1828 5.5723 5.5723 5.7674 5.7674 7.0731 7.0731 9.7636 9.7636 10.0090 10.0090 10.1500 10.1500 11.1026 11.1026 k = 0.1597-0.1926 0.1243 ( 3914 PWs) bands (ev): -19.9838 -19.9838 -19.9307 -19.9307 -6.4210 -6.4210 -5.1887 -5.1887 -4.6064 -4.6064 -4.4389 -4.4389 -3.9345 -3.9345 -3.6638 -3.6638 -3.5454 -3.5454 -3.4998 -3.4998 1.3123 1.3123 1.7298 1.7298 3.3908 3.3908 4.4095 4.4095 4.5933 4.5933 4.9983 4.9983 5.1829 5.1829 5.5470 5.5470 5.7523 5.7523 7.0561 7.0561 9.7664 9.7664 10.0600 10.0600 10.2056 10.2056 11.1055 11.1055 k = 0.1711-0.2064 0.1331 ( 3912 PWs) bands (ev): -19.9830 -19.9830 -19.9314 -19.9314 -6.4291 -6.4291 -5.1962 -5.1962 -4.5896 -4.5896 -4.4458 -4.4458 -3.9159 -3.9159 -3.6701 -3.6701 -3.5418 -3.5418 -3.5013 -3.5013 1.3150 1.3150 1.7343 1.7343 3.3803 3.3803 4.4018 4.4018 4.5898 4.5898 5.0071 5.0071 5.1829 5.1829 5.5170 5.5170 5.7436 5.7436 7.0402 7.0402 9.7685 9.7685 10.1101 10.1101 10.2623 10.2623 11.1116 11.1116 k = 0.1825-0.2201 0.1420 ( 3920 PWs) bands (ev): -19.9822 -19.9822 -19.9322 -19.9322 -6.4374 -6.4374 -5.2036 -5.2036 -4.5731 -4.5731 -4.4527 -4.4527 -3.8971 -3.8971 -3.6763 -3.6763 -3.5380 -3.5380 -3.5024 -3.5024 1.3171 1.3171 1.7381 1.7381 3.3700 3.3700 4.3920 4.3920 4.5867 4.5867 5.0166 5.0166 5.1827 5.1827 5.4845 5.4845 5.7397 5.7397 7.0258 7.0258 9.7704 9.7704 10.1588 10.1588 10.3195 10.3195 11.1202 11.1202 k = 0.1939-0.2339 0.1509 ( 3918 PWs) bands (ev): -19.9814 -19.9814 -19.9330 -19.9330 -6.4457 -6.4457 -5.2108 -5.2108 -4.5570 -4.5570 -4.4596 -4.4596 -3.8783 -3.8783 -3.6819 -3.6819 -3.5343 -3.5343 -3.5031 -3.5031 1.3187 1.3187 1.7410 1.7410 3.3601 3.3601 4.3801 4.3801 4.5843 4.5843 5.0269 5.0269 5.1822 5.1822 5.4514 5.4514 5.7392 5.7392 7.0130 7.0130 9.7720 9.7720 10.2059 10.2059 10.3771 10.3771 11.1303 11.1303 k = 0.2054-0.2477 0.1598 ( 3916 PWs) bands (ev): -19.9805 -19.9805 -19.9338 -19.9338 -6.4541 -6.4541 -5.2180 -5.2180 -4.5412 -4.5412 -4.4663 -4.4663 -3.8597 -3.8597 -3.6870 -3.6870 -3.5306 -3.5306 -3.5034 -3.5034 1.3196 1.3196 1.7428 1.7428 3.3506 3.3506 4.3660 4.3660 4.5824 4.5824 5.0379 5.0379 5.1811 5.1811 5.4193 5.4193 5.7410 5.7410 7.0021 7.0021 9.7736 9.7736 10.2515 10.2515 10.4344 10.4344 11.1409 11.1409 k = 0.2168-0.2614 0.1686 ( 3912 PWs) bands (ev): -19.9797 -19.9797 -19.9347 -19.9347 -6.4625 -6.4625 -5.2252 -5.2252 -4.5258 -4.5258 -4.4727 -4.4727 -3.8416 -3.8416 -3.6913 -3.6913 -3.5270 -3.5270 -3.5030 -3.5030 1.3199 1.3199 1.7435 1.7435 3.3416 3.3416 4.3497 4.3497 4.5810 4.5810 5.0495 5.0495 5.1792 5.1792 5.3894 5.3894 5.7445 5.7445 6.9932 6.9932 9.7752 9.7752 10.2958 10.2958 10.4911 10.4911 11.1511 11.1511 k = 0.2282-0.2752 0.1775 ( 3910 PWs) bands (ev): -19.9788 -19.9788 -19.9355 -19.9355 -6.4708 -6.4708 -5.2326 -5.2326 -4.5110 -4.5110 -4.4786 -4.4786 -3.8243 -3.8243 -3.6944 -3.6944 -3.5238 -3.5238 -3.5020 -3.5020 1.3195 1.3195 1.7431 1.7431 3.3332 3.3332 4.3312 4.3312 4.5803 4.5803 5.0615 5.0615 5.1761 5.1761 5.3627 5.3627 5.7493 5.7493 6.9864 6.9864 9.7768 9.7768 10.3393 10.3393 10.5464 10.5464 11.1602 11.1602 k = 0.2396-0.2889 0.1864 ( 3904 PWs) bands (ev): -19.9779 -19.9779 -19.9364 -19.9364 -6.4790 -6.4790 -5.2402 -5.2402 -4.4971 -4.4971 -4.4835 -4.4835 -3.8082 -3.8082 -3.6962 -3.6962 -3.5210 -3.5210 -3.5003 -3.5003 1.3184 1.3184 1.7415 1.7415 3.3255 3.3255 4.3107 4.3107 4.5800 4.5800 5.0738 5.0738 5.1714 5.1714 5.3403 5.3403 5.7551 5.7551 6.9818 6.9818 9.7786 9.7786 10.3821 10.3821 10.5996 10.5996 11.1679 11.1679 k = 0.2510-0.3027 0.1953 ( 3904 PWs) bands (ev): -19.9770 -19.9770 -19.9373 -19.9373 -6.4869 -6.4869 -5.2481 -5.2481 -4.4911 -4.4911 -4.4803 -4.4803 -3.7936 -3.7936 -3.6963 -3.6963 -3.5186 -3.5186 -3.4979 -3.4979 1.3166 1.3166 1.7387 1.7387 3.3187 3.3187 4.2882 4.2882 4.5803 4.5803 5.0857 5.0857 5.1652 5.1652 5.3227 5.3227 5.7619 5.7619 6.9793 6.9793 9.7805 9.7805 10.4248 10.4248 10.6498 10.6498 11.1741 11.1741 k = 0.2624-0.3164 0.2041 ( 3906 PWs) bands (ev): -19.9761 -19.9761 -19.9381 -19.9381 -6.4947 -6.4947 -5.2564 -5.2564 -4.4945 -4.4945 -4.4676 -4.4676 -3.7812 -3.7812 -3.6942 -3.6942 -3.5167 -3.5167 -3.4948 -3.4948 1.3141 1.3141 1.7348 1.7348 3.3128 3.3128 4.2639 4.2639 4.5809 4.5809 5.0962 5.0962 5.1582 5.1582 5.3104 5.3104 5.7695 5.7695 6.9791 6.9791 9.7826 9.7826 10.4676 10.4676 10.6962 10.6962 11.1789 11.1789 k = 0.2738-0.3302 0.2130 ( 3908 PWs) bands (ev): -19.9752 -19.9752 -19.9390 -19.9390 -6.5021 -6.5021 -5.2651 -5.2651 -4.4979 -4.4979 -4.4546 -4.4546 -3.7712 -3.7712 -3.6897 -3.6897 -3.5152 -3.5152 -3.4912 -3.4912 1.3108 1.3108 1.7299 1.7299 3.3078 3.3078 4.2379 4.2379 4.5818 4.5818 5.1029 5.1029 5.1529 5.1529 5.3031 5.3031 5.7779 5.7779 6.9809 6.9809 9.7849 9.7849 10.5107 10.5107 10.7376 10.7376 11.1826 11.1826 k = 0.2852-0.3440 0.2219 ( 3906 PWs) bands (ev): -19.9743 -19.9743 -19.9399 -19.9399 -6.5093 -6.5093 -5.2742 -5.2742 -4.5006 -4.5006 -4.4420 -4.4420 -3.7636 -3.7636 -3.6828 -3.6828 -3.5138 -3.5138 -3.4873 -3.4873 1.3068 1.3068 1.7241 1.7241 3.3039 3.3039 4.2104 4.2104 4.5830 4.5830 5.1020 5.1020 5.1534 5.1534 5.3003 5.3003 5.7872 5.7872 6.9848 6.9848 9.7875 9.7875 10.5543 10.5543 10.7730 10.7730 11.1855 11.1855 k = 0.2966-0.3577 0.2308 ( 3918 PWs) bands (ev): -19.9734 -19.9734 -19.9407 -19.9407 -6.5161 -6.5161 -5.2837 -5.2837 -4.5025 -4.5025 -4.4299 -4.4299 -3.7581 -3.7581 -3.6740 -3.6740 -3.5125 -3.5125 -3.4833 -3.4833 1.3021 1.3021 1.7175 1.7175 3.3011 3.3011 4.1816 4.1816 4.5844 4.5844 5.0938 5.0938 5.1599 5.1599 5.3011 5.3011 5.7973 5.7973 6.9906 6.9906 9.7904 9.7904 10.5983 10.5983 10.8011 10.8011 11.1880 11.1880 k = 0.3080-0.3715 0.2396 ( 3922 PWs) bands (ev): -19.9726 -19.9726 -19.9415 -19.9415 -6.5225 -6.5225 -5.2937 -5.2937 -4.5037 -4.5037 -4.4182 -4.4182 -3.7540 -3.7540 -3.6641 -3.6641 -3.5112 -3.5112 -3.4793 -3.4793 1.2968 1.2968 1.7104 1.7104 3.2995 3.2995 4.1518 4.1518 4.5860 4.5860 5.0821 5.0821 5.1690 5.1690 5.3051 5.3051 5.8083 5.8083 6.9982 6.9982 9.7935 9.7935 10.6428 10.6428 10.8212 10.8212 11.1903 11.1903 k = 0.3194-0.3852 0.2485 ( 3928 PWs) bands (ev): -19.9717 -19.9717 -19.9423 -19.9423 -6.5285 -6.5285 -5.3039 -5.3039 -4.5041 -4.5041 -4.4072 -4.4072 -3.7507 -3.7507 -3.6536 -3.6536 -3.5099 -3.5099 -3.4755 -3.4755 1.2908 1.2908 1.7029 1.7029 3.2990 3.2990 4.1210 4.1210 4.5877 4.5877 5.0694 5.0694 5.1786 5.1786 5.3114 5.3114 5.8201 5.8201 7.0073 7.0073 9.7968 9.7968 10.6876 10.6876 10.8325 10.8325 11.1927 11.1927 k = 0.3308-0.3990 0.2574 ( 3920 PWs) bands (ev): -19.9709 -19.9709 -19.9431 -19.9431 -6.5341 -6.5341 -5.3144 -5.3144 -4.5038 -4.5038 -4.3966 -4.3966 -3.7479 -3.7479 -3.6431 -3.6431 -3.5086 -3.5086 -3.4718 -3.4718 1.2843 1.2843 1.6952 1.6952 3.2998 3.2998 4.0895 4.0895 4.5894 4.5894 5.0566 5.0566 5.1878 5.1878 5.3197 5.3197 5.8327 5.8327 7.0177 7.0177 9.8004 9.8004 10.7326 10.7326 10.8350 10.8350 11.1952 11.1952 k = 0.3423-0.4128 0.2663 ( 3916 PWs) bands (ev): -19.9702 -19.9702 -19.9438 -19.9438 -6.5393 -6.5393 -5.3250 -5.3250 -4.5028 -4.5028 -4.3867 -4.3867 -3.7452 -3.7452 -3.6330 -3.6330 -3.5071 -3.5071 -3.4683 -3.4683 1.2772 1.2772 1.6874 1.6874 3.3018 3.3018 4.0576 4.0576 4.5912 4.5912 5.0444 5.0444 5.1961 5.1961 5.3292 5.3292 5.8462 5.8462 7.0293 7.0293 9.8043 9.8043 10.7774 10.7774 10.8289 10.8289 11.1979 11.1979 k = 0.3537-0.4265 0.2751 ( 3930 PWs) bands (ev): -19.9694 -19.9694 -19.9446 -19.9446 -6.5441 -6.5441 -5.3357 -5.3357 -4.5013 -4.5013 -4.3774 -4.3774 -3.7425 -3.7425 -3.6233 -3.6233 -3.5056 -3.5056 -3.4653 -3.4653 1.2698 1.2698 1.6797 1.6797 3.3050 3.3050 4.0255 4.0255 4.5929 4.5929 5.0330 5.0330 5.2036 5.2036 5.3397 5.3397 5.8604 5.8604 7.0418 7.0418 9.8083 9.8083 10.8124 10.8124 10.8250 10.8250 11.2005 11.2005 k = 0.3651-0.4403 0.2840 ( 3934 PWs) bands (ev): -19.9687 -19.9687 -19.9452 -19.9452 -6.5484 -6.5484 -5.3463 -5.3463 -4.4993 -4.4993 -4.3687 -4.3687 -3.7397 -3.7397 -3.6143 -3.6143 -3.5039 -3.5039 -3.4626 -3.4626 1.2622 1.2622 1.6722 1.6722 3.3095 3.3095 3.9934 3.9934 4.5946 4.5946 5.0224 5.0224 5.2101 5.2101 5.3505 5.3505 5.8752 5.8752 7.0548 7.0548 9.8124 9.8124 10.7940 10.7940 10.8677 10.8677 11.2028 11.2028 k = 0.3765-0.4540 0.2929 ( 3930 PWs) bands (ev): -19.9681 -19.9681 -19.9459 -19.9459 -6.5523 -6.5523 -5.3566 -5.3566 -4.4970 -4.4970 -4.3607 -4.3607 -3.7367 -3.7367 -3.6061 -3.6061 -3.5021 -3.5021 -3.4603 -3.4603 1.2544 1.2544 1.6651 1.6651 3.3152 3.3152 3.9615 3.9615 4.5962 4.5962 5.0129 5.0129 5.2159 5.2159 5.3612 5.3612 5.8904 5.8904 7.0682 7.0682 9.8165 9.8165 10.7692 10.7692 10.9117 10.9117 11.2046 11.2046 k = 0.3879-0.4678 0.3018 ( 3926 PWs) bands (ev): -19.9675 -19.9675 -19.9464 -19.9464 -6.5558 -6.5558 -5.3666 -5.3666 -4.4944 -4.4944 -4.3533 -4.3533 -3.7337 -3.7337 -3.5987 -3.5987 -3.5001 -3.5001 -3.4585 -3.4585 1.2466 1.2466 1.6584 1.6584 3.3219 3.3219 3.9302 3.9302 4.5977 4.5977 5.0042 5.0042 5.2209 5.2209 5.3715 5.3715 5.9058 5.9058 7.0817 7.0817 9.8207 9.8207 10.7411 10.7411 10.9552 10.9552 11.2055 11.2055 k = 0.3879-0.4678 0.3018 ( 3926 PWs) bands (ev): -19.9675 -19.9675 -19.9464 -19.9464 -6.5558 -6.5558 -5.3666 -5.3666 -4.4944 -4.4944 -4.3533 -4.3533 -3.7337 -3.7337 -3.5987 -3.5987 -3.5001 -3.5001 -3.4585 -3.4585 1.2466 1.2466 1.6584 1.6584 3.3219 3.3219 3.9302 3.9302 4.5977 4.5977 5.0042 5.0042 5.2209 5.2209 5.3715 5.3715 5.9058 5.9058 7.0817 7.0817 9.8207 9.8207 10.7411 10.7411 10.9552 10.9552 11.2055 11.2055 k = 0.3935-0.4491 0.2964 ( 3929 PWs) bands (ev): -19.9679 -19.9679 -19.9460 -19.9460 -6.5534 -6.5534 -5.3603 -5.3603 -4.4967 -4.4967 -4.3575 -4.3575 -3.7362 -3.7362 -3.6026 -3.6026 -3.5014 -3.5014 -3.4596 -3.4596 1.2513 1.2513 1.6624 1.6624 3.3179 3.3179 3.9494 3.9494 4.5969 4.5969 5.0094 5.0094 5.2179 5.2179 5.3657 5.3657 5.8964 5.8964 7.0737 7.0737 9.8181 9.8181 10.7517 10.7517 10.9344 10.9344 11.2055 11.2055 k = 0.3991-0.4304 0.2910 ( 3926 PWs) bands (ev): -19.9684 -19.9684 -19.9456 -19.9456 -6.5505 -6.5505 -5.3535 -5.3535 -4.5001 -4.5001 -4.3616 -4.3616 -3.7400 -3.7400 -3.6061 -3.6061 -3.5026 -3.5026 -3.4611 -3.4611 1.2563 1.2563 1.6667 1.6667 3.3146 3.3146 3.9693 3.9693 4.5965 4.5965 5.0151 5.0151 5.2147 5.2147 5.3604 5.3604 5.8866 5.8866 7.0660 7.0660 9.8154 9.8154 10.7449 10.7449 10.9284 10.9284 11.2059 11.2059 k = 0.4047-0.4118 0.2857 ( 3925 PWs) bands (ev): -19.9690 -19.9690 -19.9450 -19.9450 -6.5469 -6.5469 -5.3462 -5.3462 -4.5045 -4.5045 -4.3657 -4.3657 -3.7446 -3.7446 -3.6094 -3.6094 -3.5038 -3.5038 -3.4628 -3.4628 1.2613 1.2613 1.6713 1.6713 3.3120 3.3120 3.9897 3.9897 4.5964 4.5964 5.0213 5.0213 5.2112 5.2112 5.3558 5.3558 5.8762 5.8762 7.0587 7.0587 9.8126 9.8126 10.7214 10.7214 10.9372 10.9372 11.2063 11.2063 k = 0.4103-0.3931 0.2803 ( 3930 PWs) bands (ev): -19.9696 -19.9696 -19.9444 -19.9444 -6.5429 -6.5429 -5.3385 -5.3385 -4.5096 -4.5096 -4.3699 -4.3699 -3.7499 -3.7499 -3.6126 -3.6126 -3.5049 -3.5049 -3.4647 -3.4647 1.2664 1.2664 1.6761 1.6761 3.3101 3.3101 4.0102 4.0102 4.5965 4.5965 5.0279 5.0279 5.2076 5.2076 5.3521 5.3521 5.8653 5.8653 7.0518 7.0518 9.8097 9.8097 10.6878 10.6878 10.9544 10.9544 11.2064 11.2064 k = 0.4159-0.3744 0.2750 ( 3932 PWs) bands (ev): -19.9703 -19.9703 -19.9437 -19.9437 -6.5383 -6.5383 -5.3306 -5.3306 -4.5151 -4.5151 -4.3743 -4.3743 -3.7555 -3.7555 -3.6161 -3.6161 -3.5057 -3.5057 -3.4668 -3.4668 1.2715 1.2715 1.6812 1.6812 3.3089 3.3089 4.0306 4.0306 4.5970 4.5970 5.0350 5.0350 5.2039 5.2039 5.3494 5.3494 5.8535 5.8535 7.0454 7.0454 9.8069 9.8069 10.6497 10.6497 10.9747 10.9747 11.2060 11.2060 k = 0.4215-0.3557 0.2696 ( 3923 PWs) bands (ev): -19.9709 -19.9709 -19.9431 -19.9431 -6.5334 -6.5334 -5.3226 -5.3226 -4.5208 -4.5208 -4.3791 -4.3791 -3.7612 -3.7612 -3.6200 -3.6200 -3.5063 -3.5063 -3.4690 -3.4690 1.2765 1.2765 1.6863 1.6863 3.3082 3.3082 4.0504 4.0504 4.5977 4.5977 5.0424 5.0424 5.2003 5.2003 5.3479 5.3479 5.8409 5.8409 7.0395 7.0395 9.8041 9.8041 10.6102 10.6102 10.9949 10.9949 11.2048 11.2048 k = 0.4271-0.3370 0.2642 ( 3923 PWs) bands (ev): -19.9716 -19.9716 -19.9424 -19.9424 -6.5281 -6.5281 -5.3146 -5.3146 -4.5263 -4.5263 -4.3844 -4.3844 -3.7668 -3.7668 -3.6244 -3.6244 -3.5065 -3.5065 -3.4713 -3.4713 1.2814 1.2814 1.6916 1.6916 3.3081 3.3081 4.0695 4.0695 4.5986 4.5986 5.0500 5.0500 5.1968 5.1968 5.3479 5.3479 5.8273 5.8273 7.0341 7.0341 9.8014 9.8014 10.5709 10.5709 11.0132 11.0132 11.2027 11.2027 k = 0.4327-0.3184 0.2589 ( 3925 PWs) bands (ev): -19.9723 -19.9723 -19.9418 -19.9418 -6.5227 -6.5227 -5.3068 -5.3068 -4.5314 -4.5314 -4.3902 -4.3902 -3.7723 -3.7723 -3.6293 -3.6293 -3.5064 -3.5064 -3.4735 -3.4735 1.2862 1.2862 1.6970 1.6970 3.3084 3.3084 4.0875 4.0875 4.5997 4.5997 5.0576 5.0576 5.1935 5.1935 5.3495 5.3495 5.8126 5.8126 7.0293 7.0293 9.7988 9.7988 10.5328 10.5328 11.0286 11.0286 11.1994 11.1994 k = 0.4383-0.2997 0.2535 ( 3924 PWs) bands (ev): -19.9729 -19.9729 -19.9412 -19.9412 -6.5172 -6.5172 -5.2994 -5.2994 -4.5359 -4.5359 -4.3965 -4.3965 -3.7773 -3.7773 -3.6347 -3.6347 -3.5060 -3.5060 -3.4756 -3.4756 1.2906 1.2906 1.7023 1.7023 3.3092 3.3092 4.1043 4.1043 4.6009 4.6009 5.0651 5.0651 5.1906 5.1906 5.3531 5.3531 5.7967 5.7967 7.0250 7.0250 9.7963 9.7963 10.4966 10.4966 11.0402 11.0402 11.1948 11.1948 k = 0.4439-0.2810 0.2481 ( 3927 PWs) bands (ev): -19.9736 -19.9736 -19.9406 -19.9406 -6.5116 -6.5116 -5.2923 -5.2923 -4.5394 -4.5394 -4.4035 -4.4035 -3.7819 -3.7819 -3.6405 -3.6405 -3.5053 -3.5053 -3.4777 -3.4777 1.2949 1.2949 1.7075 1.7075 3.3103 3.3103 4.1197 4.1197 4.6022 4.6022 5.0721 5.0721 5.1881 5.1881 5.3588 5.3588 5.7796 5.7796 7.0213 7.0213 9.7940 9.7940 10.4627 10.4627 11.0478 11.0478 11.1891 11.1891 k = 0.4495-0.2623 0.2428 ( 3928 PWs) bands (ev): -19.9741 -19.9741 -19.9400 -19.9400 -6.5062 -6.5062 -5.2858 -5.2858 -4.5418 -4.5418 -4.4111 -4.4111 -3.7861 -3.7861 -3.6465 -3.6465 -3.5044 -3.5044 -3.4797 -3.4797 1.2988 1.2988 1.7126 1.7126 3.3116 3.3116 4.1337 4.1337 4.6035 4.6035 5.0785 5.0785 5.1860 5.1860 5.3669 5.3669 5.7612 5.7612 7.0182 7.0182 9.7918 9.7918 10.4314 10.4314 11.0515 11.0515 11.1823 11.1823 k = 0.4552-0.2436 0.2374 ( 3925 PWs) bands (ev): -19.9747 -19.9747 -19.9395 -19.9395 -6.5009 -6.5009 -5.2800 -5.2800 -4.5430 -4.5430 -4.4192 -4.4192 -3.7897 -3.7897 -3.6526 -3.6526 -3.5033 -3.5033 -3.4815 -3.4815 1.3023 1.3023 1.7174 1.7174 3.3130 3.3130 4.1460 4.1460 4.6048 4.6048 5.0840 5.0840 5.1843 5.1843 5.3775 5.3775 5.7417 5.7417 7.0155 7.0155 9.7899 9.7899 10.4030 10.4030 11.0518 11.0518 11.1747 11.1747 k = 0.4608-0.2250 0.2320 ( 3931 PWs) bands (ev): -19.9751 -19.9751 -19.9391 -19.9391 -6.4960 -6.4960 -5.2748 -5.2748 -4.5429 -4.5429 -4.4279 -4.4279 -3.7928 -3.7928 -3.6585 -3.6585 -3.5021 -3.5021 -3.4832 -3.4832 1.3055 1.3055 1.7219 1.7219 3.3146 3.3146 4.1568 4.1568 4.6061 4.6061 5.0886 5.0886 5.1831 5.1831 5.3906 5.3906 5.7210 5.7210 7.0133 7.0133 9.7882 9.7882 10.3777 10.3777 