Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:47 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: ./NaVS2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 120 49 14 3755 991 157 Max 121 50 15 3758 1012 159 Sum 4351 1797 527 135263 36149 5687 bravais-lattice index = 14 lattice parameter (alat) = 12.9928 a.u. unit-cell volume = 487.5211 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.992789 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.865499 celldm(5)= 0.865499 celldm(6)= 0.865499 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.865499 0.500911 0.000000 ) a(3) = ( 0.865499 0.232398 0.443737 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.727851 -1.045552 ) b(2) = ( 0.000000 1.996364 -1.045552 ) b(3) = ( 0.000000 0.000000 2.253585 ) 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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) Na 9.00 22.98980 Na( 1.00) V 13.00 50.94150 V( 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= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0096154 -0.0166139 -0.0100534), wk = 0.0029586 k( 3) = ( 0.0192308 -0.0332279 -0.0201068), wk = 0.0029586 k( 4) = ( 0.0288462 -0.0498418 -0.0301601), wk = 0.0029586 k( 5) = ( 0.0384615 -0.0664558 -0.0402135), wk = 0.0029586 k( 6) = ( 0.0480769 -0.0830698 -0.0502669), wk = 0.0029586 k( 7) = ( 0.0576923 -0.0996837 -0.0603203), wk = 0.0029586 k( 8) = ( 0.0673077 -0.1162977 -0.0703737), wk = 0.0029586 k( 9) = ( 0.0769231 -0.1329116 -0.0804271), wk = 0.0029586 k( 10) = ( 0.0865385 -0.1495256 -0.0904804), wk = 0.0029586 k( 11) = ( 0.0961538 -0.1661395 -0.1005338), wk = 0.0029586 k( 12) = ( 0.1057692 -0.1827535 -0.1105872), wk = 0.0029586 k( 13) = ( 0.1153846 -0.1993674 -0.1206406), wk = 0.0029586 k( 14) = ( 0.1250000 -0.2159814 -0.1306940), wk = 0.0029586 k( 15) = ( 0.1346154 -0.2325953 -0.1407474), wk = 0.0029586 k( 16) = ( 0.1442308 -0.2492093 -0.1508008), wk = 0.0029586 k( 17) = ( 0.1538461 -0.2658232 -0.1608541), wk = 0.0029586 k( 18) = ( 0.1634615 -0.2824372 -0.1709075), wk = 0.0029586 k( 19) = ( 0.1730769 -0.2990511 -0.1809609), wk = 0.0029586 k( 20) = ( 0.1826923 -0.3156651 -0.1910143), wk = 0.0029586 k( 21) = ( 0.1923077 -0.3322790 -0.2010677), wk = 0.0029586 k( 22) = ( 0.2019231 -0.3488930 -0.2111211), wk = 0.0029586 k( 23) = ( 0.2115385 -0.3655069 -0.2211744), wk = 0.0029586 k( 24) = ( 0.2211539 -0.3821209 -0.2312278), wk = 0.0029586 k( 25) = ( 0.2307692 -0.3987348 -0.2412812), wk = 0.0029586 k( 26) = ( 0.2403846 -0.4153488 -0.2513346), wk = 0.0029586 k( 27) = ( 0.2500000 -0.4319627 -0.2613880), wk = 0.0029586 k( 28) = ( 0.2596154 -0.4485767 -0.2714413), wk = 0.0029586 k( 29) = ( 0.2692308 -0.4651906 -0.2814947), wk = 0.0029586 k( 30) = ( 0.2788462 -0.4818046 -0.2915481), wk = 0.0029586 k( 31) = ( 0.2884615 -0.4984185 -0.3016015), wk = 0.0029586 k( 32) = ( 0.2980769 -0.5150325 -0.3116549), wk = 0.0029586 k( 33) = ( 0.3076923 -0.5316464 -0.3217083), wk = 0.0029586 k( 34) = ( 0.3173077 -0.5482604 -0.3317616), wk = 0.0029586 k( 35) = ( 0.3269231 -0.5648743 -0.3418150), wk = 0.0029586 k( 36) = ( 0.3365385 -0.5814883 -0.3518684), wk = 0.0029586 k( 37) = ( 0.3461538 -0.5981023 -0.3619218), wk = 0.0029586 k( 38) = ( 0.3557692 -0.6147162 -0.3719752), wk = 0.0029586 k( 39) = ( 0.3653846 -0.6313302 -0.3820286), wk = 0.0029586 k( 40) = ( 0.3750000 -0.6479441 -0.3920820), wk = 0.0029586 k( 41) = ( 0.3846154 -0.6645580 -0.4021353), wk = 0.0029586 k( 42) = ( 0.3942308 -0.6811720 -0.4121887), wk = 0.0029586 k( 43) = ( 0.4038462 -0.6977859 -0.4222421), wk = 0.0029586 k( 44) = ( 0.4134615 -0.7143999 -0.4322955), wk = 0.0029586 k( 45) = ( 0.4230769 -0.7310138 -0.4423489), wk = 0.0029586 k( 46) = ( 0.4326923 -0.7476278 -0.4524023), wk = 0.0029586 k( 47) = ( 0.4423077 -0.7642418 -0.4624556), wk = 0.0029586 k( 48) = ( 0.4519231 -0.7808557 -0.4725090), wk = 0.0029586 k( 49) = ( 0.4615385 -0.7974697 -0.4825624), wk = 0.0029586 k( 50) = ( 0.4711538 -0.8140836 -0.4926158), wk = 0.0029586 k( 51) = ( 0.4807692 -0.8306976 -0.5026692), wk = 0.0029586 k( 52) = ( 0.4903846 -0.8473115 -0.5127226), wk = 0.0029586 k( 53) = ( 0.5000000 -0.8639255 -0.5227759), wk = 0.0029586 k( 54) = ( 0.5000000 -0.8639255 -0.5227759), wk = 0.0029586 k( 55) = ( 0.5000000 -0.8528497 -0.5410795), wk = 0.0029586 k( 56) = ( 0.5000000 -0.8417739 -0.5593830), wk = 0.0029586 k( 57) = ( 0.5000000 -0.8306981 -0.5776865), wk = 0.0029586 k( 58) = ( 0.5000000 -0.8196223 -0.5959901), wk = 0.0029586 k( 59) = ( 0.5000000 -0.8085465 -0.6142936), wk = 0.0029586 k( 60) = ( 0.5000000 -0.7974708 -0.6325972), wk = 0.0029586 k( 61) = ( 0.5000000 -0.7863950 -0.6509007), wk = 0.0029586 k( 62) = ( 0.5000000 -0.7753192 -0.6692043), wk = 0.0029586 k( 63) = ( 0.5000000 -0.7642434 -0.6875078), wk = 0.0029586 k( 64) = ( 0.5000000 -0.7531677 -0.7058113), wk = 0.0029586 k( 65) = ( 0.5000000 -0.7420919 -0.7241149), wk = 0.0029586 k( 66) = ( 0.5000000 -0.7310161 -0.7424184), wk = 0.0029586 k( 67) = ( 0.5000000 -0.7199403 -0.7607220), wk = 0.0029586 k( 68) = ( 0.5000000 -0.7088645 -0.7790255), wk = 0.0029586 k( 69) = ( 0.5000000 -0.6977887 -0.7973290), wk = 0.0029586 k( 70) = ( 0.5000000 -0.6867130 -0.8156326), wk = 0.0029586 k( 71) = ( 0.5000000 -0.6756372 -0.8339361), wk = 0.0029586 k( 72) = ( 0.5000000 -0.6645614 -0.8522396), wk = 0.0029586 k( 73) = ( 0.5000000 -0.6534856 -0.8705432), wk = 0.0029586 k( 74) = ( 0.5000000 -0.6424098 -0.8888467), wk = 0.0029586 k( 75) = ( 0.5000000 -0.6313340 -0.9071503), wk = 0.0029586 k( 76) = ( 0.5000000 -0.6202583 -0.9254538), wk = 0.0029586 k( 77) = ( 0.5000000 -0.6091825 -0.9437573), wk = 0.0029586 k( 78) = ( 0.5000000 -0.5981067 -0.9620609), wk = 0.0029586 k( 79) = ( 0.5000000 -0.5870309 -0.9803644), wk = 0.0029586 k( 80) = ( 0.5000000 -0.5759551 -0.9986680), wk = 0.0029586 k( 81) = ( 0.5000000 -0.5648794 -1.0169715), wk = 0.0029586 k( 82) = ( 0.5000000 -0.5538036 -1.0352750), wk = 0.0029586 k( 83) = ( 0.5000000 -0.5427278 -1.0535786), wk = 0.0029586 k( 84) = ( 0.5000000 -0.5316520 -1.0718821), wk = 0.0029586 k( 85) = ( 0.5000000 -0.5205762 -1.0901857), wk = 0.0029586 k( 86) = ( 0.5000000 -0.5095004 -1.1084892), wk = 0.0029586 k( 87) = ( 0.5000000 -0.4984247 -1.1267928), wk = 0.0029586 k( 88) = ( 0.8169167 -0.4133284 -0.9643110), wk = 0.0029586 k( 89) = ( 0.8112575 -0.4035501 -0.9456404), wk = 0.0029586 k( 90) = ( 0.8055983 -0.3937718 -0.9269699), wk = 0.0029586 k( 91) = ( 0.7999391 -0.3839935 -0.9082993), wk = 0.0029586 k( 92) = ( 0.7942798 -0.3742152 -0.8896287), wk = 0.0029586 k( 93) = ( 0.7886206 -0.3644369 -0.8709582), wk = 0.0029586 k( 94) = ( 0.7829614 -0.3546586 -0.8522876), wk = 0.0029586 k( 95) = ( 0.7773022 -0.3448803 -0.8336170), wk = 0.0029586 k( 96) = ( 0.7716429 -0.3351020 -0.8149464), wk = 0.0029586 k( 97) = ( 0.7659837 -0.3253237 -0.7962759), wk = 0.0029586 k( 98) = ( 0.7603245 -0.3155454 -0.7776053), wk = 0.0029586 k( 99) = ( 0.7546652 -0.3057671 -0.7589347), wk = 0.0029586 k( 100) = ( 0.7490060 -0.2959888 -0.7402642), wk = 0.0029586 k( 101) = ( 0.7433468 -0.2862105 -0.7215936), wk = 0.0029586 k( 102) = ( 0.7376876 -0.2764322 -0.7029230), wk = 0.0029586 k( 103) = ( 0.7320283 -0.2666539 -0.6842525), wk = 0.0029586 k( 104) = ( 0.7263691 -0.2568756 -0.6655819), wk = 0.0029586 k( 105) = ( 0.7207099 -0.2470973 -0.6469113), wk = 0.0029586 k( 106) = ( 0.7150507 -0.2373190 -0.6282408), wk = 0.0029586 k( 107) = ( 0.7093914 -0.2275407 -0.6095702), wk = 0.0029586 k( 108) = ( 0.7037322 -0.2177624 -0.5908996), wk = 0.0029586 k( 109) = ( 0.6980730 -0.2079841 -0.5722290), wk = 0.0029586 k( 110) = ( 0.6924137 -0.1982058 -0.5535585), wk = 0.0029586 k( 111) = ( 0.6867545 -0.1884275 -0.5348879), wk = 0.0029586 k( 112) = ( 0.6810953 -0.1786492 -0.5162173), wk = 0.0029586 k( 113) = ( 0.6754360 -0.1688709 -0.4975468), wk = 0.0029586 k( 114) = ( 0.6697768 -0.1590926 -0.4788762), wk = 0.0029586 k( 115) = ( 0.6641176 -0.1493143 -0.4602056