11.0494 11.0494 11.1665 11.1665 k = 0.4664-0.2063 0.2267 ( 3929 PWs) bands (ev): -19.9756 -19.9756 -19.9386 -19.9386 -6.4914 -6.4914 -5.2703 -5.2703 -4.5415 -4.5415 -4.4370 -4.4370 -3.7955 -3.7955 -3.6642 -3.6642 -3.5009 -3.5009 -3.4848 -3.4848 1.3084 1.3084 1.7259 1.7259 3.3161 3.3161 4.1660 4.1660 4.6072 4.6072 5.0922 5.0922 5.1823 5.1823 5.4061 5.4061 5.6992 5.6992 7.0116 7.0116 9.7867 9.7867 10.3556 10.3556 11.0453 11.0453 11.1583 11.1583 k = 0.4720-0.1876 0.2213 ( 3937 PWs) bands (ev): -19.9759 -19.9759 -19.9383 -19.9383 -6.4874 -6.4874 -5.2666 -5.2666 -4.5388 -4.5388 -4.4463 -4.4463 -3.7976 -3.7976 -3.6693 -3.6693 -3.4996 -3.4996 -3.4863 -3.4863 1.3108 1.3108 1.7295 1.7295 3.3176 3.3176 4.1736 4.1736 4.6082 4.6082 5.0950 5.0950 5.1818 5.1818 5.4237 5.4237 5.6766 5.6766 7.0102 7.0102 9.7854 9.7854 10.3367 10.3367 11.0404 11.0404 11.1503 11.1503 k = 0.4776-0.1689 0.2160 ( 3943 PWs) bands (ev): -19.9762 -19.9762 -19.9380 -19.9380 -6.4840 -6.4840 -5.2636 -5.2636 -4.5349 -4.5349 -4.4556 -4.4556 -3.7993 -3.7993 -3.6737 -3.6737 -3.4983 -3.4983 -3.4877 -3.4877 1.3127 1.3127 1.7325 1.7325 3.3189 3.3189 4.1797 4.1797 4.6090 4.6090 5.0970 5.0970 5.1814 5.1814 5.4431 5.4431 5.6535 5.6535 7.0092 7.0092 9.7843 9.7843 10.3213 10.3213 11.0353 11.0353 11.1430 11.1430 k = 0.4832-0.1502 0.2106 ( 3947 PWs) bands (ev): -19.9765 -19.9765 -19.9378 -19.9378 -6.4812 -6.4812 -5.2613 -5.2613 -4.5302 -4.5302 -4.4646 -4.4646 -3.8005 -3.8005 -3.6774 -3.6774 -3.4971 -3.4971 -3.4890 -3.4890 1.3143 1.3143 1.7350 1.7350 3.3200 3.3200 4.1844 4.1844 4.6097 4.6097 5.0984 5.0984 5.1812 5.1812 5.4636 5.4636 5.6303 5.6303 7.0084 7.0084 9.7835 9.7835 10.3092 10.3092 11.0308 11.0308 11.1368 11.1368 k = 0.4888-0.1316 0.2052 ( 3944 PWs) bands (ev): -19.9766 -19.9766 -19.9376 -19.9376 -6.4792 -6.4792 -5.2596 -5.2596 -4.5251 -4.5251 -4.4727 -4.4727 -3.8014 -3.8014 -3.6801 -3.6801 -3.4959 -3.4959 -3.4902 -3.4902 1.3154 1.3154 1.7367 1.7367 3.3208 3.3208 4.1877 4.1877 4.6101 4.6101 5.0993 5.0993 5.1811 5.1811 5.4841 5.4841 5.6080 5.6080 7.0079 7.0079 9.7829 9.7829 10.3006 10.3006 11.0272 11.0272 11.1321 11.1321 k = 0.4944-0.1129 0.1999 ( 3943 PWs) bands (ev): -19.9767 -19.9767 -19.9375 -19.9375 -6.4780 -6.4780 -5.2587 -5.2587 -4.5208 -4.5208 -4.4789 -4.4789 -3.8019 -3.8019 -3.6817 -3.6817 -3.4949 -3.4949 -3.4912 -3.4912 1.3161 1.3161 1.7378 1.7378 3.3213 3.3213 4.1897 4.1897 4.6104 4.6104 5.0998 5.0998 5.1810 5.1810 5.5019 5.5019 5.5892 5.5892 7.0076 7.0076 9.7825 9.7825 10.2954 10.2954 11.0250 11.0250 11.1292 11.1292 k = 0.5000-0.0942 0.1945 ( 3936 PWs) bands (ev): -19.9768 -19.9768 -19.9375 -19.9375 -6.4776 -6.4776 -5.2584 -5.2584 -4.5190 -4.5190 -4.4813 -4.4813 -3.8021 -3.8021 -3.6823 -3.6823 -3.4944 -3.4944 -3.4916 -3.4916 1.3163 1.3163 1.7382 1.7382 3.3215 3.3215 4.1903 4.1903 4.6105 4.6105 5.0999 5.0999 5.1810 5.1810 5.5100 5.5100 5.5808 5.5808 7.0075 7.0075 9.7824 9.7824 10.2936 10.2936 11.0242 11.0242 11.1282 11.1282 k = 0.5000-0.0942 0.1945 ( 3936 PWs) bands (ev): -19.9768 -19.9768 -19.9375 -19.9375 -6.4776 -6.4776 -5.2584 -5.2584 -4.5190 -4.5190 -4.4813 -4.4813 -3.8021 -3.8021 -3.6823 -3.6823 -3.4944 -3.4944 -3.4916 -3.4916 1.3163 1.3163 1.7382 1.7382 3.3215 3.3215 4.1903 4.1903 4.6105 4.6105 5.0999 5.0999 5.1810 5.1810 5.5100 5.5100 5.5808 5.5808 7.0075 7.0075 9.7824 9.7824 10.2936 10.2936 11.0242 11.0242 11.1282 11.1282 k = 0.4943-0.0874 0.2124 ( 3940 PWs) bands (ev): -19.9767 -19.9767 -19.9374 -19.9374 -6.4765 -6.4765 -5.2584 -5.2584 -4.5199 -4.5199 -4.4809 -4.4809 -3.8023 -3.8023 -3.6823 -3.6823 -3.4963 -3.4963 -3.4912 -3.4912 1.3174 1.3174 1.7393 1.7393 3.3222 3.3222 4.1845 4.1845 4.6151 4.6151 5.0507 5.0507 5.2201 5.2201 5.5068 5.5068 5.5928 5.5928 7.0068 7.0068 9.7715 9.7715 10.2979 10.2979 11.0266 11.0266 11.1305 11.1305 k = 0.4886-0.0805 0.2303 ( 3946 PWs) bands (ev): -19.9764 -19.9764 -19.9371 -19.9371 -6.4733 -6.4733 -5.2586 -5.2586 -4.5222 -4.5222 -4.4798 -4.4798 -3.8031 -3.8031 -3.6822 -3.6822 -3.5004 -3.5004 -3.4914 -3.4914 1.3207 1.3207 1.7426 1.7426 3.3243 3.3243 4.1678 4.1678 4.6276 4.6276 4.9687 4.9687 5.2728 5.2728 5.5018 5.5018 5.6239 5.6239 7.0049 7.0049 9.7401 9.7401 10.3098 10.3098 11.0339 11.0339 11.1370 11.1370 k = 0.4830-0.0736 0.2483 ( 3940 PWs) bands (ev): -19.9759 -19.9759 -19.9366 -19.9366 -6.4679 -6.4679 -5.2590 -5.2590 -4.5259 -4.5259 -4.4782 -4.4782 -3.8045 -3.8045 -3.6822 -3.6822 -3.5060 -3.5060 -3.4928 -3.4928 1.3261 1.3261 1.7482 1.7482 3.3277 3.3277 4.1425 4.1425 4.6434 4.6434 4.8807 4.8807 5.3171 5.3171 5.4993 5.4993 5.6672 5.6672 7.0016 7.0016 9.6913 9.6913 10.3277 10.3277 11.0459 11.0459 11.1465 11.1465 k = 0.4773-0.0668 0.2662 ( 3934 PWs) bands (ev): -19.9752 -19.9752 -19.9360 -19.9360 -6.4603 -6.4603 -5.2595 -5.2595 -4.5307 -4.5307 -4.4764 -4.4764 -3.8063 -3.8063 -3.6823 -3.6823 -3.5131 -3.5131 -3.4955 -3.4955 1.3338 1.3338 1.7561 1.7561 3.3324 3.3324 4.1108 4.1108 4.6487 4.6487 4.8016 4.8016 5.3525 5.3525 5.5007 5.5007 5.7182 5.7182 6.9970 6.9970 9.6291 9.6291 10.3498 10.3498 11.0624 11.0624 11.1577 11.1577 k = 0.4716-0.0599 0.2841 ( 3940 PWs) bands (ev): -19.9743 -19.9743 -19.9351 -19.9351 -6.4506 -6.4506 -5.2602 -5.2602 -4.5364 -4.5364 -4.4746 -4.4746 -3.8086 -3.8086 -3.6825 -3.6825 -3.5216 -3.5216 -3.4992 -3.4992 1.3436 1.3436 1.7663 1.7663 3.3382 3.3382 4.0750 4.0750 4.6066 4.6066 4.7683 4.7683 5.3812 5.3812 5.5060 5.5060 5.7727 5.7727 6.9910 6.9910 9.5570 9.5570 10.3749 10.3749 11.0831 11.0831 11.1693 11.1693 k = 0.4659-0.0531 0.3020 ( 3934 PWs) bands (ev): -19.9733 -19.9733 -19.9341 -19.9341 -6.4389 -6.4389 -5.2611 -5.2611 -4.5428 -4.5428 -4.4729 -4.4729 -3.8114 -3.8114 -3.6830 -3.6830 -3.5313 -3.5313 -3.5040 -3.5040 1.3556 1.3556 1.7787 1.7787 3.3449 3.3449 4.0365 4.0365 4.5165 4.5165 4.7809 4.7809 5.4051 5.4051 5.5154 5.5154 5.8277 5.8277 6.9837 6.9837 9.4779 9.4779 10.4023 10.4023 11.1073 11.1073 11.1803 11.1803 k = 0.4602-0.0462 0.3200 ( 3936 PWs) bands (ev): -19.9720 -19.9720 -19.9329 -19.9329 -6.4250 -6.4250 -5.2622 -5.2622 -4.5499 -4.5499 -4.4714 -4.4714 -3.8146 -3.8146 -3.6838 -3.6838 -3.5421 -3.5421 -3.5096 -3.5096 1.3698 1.3698 1.7935 1.7935 3.3522 3.3522 3.9965 3.9965 4.4103 4.4103 4.8071 4.8071 5.4256 5.4256 5.5289 5.5289 5.8808 5.8808 6.9748 6.9748 9.3946 9.3946 10.4314 10.4314 11.1342 11.1342 11.1901 11.1901 k = 0.4545-0.0394 0.3379 ( 3938 PWs) bands (ev): -19.9706 -19.9706 -19.9315 -19.9315 -6.4092 -6.4092 -5.2635 -5.2635 -4.5576 -4.5576 -4.4702 -4.4702 -3.8182 -3.8182 -3.6851 -3.6851 -3.5538 -3.5538 -3.5159 -3.5159 1.3861 1.3861 1.8106 1.8106 3.3597 3.3597 3.9560 3.9560 4.2985 4.2985 4.8366 4.8366 5.4430 5.4430 5.5467 5.5467 5.9307 5.9307 6.9645 6.9645 9.3090 9.3090 10.4619 10.4619 11.1624 11.1624 11.1985 11.1985 k = 0.4489-0.0325 0.3558 ( 3938 PWs) bands (ev): -19.9690 -19.9690 -19.9300 -19.9300 -6.3913 -6.3913 -5.2652 -5.2652 -4.5659 -4.5659 -4.4693 -4.4693 -3.8223 -3.8223 -3.6872 -3.6872 -3.5661 -3.5661 -3.5227 -3.5227 1.4045 1.4045 1.8300 1.8300 3.3667 3.3667 3.9158 3.9158 4.1843 4.1843 4.8664 4.8664 5.4573 5.4573 5.5690 5.5690 5.9762 5.9762 6.9525 6.9525 9.2230 9.2230 10.4931 10.4931 11.1894 11.1894 11.2065 11.2065 k = 0.4432-0.0257 0.3738 ( 3934 PWs) bands (ev): -19.9672 -19.9672 -19.9283 -19.9283 -6.3715 -6.3715 -5.2671 -5.2671 -4.5747 -4.5747 -4.4688 -4.4688 -3.8268 -3.8268 -3.6903 -3.6903 -3.5787 -3.5787 -3.5298 -3.5298 1.4250 1.4250 1.8518 1.8518 3.3721 3.3721 3.8768 3.8768 4.0698 4.0698 4.8952 4.8952 5.4681 5.4681 5.5959 5.5959 6.0167 6.0167 6.9390 6.9390 9.1381 9.1381 10.5244 10.5244 11.2039 11.2039 11.2239 11.2239 k = 0.4375-0.0188 0.3917 ( 3940 PWs) bands (ev): -19.9653 -19.9653 -19.9264 -19.9264 -6.3497 -6.3497 -5.2693 -5.2693 -4.5840 -4.5840 -4.4688 -4.4688 -3.8317 -3.8317 -3.6946 -3.6946 -3.5915 -3.5915 -3.5369 -3.5369 1.4477 1.4477 1.8759 1.8759 3.3742 3.3742 3.8398 3.8398 3.9568 3.9568 4.9224 4.9224 5.4753 5.4753 5.6274 5.6274 6.0519 6.0519 6.9237 6.9237 9.0557 9.0557 10.5550 10.5550 11.2077 11.2077 11.2474 11.2474 k = 0.4318-0.0120 0.4096 ( 3942 PWs) bands (ev): -19.9633 -19.9633 -19.9244 -19.9244 -6.3262 -6.3262 -5.2719 -5.2719 -4.5937 -4.5937 -4.4691 -4.4691 -3.8371 -3.8371 -3.7005 -3.7005 -3.6040 -3.6040 -3.5437 -3.5437 1.4724 1.4724 1.9024 1.9024 3.3702 3.3702 3.8051 3.8051 3.8485 3.8485 4.9477 4.9477 5.4785 5.4785 5.6630 5.6630 6.0815 6.0815 6.9067 6.9067 8.9769 8.9769 10.5839 10.5839 11.2092 11.2092 11.2675 11.2675 k = 0.4261-0.0051 0.4275 ( 3944 PWs) bands (ev): -19.9611 -19.9611 -19.9223 -19.9223 -6.3008 -6.3008 -5.2749 -5.2749 -4.6039 -4.6039 -4.4700 -4.4700 -3.8431 -3.8431 -3.7080 -3.7080 -3.6162 -3.6162 -3.5498 -3.5498 1.4993 1.4993 1.9311 1.9311 3.3555 3.3555 3.7419 3.7419 3.7814 3.7814 4.9711 4.9711 5.4772 5.4772 5.7021 5.7021 6.1056 6.1056 6.8878 6.8878 8.9028 8.9028 10.6095 10.6095 11.2100 11.2100 11.2816 11.2816 k = 0.4205 0.0017 0.4455 ( 3938 PWs) bands (ev): -19.9588 -19.9588 -19.9201 -19.9201 -6.2738 -6.2738 -5.2784 -5.2784 -4.6145 -4.6145 -4.4713 -4.4713 -3.8497 -3.8497 -3.7172 -3.7172 -3.6279 -3.6279 -3.5551 -3.5551 1.5281 1.5281 1.9621 1.9621 3.3234 3.3234 3.6541 3.6541 3.7585 3.7585 4.9926 4.9926 5.4712 5.4712 5.7443 5.7443 6.1242 6.1242 6.8670 6.8670 8.8343 8.8343 10.6304 10.6304 11.2114 11.2114 11.2886 11.2886 k = 0.4148 0.0086 0.4634 ( 3942 PWs) bands (ev): -19.9564 -19.9564 -19.9178 -19.9178 -6.2451 -6.2451 -5.2823 -5.2823 -4.6254 -4.6254 -4.4732 -4.4732 -3.8570 -3.8570 -3.7276 -3.7276 -3.6393 -3.6393 -3.5593 -3.5593 1.5590 1.5590 1.9951 1.9951 3.2681 3.2681 3.5826 3.5826 3.7454 3.7454 5.0122 5.0122 5.4599 5.4599 5.7886 5.7886 6.1375 6.1375 6.8443 6.8443 8.7722 8.7722 10.6449 10.6449 11.2151 11.2151 11.2882 11.2882 k = 0.4091 0.0154 0.4813 ( 3938 PWs) bands (ev): -19.9539 -19.9539 -19.9153 -19.9153 -6.2149 -6.2149 -5.2866 -5.2866 -4.6366 -4.6366 -4.4756 -4.4756 -3.8652 -3.8652 -3.7389 -3.7389 -3.6504 -3.6504 -3.5623 -3.5623 1.5920 1.5920 2.0301 2.0301 3.1905 3.1905 3.5278 3.5278 3.7418 3.7418 5.0301 5.0301 5.4429 5.4429 5.8341 5.8341 6.1462 6.1462 6.8196 6.8196 8.7171 8.7171 10.6512 10.6512 11.2224 11.2224 11.2806 11.2806 k = 0.4034 0.0223 0.4992 ( 3938 PWs) bands (ev): -19.9513 -19.9513 -19.9128 -19.9128 -6.1833 -6.1833 -5.2915 -5.2915 -4.6481 -4.6481 -4.4786 -4.4786 -3.8745 -3.8745 -3.7505 -3.7505 -3.6614 -3.6614 -3.5642 -3.5642 1.6269 1.6269 2.0666 2.0666 3.0977 3.0977 3.4835 3.4835 3.7469 3.7469 5.0466 5.0466 5.4199 5.4199 5.8797 5.8797 6.1511 6.1511 6.7929 6.7929 8.6695 8.6695 10.6484 10.6484 11.2345 11.2345 11.2668 11.2668 k = 0.3977 0.0291 0.5172 ( 3938 PWs) bands (ev): -19.9487 -19.9487 -19.9102 -19.9102 -6.1503 -6.1503 -5.2969 -5.2969 -4.6598 -4.6598 -4.4822 -4.4822 -3.8849 -3.8849 -3.7619 -3.7619 -3.6723 -3.6723 -3.5650 -3.5650 1.6637 1.6637 2.1041 2.1041 2.9977 2.9977 3.4444 3.4444 3.7595 3.7595 5.0617 5.0617 5.3906 5.3906 5.9230 5.9230 6.1540 6.1540 6.7642 6.7642 8.6296 8.6296 10.6359 10.6359 11.2474 11.2474 11.2526 11.2526 k = 0.3920 0.0360 0.5351 ( 3940 PWs) bands (ev): -19.9459 -19.9459 -19.9076 -19.9076 -6.1160 -6.1160 -5.3029 -5.3029 -4.6717 -4.6717 -4.4863 -4.4863 -3.8965 -3.8965 -3.7728 -3.7728 -3.6830 -3.6830 -3.5650 -3.5650 1.7025 1.7025 2.1416 2.1416 2.8960 2.8960 3.4076 3.4076 3.7778 3.7778 5.0755 5.0755 5.3551 5.3551 5.9604 5.9604 6.1582 6.1582 6.7336 6.7336 8.5978 8.5978 10.6143 10.6143 11.2246 11.2246 11.2755 11.2755 k = 0.3864 0.0428 0.5530 ( 3938 PWs) bands (ev): -19.9432 -19.9432 -19.9049 -19.9049 -6.0807 -6.0807 -5.3094 -5.3094 -4.6836 -4.6836 -4.4910 -4.4910 -3.9092 -3.9092 -3.7831 -3.7831 -3.6934 -3.6934 -3.5642 -3.5642 1.7432 1.7432 2.1773 2.1773 2.7972 2.7972 3.3720 3.3720 3.8008 3.8008 5.0883 5.0883 5.3132 5.3132 5.9862 5.9862 6.1691 6.1691 6.7013 6.7013 8.5739 8.5739 10.5848 10.5848 11.1989 11.1989 11.3035 11.3035 k = 0.3807 0.0497 0.5709 ( 3938 PWs) bands (ev): -19.9404 -19.9404 -19.9022 -19.9022 -6.0444 -6.0444 -5.3164 -5.3164 -4.6957 -4.6957 -4.4962 -4.4962 -3.9228 -3.9228 -3.7926 -3.7926 -3.7033 -3.7033 -3.5629 -3.5629 1.7857 1.7857 2.2074 2.2074 2.7066 2.7066 3.3375 3.3375 3.8273 3.8273 5.1002 5.1002 5.2651 5.2651 5.9947 5.9947 6.1915 6.1915 6.6675 6.6675 8.5578 8.5578 10.5486 10.5486 11.1715 11.1715 11.3355 11.3355 k = 0.3750 0.0565 0.5889 ( 3936 PWs) bands (ev): -19.9376 -19.9376 -19.8995 -19.8995 -6.0072 -6.0072 -5.3238 -5.3238 -4.7078 -4.7078 -4.5019 -4.5019 -3.9370 -3.9370 -3.8016 -3.8016 -3.7125 -3.7125 -3.5611 -3.5611 1.8299 1.8299 2.2244 2.2244 2.6326 2.6326 3.3040 3.3040 3.8566 3.8566 5.1111 5.1111 5.2113 5.2113 5.9862 5.9862 6.2245 6.2245 6.6330 6.6330 8.5492 8.5492 10.5074 10.5074 11.1435 11.1435 11.3705 11.3705 k = 0.3693 0.0634 0.6068 ( 3934 PWs) bands (ev): -19.9347 -19.9347 -19.8967 -19.8967 -5.9693 -5.9693 -5.3318 -5.3318 -4.7199 -4.7199 -4.5081 -4.5081 -3.9517 -3.9517 -3.8101 -3.8101 -3.7209 -3.7209 -3.5591 -3.5591 1.8758 1.8758 2.2164 2.2164 2.5877 2.5877 3.2716 3.2716 3.8881 3.8881 5.1207 5.1207 5.1526 5.1526 5.9649 5.9649 6.2626 6.2626 6.5991 6.5991 8.5475 8.5475 10.4627 10.4627 11.1156 11.1156 11.4078 11.4078 k = 0.3636 0.0702 0.6247 ( 3936 PWs) bands (ev): -19.9319 -19.9319 -19.8940 -19.8940 -5.9309 -5.9309 -5.3401 -5.3401 -4.7319 -4.7319 -4.5147 -4.5147 -3.9666 -3.9666 -3.8184 -3.8184 -3.7283 -3.7283 -3.5568 -3.5568 1.9228 1.9228 2.1763 2.1763 2.5801 2.5801 3.2406 3.2406 3.9215 3.9215 5.0865 5.0865 5.1321 5.1321 5.9345 5.9345 6.2991 6.2991 6.5685 6.5685 8.5523 8.5523 10.4157 10.4157 11.0886 11.0886 11.4465 11.4465 k = 0.3580 0.0771 0.6426 ( 3936 PWs) bands (ev): -19.9291 -19.9291 -19.8913 -19.8913 -5.8921 -5.8921 -5.3488 -5.3488 -4.7439 -4.7439 -4.5216 -4.5216 -3.9814 -3.9814 -3.8265 -3.8265 -3.7348 -3.7348 -3.5544 -3.5544 1.9696 1.9696 2.1128 2.1128 2.6025 2.6025 3.2111 3.2111 3.9563 3.9563 5.0182 5.0182 5.1406 5.1406 5.8971 5.8971 6.3262 6.3262 6.5472 6.5472 8.5628 8.5628 10.3676 10.3676 11.0630 11.0630 11.4863 11.4863 k = 0.3523 0.0840 0.6606 ( 3940 PWs) bands (ev): -19.9264 -19.9264 -19.8887 -19.8887 -5.8531 -5.8531 -5.3577 -5.3577 -4.7558 -4.7558 -4.5287 -4.5287 -3.9959 -3.9959 -3.8346 -3.8346 -3.7403 -3.7403 -3.5519 -3.5519 1.9969 1.9969 2.0574 2.0574 2.6429 2.6429 3.1834 3.1834 3.9922 3.9922 4.9457 4.9457 5.1488 5.1488 5.8540 5.8540 6.3337 6.3337 6.5441 6.5441 8.5781 8.5781 10.3196 10.3196 11.0391 11.0391 11.5265 11.5265 k = 0.3466 0.0908 0.6785 ( 3940 PWs) bands (ev): -19.9237 -19.9237 -19.8860 -19.8860 -5.8141 -5.8141 -5.3669 -5.3669 -4.7676 -4.7676 -4.5360 -4.5360 -4.0100 -4.0100 -3.8426 -3.8426 -3.7448 -3.7448 -3.5493 -3.5493 1.9355 1.9355 2.0873 2.0873 2.6931 2.6931 3.1578 3.1578 4.0288 4.0288 4.8701 4.8701 5.1564 5.1564 5.8060 5.8060 6.3176 6.3176 6.5627 6.5627 8.5976 8.5976 10.2724 10.2724 11.0175 11.0175 11.5668 11.5668 k = 0.3409 0.0977 0.6964 ( 3940 PWs) bands (ev): -19.9211 -19.9211 -19.8835 -19.8835 -5.7754 -5.7754 -5.3761 -5.3761 -4.7793 -4.7793 -4.5434 -4.5434 -4.0236 -4.0236 -3.8507 -3.8507 -3.7484 -3.7484 -3.5469 -3.5469 1.8531 1.8531 2.1389 2.1389 2.7489 2.7489 3.1350 3.1350 4.0657 4.0657 4.7920 4.7920 5.1633 5.1633 5.7540 5.7540 6.2846 6.2846 6.5958 6.5958 8.6203 8.6203 10.2270 10.2270 10.9984 10.9984 11.6067 11.6067 k = 0.3352 0.1045 0.7143 ( 3936 PWs) bands (ev): -19.9185 -19.9185 -19.8810 -19.8810 -5.7371 -5.7371 -5.3854 -5.3854 -4.7907 -4.7907 -4.5508 -4.5508 -4.0365 -4.0365 -3.8586 -3.8586 -3.7512 -3.7512 -3.5445 -3.5445 1.7700 1.7700 2.1939 2.1939 2.8072 2.8072 3.1159 3.1159 4.1024 4.1024 4.7124 4.7124 5.1692 5.1692 5.6987 5.6987 6.2426 6.2426 6.6356 6.6356 8.6453 8.6453 10.1842 10.1842 10.9820 10.9820 11.6459 11.6459 k = 0.3295 0.1114 0.7323 ( 3944 PWs) bands (ev): -19.9161 -19.9161 -19.8787 -19.8787 -5.6995 -5.6995 -5.3945 -5.3945 -4.8019 -4.8019 -4.5580 -4.5580 -4.0488 -4.0488 -3.8664 -3.8664 -3.7533 -3.7533 -3.5421 -3.5421 1.6890 1.6890 2.2507 2.2507 2.8649 2.8649 3.1026 3.1026 4.1379 4.1379 4.6324 4.6324 5.1738 5.1738 5.6410 5.6410 6.1957 6.1957 6.6778 6.6778 8.6716 8.6716 10.1446 10.1446 10.9684 10.9684 11.6838 11.6838 k = 0.3239 0.1182 0.7502 ( 3948 PWs) bands (ev): -19.9138 -19.9138 -19.8764 -19.8764 -5.6629 -5.6629 -5.4033 -5.4033 -4.8128 -4.8128 -4.5651 -4.5651 -4.0603 -4.0603 -3.8740 -3.8740 -3.7549 -3.7549 -3.5400 -3.5400 1.6112 1.6112 2.3087 2.3087 2.9166 2.9166 3.1000 3.1000 4.1705 4.1705 4.5538 4.5538 5.1765 5.1765 5.5822 5.5822 6.1459 6.1459 6.7202 6.7202 8.6984 8.6984 10.1089 10.1089 10.9577 10.9577 11.7171 11.7171 k = 0.3182 0.1251 0.7681 ( 3952 PWs) bands (ev): -19.9115 -19.9115 -19.8743 -19.8743 -5.6277 -5.6277 -5.4117 -5.4117 -4.8234 -4.8234 -4.5720 -4.5720 -4.0710 -4.0710 -3.8814 -3.8814 -3.7560 -3.7560 -3.5379 -3.5379 1.5374 1.5374 2.3676 2.3676 2.9532 2.9532 3.1169 3.1169 4.1965 4.1965 4.4807 4.4807 5.1760 5.1760 5.5241 5.5241 6.0944 6.0944 6.7618 6.7618 8.7246 8.7246 10.0776 10.0776 10.9501 10.9501 11.6676 11.6676 k = 0.3125 0.1319 0.7860 ( 3952 PWs) bands (ev): -19.9094 -19.9094 -19.8722 -19.8722 -5.5941 -5.5941 -5.4195 -5.4195 -4.8336 -4.8336 -4.5786 -4.5786 -4.0809 -4.0809 -3.8884 -3.8884 -3.7567 -3.7567 -3.5361 -3.5361 1.4681 1.4681 2.4267 2.4267 2.9695 2.9695 3.1583 3.1583 4.2064 4.2064 4.4225 4.4225 5.1700 5.1700 5.4697 5.4697 6.0421 6.0421 6.8017 6.8017 8.7496 8.7496 10.0511 10.0511 10.9454 10.9454 11.6051 11.6051 k = 0.3068 0.1388 0.8040 ( 3952 PWs) bands (ev): -19.9075 -19.9075 -19.8703 -19.8703 -5.5626 -5.5626 -5.4263 -5.4263 -4.8432 -4.8432 -4.5847 -4.5847 -4.0899 -4.0899 -3.8951 -3.8951 -3.7571 -3.7571 -3.5343 -3.5343 1.4036 1.4036 2.4856 2.4856 2.9735 2.9735 3.2163 3.2163 4.1840 4.1840 4.3956 4.3956 5.1549 5.1549 5.4234 5.4234 5.9893 5.9893 6.8395 6.8395 8.7727 8.7727 10.0297 10.0297 10.9438 10.9438 11.5452 11.5452 k = 0.3011 0.1456 0.8219 ( 3950 PWs) bands (ev): -19.9057 -19.9057 -19.8686 -19.8686 -5.5342 -5.5342 -5.4316 -5.4316 -4.8524 -4.8524 -4.5905 -4.5905 -4.0981 -4.0981 -3.9013 -3.9013 -3.7573 -3.7573 -3.5328 -3.5328 1.3443 1.3443 2.5432 2.5432 2.9744 2.9744 3.2818 3.2818 4.1284 4.1284 4.4007 4.4007 5.1270 5.1270 5.3900 5.3900 5.9366 5.9366 6.8748 6.8748 8.7932 8.7932 10.0133 10.0133 10.9452 10.9452 11.4884 11.4884 k = 0.2955 0.1525 0.8398 ( 3950 PWs) bands (ev): -19.9041 -19.9041 -19.8670 -19.8670 -5.5101 -5.5101 -5.4341 -5.4341 -4.8609 -4.8609 -4.5958 -4.5958 -4.1055 -4.1055 -3.9071 -3.9071 -3.7573 -3.7573 -3.5315 -3.5315 1.2904 1.2904 2.5979 2.5979 2.9774 2.9774 3.3502 3.3502 4.0565 4.0565 4.4211 4.4211 5.0852 5.0852 5.3717 5.3717 5.8843 5.8843 6.9073 6.9073 8.8108 8.8108 10.0018 10.0018 10.9495 10.9495 11.4347 11.4347 k = 0.2898 0.1593 0.8577 ( 3966 PWs) bands (ev): -19.9026 -19.9026 -19.8656 -19.8656 -5.4927 -5.4927 -5.4317 -5.4317 -4.8687 -4.8687 -4.6006 -4.6006 -4.1120 -4.1120 -3.9123 -3.9123 -3.7572 -3.7572 -3.5303 -3.5303 1.2423 1.2423 2.6478 2.6478 2.9863 2.9863 3.4186 3.4186 3.9790 3.9790 4.4462 4.4462 5.0329 5.0329 5.3663 5.3663 5.8330 5.8330 6.9367 6.9367 8.8254 8.8254 9.9947 9.9947 10.9567 10.9567 11.3841 11.3841 k = 0.2841 0.1662 0.8757 ( 3972 PWs) bands (ev): -19.9013 -19.9013 -19.8644 -19.8644 -5.4838 -5.4838 -5.4228 -5.4228 -4.8756 -4.8756 -4.6048 -4.6048 -4.1177 -4.1177 -3.9170 -3.9170 -3.7570 -3.7570 -3.5293 -3.5293 1.2002 1.2002 2.6901 2.6901 3.0040 3.0040 3.4847 3.4847 3.9006 3.9006 4.4715 4.4715 4.9751 4.9751 5.3702 5.3702 5.7829 5.7829 6.9627 6.9627 8.8370 8.8370 9.9914 9.9914 10.9666 10.9666 11.3368 11.3368 k = 0.2784 0.1730 0.8936 ( 3960 PWs) bands (ev): -19.9002 -19.9002 -19.8633 -19.8633 -5.4815 -5.4815 -5.4097 -5.4097 -4.8817 -4.8817 -4.6085 -4.6085 -4.1224 -4.1224 -3.9210 -3.9210 -3.7569 -3.7569 -3.5284 -3.5284 1.1643 1.1643 2.7228 2.7228 3.0324 3.0324 3.5453 3.5453 3.8250 3.8250 4.4949 4.4949 4.9166 4.9166 5.3808 5.3808 5.7345 5.7345 6.9851 6.9851 8.8459 8.8459 9.9909 9.9909 10.9791 10.9791 11.2927 11.2927 k = 0.2727 0.1799 0.9115 ( 3958 PWs) bands (ev): -19.8993 -19.8993 -19.8624 -19.8624 -5.4820 -5.4820 -5.3962 -5.3962 -4.8869 -4.8869 -4.6115 -4.6115 -4.1264 -4.1264 -3.9244 -3.9244 -3.7567 -3.7567 -3.5277 -3.5277 1.1346 1.1346 2.7455 2.7455 3.0714 3.0714 3.5934 3.5934 3.7588 3.7588 4.5152 4.5152 4.8612 4.8612 5.3964 5.3964 5.6884 5.6884 7.0038 7.0038 8.8524 8.8524 9.9924 9.9924 10.9939 10.9939 11.2523 11.2523 k = 0.2670 0.1867 0.9294 ( 3958 PWs) bands (ev): -19.8986 -19.8986 -19.8618 -19.8618 -5.4833 -5.4833 -5.3845 -5.3845 -4.8910 -4.8910 -4.6139 -4.6139 -4.1294 -4.1294 -3.9271 -3.9271 -3.7565 -3.7565 -3.5272 -3.5272 1.1114 1.1114 2.7598 2.7598 3.1176 3.1176 3.6056 3.6056 3.7246 3.7246 4.5313 4.5313 4.8127 4.8127 5.4156 5.4156 5.6454 5.6454 7.0185 7.0185 8.8569 8.8569 9.9948 9.9948 11.0104 11.0104 11.2158 11.2158 k = 0.2614 0.1936 0.9474 ( 3958 PWs) bands (ev): -19.8981 -19.8981 -19.8613 -19.8613 -5.4846 -5.4846 -5.3757 -5.3757 -4.8939 -4.8939 -4.6156 -4.6156 -4.1316 -4.1316 -3.9290 -3.9290 -3.7563 -3.7563 -3.5269 -3.5269 1.0947 1.0947 2.7681 2.7681 3.1654 3.1654 3.5693 3.5693 3.7359 3.7359 4.5427 4.5427 4.7746 4.7746 5.4370 5.4370 5.6069 5.6069 7.0291 7.0291 8.8598 8.8598 9.9973 9.9973 11.0276 11.0276 11.1845 11.1845 k = 0.2557 0.2004 0.9653 ( 3960 PWs) bands (ev): -19.8978 -19.8978 -19.8610 -19.8610 -5.4855 -5.4855 -5.3702 -5.3702 -4.8957 -4.8957 -4.6167 -4.6167 -4.1329 -4.1329 -3.9302 -3.9302 -3.7562 -3.7562 -3.5266 -3.5266 1.0847 1.0847 2.7724 2.7724 3.2051 3.2051 3.5273 3.5273 3.7542 3.7542 4.5492 4.5492 4.7504 4.7504 5.4572 5.4572 5.5764 5.5764 7.0355 7.0355 8.8614 8.8614 9.9991 9.9991 11.0425 11.0425 11.1612 11.1612 k = 0.2500 0.2073 0.9832 ( 3964 PWs) bands (ev): -19.8977 -19.8977 -19.8609 -19.8609 -5.4858 -5.4858 -5.3684 -5.3684 -4.8963 -4.8963 -4.6170 -4.6170 -4.1334 -4.1334 -3.9306 -3.9306 -3.7562 -3.7562 -3.5266 -3.5266 1.0814 1.0814 2.7737 2.7737 3.2217 3.2217 3.5093 3.5093 3.7615 3.7615 4.5513 4.5513 4.7420 4.7420 5.4669 5.4669 5.5633 5.5633 7.0377 7.0377 8.8619 8.8619 9.9997 9.9997 11.0490 11.0490 11.1519 11.1519 k = 0.1719-0.2073 0.9832 ( 3946 PWs) bands (ev): -19.8993 -19.8993 -19.8663 -19.8663 -5.6310 -5.6310 -5.3029 -5.3029 -4.8360 -4.8360 -4.6465 -4.6465 -4.0402 -4.0402 -3.9170 -3.9170 -3.7076 -3.7076 -3.6145 -3.6145 1.1830 1.1830 2.7551 2.7551 3.0056 3.0056 3.3832 3.3832 3.9750 3.9750 4.5019 4.5019 4.9785 4.9785 5.3217 5.3217 5.6727 5.6727 7.0094 7.0094 9.1729 9.1729 9.7064 9.7064 10.6468 10.6468 11.6662 11.6662 k = 0.1776-0.2142 0.9653 ( 3954 PWs) bands (ev): -19.9003 -19.9003 -19.8679 -19.8679 -5.6475 -5.6475 -5.3093 -5.3093 -4.8282 -4.8282 -4.6417 -4.6417 -4.0334 -4.0334 -3.9115 -3.9115 -3.7035 -3.7035 -3.6143 -3.6143 1.2276 1.2276 2.7088 2.7088 2.9858 2.9858 3.3198 3.3198 4.0553 4.0553 4.4801 4.4801 5.0355 5.0355 5.3155 5.3155 5.7174 5.7174 6.9678 6.9678 9.1377 9.1377 9.7443 9.7443 10.6430 10.6430 11.6558 11.6558 k = 0.1833-0.2210 0.9473 ( 3954 PWs) bands (ev): -19.9014 -19.9014 -19.8696 -19.8696 -5.6664 -5.6664 -5.3152 -5.3152 -4.8195 -4.8195 -4.6360 -4.6360 -4.0260 -4.0260 -3.9054 -3.9054 -3.6999 -3.6999 -3.6140 -3.6140 1.2783 1.2783 2.6542 2.6542 2.9759 2.9759 3.2536 3.2536 4.1317 4.1317 4.4610 4.4610 5.0895 5.0895 5.3157 5.3157 5.7651 5.7651 6.9223 6.9223 9.0997 9.0997 9.7877 9.7877 10.6423 10.6423 11.6479 11.6479 k = 0.1889-0.2279 0.9294 ( 3948 PWs) bands (ev): -19.9027 -19.9027 -19.8715 -19.8715 -5.6878 -5.6878 -5.3205 -5.3205 -4.8098 -4.8098 -4.6295 -4.6295 -4.0181 -4.0181 -3.8987 -3.8987 -3.6967 -3.6967 -3.6138 -3.6138 1.3347 1.3347 2.5945 2.5945 2.9719 2.9719 3.1872 3.1872 4.1960 4.1960 4.4526 4.4526 5.1350 5.1350 5.3265 5.3265 5.8150 5.8150 6.8736 6.8736 9.0596 9.0596 9.8359 9.8359 10.6447 10.6447 11.6425 11.6425 k = 0.1946-0.2347 0.9115 ( 3940 PWs) bands (ev): -19.9042 -19.9042 -19.8735 -19.8735 -5.7115 -5.7115 -5.3251 -5.3251 -4.7992 -4.7992 -4.6221 -4.6221 -4.0095 -4.0095 -3.8915 -3.8915 -3.6938 -3.6938 -3.6137 -3.6137 1.3967 1.3967 2.5324 2.5324 2.9688 2.9688 3.1239 3.1239 4.2341 4.2341 4.4691 4.4691 5.1657 5.1657 5.3530 5.3530 5.8667 5.8667 6.8222 6.8222 9.0181 9.0181 9.8886 9.8886 10.6502 10.6502 11.6397 11.6397 k = 0.2003-0.2416 0.8935 ( 3940 PWs) bands (ev): -19.9058 -19.9058 -19.8757 -19.8757 -5.7376 -5.7376 -5.3290 -5.3290 -4.7878 -4.7878 -4.6138 -4.6138 -4.0003 -4.0003 -3.8838 -3.8838 -3.6913 -3.6913 -3.6135 -3.6135 1.4639 1.4639 2.4693 2.4693 2.9575 2.9575 3.0727 3.0727 4.2383 4.2383 4.5182 4.5182 5.1810 5.1810 5.3949 5.3949 5.9196 5.9196 6.7687 6.7687 8.9757 8.9757 9.9454 9.9454 10.6589 10.6589 11.6393 11.6393 k = 0.2060-0.2484 0.8756 ( 3940 PWs) bands (ev): -19.9076 -19.9076 -19.8780 -19.8780 -5.7657 -5.7657 -5.3322 -5.3322 -4.7757 -4.7757 -4.6049 -4.6049 -3.9904 -3.9904 -3.8755 -3.8755 -3.6891 -3.6891 -3.6135 -3.6135 1.5360 1.5360 2.4060 2.4060 2.9227 2.9227 3.0483 3.0483 4.2199 4.2199 4.5887 4.5887 5.1856 5.1856 5.4465 5.4465 5.9731 5.9731 6.7136 6.7136 8.9333 8.9333 10.0056 10.0056 10.6707 10.6707 11.6414 11.6414 k = 0.2117-0.2553 0.8577 ( 3940 PWs) bands (ev): -19.9095 -19.9095 -19.8805 -19.8805 -5.7956 -5.7956 -5.3347 -5.3347 -4.7628 -4.7628 -4.5952 -4.5952 -3.9799 -3.9799 -3.8666 -3.8666 -3.6872 -3.6872 -3.6134 -3.6134 1.6125 1.6125 2.3432 2.3432 2.8676 2.8676 3.0479 3.0479 4.1910 4.1910 4.6683 4.6683 5.1845 5.1845 5.5022 5.5022 6.0268 6.0268 6.6576 6.6576 8.8914 8.8914 10.0690 10.0690 10.6855 10.6855 11.6458 11.6458 k = 0.2174-0.2621 0.8398 ( 3936 PWs) bands (ev): -19.9115 -19.9115 -19.8830 -19.8830 -5.8271 -5.8271 -5.3368 -5.3368 -4.7494 -4.7494 -4.5850 -4.5850 -3.9687 -3.9687 -3.8571 -3.8571 -3.6854 -3.6854 -3.6134 -3.6134 1.6930 1.6930 2.2813 2.2813 2.8057 2.8057 3.0580 3.0580 4.1573 4.1573 4.7514 4.7514 5.1802 5.1802 5.5588 5.5588 6.0798 6.0798 6.6014 6.6014 8.8510 8.8510 10.1351 10.1351 10.7034 10.7034 11.6523 11.6523 k = 0.2230-0.2690 0.8218 ( 3942 PWs) bands (ev): -19.9137 -19.9137 -19.8857 -19.8857 -5.8600 -5.8600 -5.3384 -5.3384 -4.7354 -4.7354 -4.5742 -4.5742 -3.9569 -3.9569 -3.8470 -3.8470 -3.6837 -3.6837 -3.6135 -3.6135 1.7767 1.7767 2.2205 2.2205 2.7430 2.7430 3.0731 3.0731 4.1213 4.1213 4.8351 4.8351 5.1741 5.1741 5.6145 5.6145 6.1310 6.1310 6.5464 6.5464 8.8126 8.8126 10.2033 10.2033 10.7243 10.7243 11.6607 11.6607 k = 0.2287-0.2758 0.8039 ( 3944 PWs) bands (ev): -19.9159 -19.9159 -19.8884 -19.8884 -5.8940 -5.8940 -5.3397 -5.3397 -4.7211 -4.7211 -4.5631 -4.5631 -3.9444 -3.9444 -3.8363 -3.8363 -3.6821 -3.6821 -3.6135 -3.6135 1.8626 1.8626 2.1610 2.1610 2.6822 2.6822 3.0912 3.0912 4.0845 4.0845 4.9177 4.9177 5.1668 5.1668 5.6680 5.6680 6.1781 6.1781 6.4948 6.4948 8.7771 8.7771 10.2733 10.2733 10.7480 10.7480 11.6709 11.6709 k = 0.2344-0.2827 0.7860 ( 3939 PWs) bands (ev): -19.9183 -19.9183 -19.8912 -19.8912 -5.9287 -5.9287 -5.3407 -5.3407 -4.7064 -4.7064 -4.5518 -4.5518 -3.9312 -3.9312 -3.8250 -3.8250 -3.6806 -3.6806 -3.6136 -3.6136 1.9485 1.9485 2.1039 2.1039 2.6252 2.6252 3.1116 3.1116 4.0474 4.0474 4.9978 4.9978 5.1592 5.1592 5.7188 5.7188 6.2162 6.2162 6.4518 6.4518 8.7452 8.7452 10.3446 10.3446 10.7743 10.7743 11.6827 11.6827 k = 0.2401-0.2896 0.7680 ( 3939 PWs) bands (ev): -19.9207 -19.9207 -19.8941 -19.8941 -5.9641 -5.9641 -5.3416 -5.3416 -4.6915 -4.6915 -4.5402 -4.5402 -3.9175 -3.9175 -3.8132 -3.8132 -3.6790 -3.6790 -3.6135 -3.6135 2.0189 2.0189 2.0620 2.0620 2.5749 2.5749 3.1337 3.1337 4.0107 4.0107 5.0722 5.0722 5.1536 5.1536 5.7663 5.7663 6.2340 6.2340 6.4286 6.4286 8.7177 8.7177 10.4166 10.4166 10.8030 10.8030 11.6959 11.6959 k = 0.2458-0.2964 0.7501 ( 3939 PWs) bands (ev): -19.9232 -19.9232 -19.8970 -19.8970 -5.9997 -5.9997 -5.3423 -5.3423 -4.6765 -4.6765 -4.5287 -4.5287 -3.9031 -3.9031 -3.8008 -3.8008 -3.6773 -3.6773 -3.6133 -3.6133 1.9846 1.9846 2.1189 2.1189 2.5369 2.5369 3.1574 3.1574 3.9747 3.9747 5.1176 5.1176 5.1725 5.1725 5.8097 5.8097 6.2209 6.2209 6.4363 6.4363 8.6953 8.6953 10.4888 10.4888 10.8337 10.8337 11.7102 11.7102 k = 0.2515-0.3033 0.7322 ( 3941 PWs) bands (ev): -19.9257 -19.9257 -19.9000 -19.9000 -6.0355 -6.0355 -5.3431 -5.3431 -4.6615 -4.6615 -4.5171 -4.5171 -3.8883 -3.8883 -3.7878 -3.7878 -3.6754 -3.6754 -3.6129 -3.6129 1.9321 1.9321 2.1771 2.1771 2.5221 2.5221 3.1825 3.1825 3.9398 3.9398 5.1157 5.1157 5.2337 5.2337 5.8486 5.8486 6.1852 6.1852 6.4670 6.4670 8.6788 8.6788 10.5604 10.5604 10.8659 10.8659 11.7255 11.7255 k = 0.2571-0.3101 0.7142 ( 3933 PWs) bands (ev): -19.9283 -19.9283 -19.9029 -19.9029 -6.0711 -6.0711 -5.3438 -5.3438 -4.6468 -4.6468 -4.5057 -4.5057 -3.8731 -3.8731 -3.7745 -3.7745 -3.6734 -3.6734 -3.6121 -3.6121 1.8801 1.8801 2.2028 2.2028 2.5455 2.5455 3.2088 3.2088 3.9062 3.9062 5.1044 5.1044 5.2985 5.2985 5.8815 5.8815 6.1413 6.1413 6.5074 6.5074 8.6688 8.6688 10.6308 10.6308 10.8992 10.8992 11.7412 11.7412 k = 0.2628-0.3170 0.6963 ( 3928 PWs) bands (ev): -19.9309 -19.9309 -19.9059 -19.9059 -6.1064 -6.1064 -5.3446 -5.3446 -4.6323 -4.6323 -4.4945 -4.4945 -3.8576 -3.8576 -3.7608 -3.7608 -3.6711 -3.6711 -3.6110 -3.6110 1.8295 1.8295 2.1943 2.1943 2.6074 2.6074 3.2363 3.2363 3.8743 3.8743 5.0905 5.0905 5.3594 5.3594 5.9059 5.9059 6.0983 6.0983 6.5509 6.5509 8.6659 8.6659 10.6991 10.6991 10.9329 10.9329 11.7568 11.7569 k = 0.2685-0.3238 0.6784 ( 3927 PWs) bands (ev): -19.9334 -19.9334 -19.9088 -19.9088 -6.1413 -6.1413 -5.3455 -5.3455 -4.6182 -4.6182 -4.4835 -4.4835 -3.8421 -3.8421 -3.7468 -3.7468 -3.6683 -3.6683 -3.6093 -3.6093 1.7806 1.7806 2.1658 2.1658 2.6931 2.6931 3.2650 3.2650 3.8444 3.8444 5.0749 5.0749 5.4151 5.4151 5.9160 5.9160 6.0645 6.0645 6.5950 6.5950 8.6708 8.6708 10.7640 10.7640 10.9664 10.9664 11.7716 11.7716 k = 0.2742-0.3307 0.6604 ( 3923 PWs) bands (ev): -19.9360 -19.9360 -19.9118 -19.9118 -6.1755 -6.1755 -5.3464 -5.3464 -4.6047 -4.6047 -4.4728 -4.4728 -3.8267 -3.8267 -3.7328 -3.7328 -3.6651 -3.6651 -3.6070 -3.6070 1.7334 1.7334 2.1287 2.1287 2.7902 2.7902 3.2949 3.2949 3.8170 3.8170 5.0578 5.0578 5.4650 5.4650 5.9039 5.9039 6.0489 6.0489 6.6384 6.6384 8.6838 8.6838 10.8244 10.8244 10.9988 10.9988 11.7842 11.7842 k = 0.2799-0.3375 0.6425 ( 3921 PWs) bands (ev): -19.9386 -19.9386 -19.9146 -19.9146 -6.2089 -6.2089 -5.3474 -5.3474 -4.5918 -4.5918 -4.4625 -4.4625 -3.8117 -3.8117 -3.7188 -3.7188 -3.6612 -3.6612 -3.6038 -3.6038 1.6880 1.6880 2.0886 2.0886 2.8922 2.8922 3.3264 3.3264 3.7925 3.7925 5.0391 5.0391 5.5086 5.5086 5.8719 5.8719 6.0499 6.0499 6.6806 6.6806 8.7053 8.7053 10.8787 10.8787 11.0291 11.0291 11.7928 11.7928 k = 0.2856-0.3444 0.6246 ( 3929 PWs) bands (ev): -19.9411 -19.9411 -19.9175 -19.9175 -6.2414 -6.2414 -5.3485 -5.3485 -4.5796 -4.5796 -4.4524 -4.4524 -3.7975 -3.7975 -3.7052 -3.7052 -3.6564 -3.6564 -3.5997 -3.5997 1.6446 1.6446 2.0480 2.0480 2.9947 2.9947 3.3604 3.3604 3.7716 3.7716 5.0188 5.0188 5.5457 5.5457 5.8305 5.8305 6.0573 6.0573 6.7212 6.7212 8.7353 8.7353 10.9257 10.9257 11.0561 11.0561 11.7948 11.7948 k = 0.2913-0.3513 0.6066 ( 3927 PWs) bands (ev): -19.9436 -19.9436 -19.9202 -19.9202 -6.2728 -6.2728 -5.3497 -5.3497 -4.5683 -4.5683 -4.4427 -4.4427 -3.7844 -3.7844 -3.6922 -3.6922 -3.6504 -3.6504 -3.5945 -3.5945 1.6031 1.6031 2.0082 2.0082 3.0930 3.0930 3.3990 3.3990 3.7553 3.7553 4.9971 4.9971 5.5763 5.5763 5.7864 5.7864 6.0648 6.0648 6.7599 6.7599 8.7738 8.7738 10.9639 10.9639 11.0782 11.0782 11.7873 11.7873 k = 0.2969-0.3581 0.5887 ( 3921 PWs) bands (ev): -19.9460 -19.9460 -19.9229 -19.9229 -6.3030 -6.3030 -5.3510 -5.3510 -4.5579 -4.5579 -4.4334 -4.4334 -3.7729 -3.7729 -3.6801 -3.6801 -3.6428 -3.6428 -3.5880 -3.5880 1.5637 1.5637 1.9697 1.9697 3.1808 3.1808 3.4461 3.4461 3.7450 3.7450 4.9738 4.9738 5.6004 5.6004 5.7423 5.7423 6.0699 6.0699 6.7967 6.7967 8.8205 8.8205 10.9926 10.9926 11.0938 11.0938 11.7682 11.7682 k = 0.3026-0.3650 0.5708 ( 3927 PWs) bands (ev): -19.9483 -19.9483 -19.9255 -19.9255 -6.3319 -6.3319 -5.3523 -5.3523 -4.5484 -4.5484 -4.4244 -4.4244 -3.7630 -3.7630 -3.6692 -3.6692 -3.6337 -3.6337 -3.5803 -3.5803 1.5263 1.5263 1.9329 1.9329 3.2507 3.2507 3.5060 3.5060 3.7431 3.7431 4.9491 4.9491 5.6175 5.6175 5.7002 5.7002 6.0715 6.0715 6.8314 6.8314 8.8750 8.8750 11.0110 11.0110 11.1019 11.1019 11.7374 11.7374 k = 0.3083-0.3718 0.5528 ( 3930 PWs) bands (ev): -19.9506 -19.9506 -19.9280 -19.9280 -6.3593 -6.3593 -5.3537 -5.3537 -4.5399 -4.5399 -4.4158 -4.4158 -3.7549 -3.7549 -3.6594 -3.6594 -3.6230 -3.6230 -3.5714 -3.5714 1.4911 1.4911 1.8982 1.8982 3.2988 3.2988 3.5768 3.5768 3.7547 3.7547 4.9230 4.9230 5.6252 5.6252 5.6633 5.6633 6.0693 6.0693 6.8639 6.8639 8.9367 8.9367 11.0186 11.0186 11.1031 11.1031 11.6965 11.6965 k = 0.3140-0.3787 0.5349 ( 3929 PWs) bands (ev): -19.9527 -19.9527 -19.9304 -19.9304 -6.3853 -6.3853 -5.3551 -5.3551 -4.5323 -4.5323 -4.4077 -4.4077 -3.7486 -3.7486 -3.6508 -3.6508 -3.6111 -3.6111 -3.5615 -3.5615 1.4581 1.4581 1.8656 1.8656 3.3283 3.3283 3.6425 3.6425 3.7920 3.7920 4.8956 4.8956 5.6085 5.6085 5.6474 5.6474 6.0632 6.0632 6.8942 6.8942 9.0049 9.0049 11.0146 11.0146 11.0995 11.0995 11.6485 11.6485 k = 0.3197-0.3855 0.5170 ( 3925 PWs) bands (ev): -19.9548 -19.9548 -19.9326 -19.9326 -6.4096 -6.4096 -5.3564 -5.3564 -4.5256 -4.5256 -4.4000 -4.4000 -3.7438 -3.7438 -3.6430 -3.6430 -3.5985 -3.5985 -3.5507 -3.5507 1.4274 1.4274 1.8353 1.8353 3.3449 3.3449 3.6867 3.6867 3.8652 3.8652 4.8671 4.8671 5.5755 5.5755 5.6446 5.6446 6.0534 6.0534 6.9222 6.9222 9.0784 9.0784 10.9998 10.9998 11.0930 11.0930 11.5967 11.5967 k = 0.3254-0.3924 0.4990 ( 3921 PWs) bands (ev): -19.9567 -19.9567 -19.9347 -19.9347 -6.4323 -6.4323 -5.3578 -5.3578 -4.5197 -4.5197 -4.3928 -4.3928 -3.7404 -3.7404 -3.6361 -3.6361 -3.5856 -3.5856 -3.5394 -3.5394 1.3989 1.3989 1.8072 1.8072 3.3528 3.3528 3.7165 3.7165 3.9623 3.9623 4.8378 4.8378 5.5423 5.5423 5.6391 5.6391 6.0404 6.0404 6.9480 6.9480 9.1563 9.1563 10.9764 10.9764 11.0844 11.0844 11.5438 11.5438 k = 0.3310-0.3992 0.4811 ( 3923 PWs) bands (ev): -19.9585 -19.9585 -19.9367 -19.9367 -6.4532 -6.4532 -5.3591 -5.3591 -4.5146 -4.5146 -4.3861 -4.3861 -3.7379 -3.7379 -3.6297 -3.6297 -3.5728 -3.5728 -3.5280 -3.5280 1.3728 1.3728 1.7815 1.7815 3.3550 3.3550 3.7425 3.7425 4.0692 4.0692 4.8080 4.8080 5.5112 5.5112 5.6285 5.6285 6.0248 6.0248 6.9715 6.9715 9.2373 9.2373 10.9478 10.9478 11.0735 11.0735 11.4917 11.4917 k = 0.3367-0.4061 0.4632 ( 3931 PWs) bands (ev): -19.9601 -19.9601 -19.9385 -19.9385 -6.4723 -6.4723 -5.3604 -5.3604 -4.5103 -4.5103 -4.3800 -4.3800 -3.7362 -3.7362 -3.6240 -3.6240 -3.5604 -3.5604 -3.5167 -3.5167 1.3490 1.3490 1.7582 1.7582 3.3536 3.3536 3.7681 3.7681 4.1796 4.1796 4.7780 4.7780 5.4826 5.4826 5.6122 5.6122 6.0074 6.0074 6.9927 6.9927 9.3199 9.3199 10.9165 10.9165 11.0604 11.0604 11.4421 11.4421 k = 0.3424-0.4129 0.4452 ( 3933 PWs) bands (ev): -19.9616 -19.9616 -19.9401 -19.9401 -6.4896 -6.4896 -5.3616 -5.3616 -4.5066 -4.5066 -4.3745 -4.3745 -3.7351 -3.7351 -3.6189 -3.6189 -3.5487 -3.5487 -3.5058 -3.5058 1.3277 1.3277 1.7373 1.7373 3.3500 3.3500 3.7939 3.7939 4.2906 4.2906 4.7484 4.7484 5.4567 5.4567 5.5896 5.5896 5.9894 5.9894 7.0116 7.0116 9.4026 9.4026 10.8849 10.8849 11.0456 11.0456 11.3957 11.3957 k = 0.3481-0.4198 0.4273 ( 3935 PWs) bands (ev): -19.9630 -19.9630 -19.9416 -19.9416 -6.5049 -6.5049 -5.3627 -5.3627 -4.5035 -4.5035 -4.3696 -4.3696 -3.7344 -3.7344 -3.6143 -3.6143 -3.5380 -3.5380 -3.4957 -3.4957 1.3088 1.3088 1.7189 1.7189 3.3452 3.3452 3.8196 3.8196 4.4007 4.4007 4.7197 4.7197 5.4335 5.4335 5.5605 5.5605 5.9715 5.9715 7.0281 7.0281 9.4836 9.4836 10.8545 10.8545 11.0297 11.0297 11.3535 11.3535 k = 0.3538-0.4267 0.4094 ( 3938 PWs) bands (ev): -19.9641 -19.9641 -19.9428 -19.9428 -6.5183 -6.5183 -5.3637 -5.3637 -4.5009 -4.5009 -4.3653 -4.3653 -3.7340 -3.7340 -3.6102 -3.6102 -3.5283 -3.5283 -3.4864 -3.4864 1.2923 1.2923 1.7028 1.7028 3.3401 3.3401 3.8445 3.8445 4.5085 4.5085 4.6929 4.6929 5.4127 5.4127 5.5248 5.5248 5.9549 5.9549 7.0424 7.0424 9.5609 9.5609 10.8263 10.8263 11.0135 11.0135 11.3158 11.3158 k = 0.3595-0.4335 0.3914 ( 3941 PWs) bands (ev): -19.9651 -19.9651 -19.9439 -19.9439 -6.5297 -6.5297 -5.3645 -5.3645 -4.4988 -4.4988 -4.3616 -4.3616 -3.7338 -3.7338 -3.6068 -3.6068 -3.5199 -3.5199 -3.4782 -3.4782 1.2784 1.2784 1.6893 1.6893 3.3351 3.3351 3.8677 3.8677 4.6103 4.6103 4.6712 4.6712 5.3937 5.3937 5.4831 5.4831 5.9402 5.9402 7.0545 7.0545 9.6323 9.6323 10.8014 10.8014 10.9979 10.9979 11.2831 11.2831 k = 0.3651-0.4404 0.3735 ( 3938 PWs) bands (ev): -19.9660 -19.9660 -19.9448 -19.9448 -6.5390 -6.5390 -5.3652 -5.3652 -4.4972 -4.4972 -4.3586 -4.3586 -3.7337 -3.7337 -3.6039 -3.6039 -3.5129 -3.5129 -3.4713 -3.4713 1.2670 1.2670 1.6781 1.6781 3.3306 3.3306 3.8885 3.8885 4.6394 4.6394 4.7211 4.7211 5.3740 5.3740 5.4384 5.4384 5.9278 5.9278 7.0643 7.0643 9.6955 9.6955 10.7802 10.7802 10.9838 10.9838 11.2557 11.2557 k = 0.3708-0.4472 0.3556 ( 3934 PWs) bands (ev): -19.9666 -19.9666 -19.9455 -19.9455 -6.5463 -6.5463 -5.3658 -5.3658 -4.4960 -4.4960 -4.3563 -4.3563 -3.7337 -3.7337 -3.6016 -3.6016 -3.5074 -3.5074 -3.4658 -3.4658 1.2580 1.2580 1.6695 1.6695 3.3269 3.3269 3.9059 3.9059 4.6229 4.6229 4.8148 4.8148 5.3442 5.3442 5.4012 5.4012 5.9182 5.9182 7.0719 7.0719 9.7481 9.7481 10.7633 10.7633 10.9719 10.9719 11.2340 11.2340 k = 0.3765-0.4541 0.3376 ( 3924 PWs) bands (ev): -19.9671 -19.9671 -19.9460 -19.9460 -6.5516 -6.5516 -5.3662 -5.3662 -4.4951 -4.4951 -4.3546 -4.3546 -3.7337 -3.7337 -3.6000 -3.6000 -3.5033 -3.5033 -3.4618 -3.4618 1.2517 1.2517 1.6633 1.6633 3.3242 3.3242 3.9191 3.9191 4.6093 4.6093 4.9018 4.9018 5.2965 5.2965 5.3821 5.3821 5.9113 5.9113 7.0773 7.0773 9.7877 9.7877 10.7510 10.7510 10.9628 10.9628 11.2183 11.2183 k = 0.3822-0.4609 0.3197 ( 3925 PWs) bands (ev): -19.9674 -19.9674 -19.9463 -19.9463 -6.5547 -6.5547 -5.3665 -5.3665 -4.4946 -4.4946 -4.3536 -4.3536 -3.7337 -3.7337 -3.5990 -3.5990 -3.5009 -3.5009 -3.4594 -3.4594 1.2478 1.2478 1.6596 1.6596 3.3225 3.3225 3.9274 3.9274 4.6006 4.6006 4.9727 4.9727 5.2460 5.2460 5.3739 5.3739 5.9072 5.9072 7.0806 7.0806 9.8123 9.8123 10.7436 10.7436 10.9572 10.9572 11.2087 11.2087 k = 0.3879-0.4678 0.3018 ( 3926 PWs) bands (ev): -19.9675 -19.9675 -19.9464 -19.9464 -6.5558 -6.5558 -5.3666 -5.3666 -4.4944 -4.4944 -4.3533 -4.3533 -3.7337 -3.7337 -3.5987 -3.5987 -3.5001 -3.5001 -3.4585 -3.4585 1.2466 1.2466 1.6584 1.6584 3.3219 3.3219 3.9302 3.9302 4.5977 4.5977 5.0042 5.0042 5.2209 5.2209 5.3715 5.3715 5.9058 5.9058 7.0817 7.0817 9.8207 9.8207 10.7411 10.7411 10.9552 10.9552 11.2055 11.2055 k = 0.6121 0.2794 0.0872 ( 3926 PWs) bands (ev): -19.9675 -19.9675 -19.9464 -19.9464 -6.5558 -6.5558 -5.3666 -5.3666 -4.4944 -4.4944 -4.3533 -4.3533 -3.7337 -3.7337 -3.5987 -3.5987 -3.5001 -3.5001 -3.4585 -3.4585 1.2466 1.2466 1.6584 1.6584 3.3219 3.3219 3.9302 3.9302 4.5977 4.5977 5.0042 5.0042 5.2209 5.2209 5.3715 5.3715 5.9058 5.9058 7.0817 7.0817 9.8207 9.8207 10.7411 10.7411 10.9552 10.9552 11.2055 11.2055 k = 0.6009 0.2929 0.0785 ( 3926 PWs) bands (ev): -19.9669 -19.9669 -19.9470 -19.9470 -6.5588 -6.5588 -5.3759 -5.3759 -4.4918 -4.4918 -4.3467 -4.3467 -3.7307 -3.7307 -3.5922 -3.5922 -3.4980 -3.4980 -3.4573 -3.4573 1.2391 1.2391 1.6523 1.6523 3.3294 3.3294 3.9003 3.9003 4.5990 4.5990 4.9967 4.9967 5.2253 5.2253 5.3811 5.3811 5.9209 5.9209 7.0947 7.0947 9.8247 9.8247 10.7120 10.7120 10.9973 10.9973 11.2056 11.2056 k = 0.5897 0.3064 0.0698 ( 3928 PWs) bands (ev): -19.9664 -19.9664 -19.9475 -19.9475 -6.5615 -6.5615 -5.3846 -5.3846 -4.4891 -4.4891 -4.3408 -4.3408 -3.7277 -3.7277 -3.5865 -3.5865 -3.4958 -3.4958 -3.4565 -3.4565 1.2318 1.2318 1.6468 1.6468 3.3378 3.3378 3.8715 3.8715 4.6003 4.6003 4.9900 4.9900 5.2290 5.2290 5.3898 5.3898 5.9355 5.9355 7.1072 7.1072 9.8285 9.8285 10.6827 10.6827 11.0385 11.0385 11.2049 11.2049 k = 0.5785 0.3199 0.0611 ( 3928 PWs) bands (ev): -19.9660 -19.9660 -19.9479 -19.9479 -6.5638 -6.5638 -5.3926 -5.3926 -4.4864 -4.4864 -4.3355 -4.3355 -3.7248 -3.7248 -3.5815 -3.5815 -3.4935 -3.4935 -3.4561 -3.4561 1.2251 1.2251 1.6419 1.6419 3.3467 3.3467 3.8442 3.8442 4.6014 4.6014 4.9842 4.9842 5.2323 5.2323 5.3976 5.3976 5.9495 5.9495 7.1190 7.1190 9.8322 9.8322 10.6543 10.6543 11.0780 11.0780 11.2044 11.2044 k = 0.5673 0.3335 0.0523 ( 3932 PWs) bands (ev): -19.9656 -19.9656 -19.9483 -19.9483 -6.5657 -6.5657 -5.3997 -5.3997 -4.4840 -4.4840 -4.3309 -4.3309 -3.7221 -3.7221 -3.5774 -3.5774 -3.4911 -3.4911 -3.4562 -3.4562 1.2189 1.2189 1.6376 1.6376 3.3560 3.3560 3.8188 3.8188 4.6023 4.6023 4.9793 4.9793 5.2351 5.2351 5.4043 5.4043 5.9624 5.9624 7.1298 7.1298 9.8355 9.8355 10.6280 10.6280 11.1141 11.1141 11.2059 11.2059 k = 0.5561 0.3470 0.0436 ( 3932 PWs) bands (ev): -19.9652 -19.9652 -19.9486 -19.9486 -6.5673 -6.5673 -5.4060 -5.4060 -4.4817 -4.4817 -4.3270 -4.3270 -3.7196 -3.7196 -3.5740 -3.5740 -3.4887 -3.4887 -3.4567 -3.4567 1.2135 1.2135 1.6340 1.6340 3.3652 3.3652 3.7957 3.7957 4.6031 4.6031 4.9752 4.9752 5.2375 5.2375 5.4101 5.4101 5.9740 5.9740 7.1393 7.1393 9.8384 9.8384 10.6043 10.6043 11.1422 11.1422 11.2145 11.2145 k = 0.5448 0.3605 0.0349 ( 3924 PWs) bands (ev): -19.9650 -19.9650 -19.9488 -19.9488 -6.5686 -6.5686 -5.4112 -5.4112 -4.4798 -4.4798 -4.3239 -4.3239 -3.7174 -3.7174 -3.5713 -3.5713 -3.4864 -3.4864 -3.4574 -3.4574 1.2088 1.2088 1.6310 1.6310 3.3739 3.3739 3.7755 3.7755 4.6038 4.6038 4.9718 4.9718 5.2394 5.2394 5.4147 5.4147 5.9839 5.9839 7.1475 7.1475 9.8409 9.8409 10.5842 10.5842 11.1563 11.1563 11.2364 11.2364 k = 0.5336 0.3740 0.0262 ( 3920 PWs) bands (ev): -19.9647 -19.9647 -19.9491 -19.9491 -6.5696 -6.5696 -5.4153 -5.4153 -4.4782 -4.4782 -4.3214 -4.3214 -3.7156 -3.7156 -3.5692 -3.5692 -3.4842 -3.4842 -3.4584 -3.4584 1.2051 1.2051 1.6287 1.6287 3.3816 3.3816 3.7588 3.7588 4.6043 4.6043 4.9692 4.9692 5.2409 5.2409 5.4184 5.4184 5.9919 5.9919 7.1540 7.1540 9.8430 9.8430 10.5679 10.5679 11.1600 11.1600 11.2678 11.2678 k = 0.5224 0.3875 0.0174 ( 3916 PWs) bands (ev): -19.9646 -19.9646 -19.9492 -19.9492 -6.5703 -6.5703 -5.4183 -5.4183 -4.4771 -4.4771 -4.3196 -4.3196 -3.7143 -3.7143 -3.5678 -3.5678 -3.4824 -3.4824 -3.4593 -3.4593 1.2024 1.2024 1.6270 1.6270 3.3877 3.3877 3.7462 3.7462 4.6047 4.6047 4.9674 4.9674 5.2420 5.2420 5.4209 5.4209 5.9978 5.9978 7.1588 7.1588 9.8444 9.8444 10.5561 10.5561 11.1599 11.1599 11.3013 11.3013 k = 0.5112 0.4011 0.0087 ( 3910 PWs) bands (ev): -19.9645 -19.9645 -19.9493 -19.9493 -6.5708 -6.5708 -5.4201 -5.4201 -4.4764 -4.4764 -4.3185 -4.3185 -3.7135 -3.7135 -3.5669 -3.5669 -3.4812 -3.4812 -3.4599 -3.4599 1.2008 1.2008 1.6260 1.6260 3.3916 3.3916 3.7384 3.7384 4.6050 4.6050 4.9663 4.9663 5.2426 5.2426 5.4225 5.4225 6.0014 6.0014 7.1617 7.1617 9.8453 9.8453 10.5489 10.5489 11.1591 11.1591 11.3301 11.3301 k = 0.5000 0.4146-0.0000 ( 3910 PWs) bands (ev): -19.9645 -19.9645 -19.9493 -19.9493 -6.5709 -6.5709 -5.4207 -5.4207 -4.4761 -4.4761 -4.3182 -4.3182 -3.7133 -3.7133 -3.5666 -3.5666 -3.4807 -3.4807 -3.4602 -3.4602 1.2002 1.2002 1.6257 1.6257 3.3930 3.3930 3.7357 3.7357 4.6050 4.6050 4.9659 4.9659 5.2428 5.2428 5.4230 5.4230 6.0026 6.0026 7.1627 7.1627 9.8457 9.8457 10.5464 10.5464 11.1588 11.1588 11.3430 11.3430 Writing output data file Rb2PtS2.save init_run : 2.36s CPU 2.58s WALL ( 1 calls) electrons : 234.90s CPU 237.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 234.90s CPU 237.89s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.17s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.07s WALL ( 358 calls) cegterg : 212.27s CPU 214.72s WALL ( 530 calls) Called by sum_band: Called by *egterg: h_psi : 148.13s CPU 150.17s WALL ( 8912 calls) s_psi : 7.36s CPU 7.29s WALL ( 8912 calls) g_psi : 0.24s CPU 0.24s WALL ( 8024 calls) cdiaghg : 56.58s CPU 57.17s WALL ( 8382 calls) cegterg:over : 5.85s CPU 6.04s WALL ( 8024 calls) cegterg:upda : 5.73s CPU 5.67s WALL ( 8024 calls) cegterg:last : 2.78s CPU 2.86s WALL ( 1516 calls) cdiaghg:chol : 3.29s CPU 3.28s WALL ( 8382 calls) cdiaghg:inve : 2.23s CPU 2.13s WALL ( 8382 calls) cdiaghg:para : 3.42s CPU 3.54s WALL ( 16764 calls) Called by h_psi: h_psi:vloc : 131.62s CPU 133.63s WALL ( 8912 calls) h_psi:vnl : 16.35s CPU 16.31s WALL ( 8912 calls) add_vuspsi : 8.46s CPU 8.30s WALL ( 8912 calls) General routines calbec : 7.88s CPU 7.99s WALL ( 8912 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.34s CPU 121.02s WALL ( 870456 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.21s WALL ( 716 calls) Parallel routines fft_scatter : 41.08s CPU 42.38s WALL ( 870479 calls) PWSCF : 4m13.19s CPU 4m36.26s WALL This run was terminated on: 21:14:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=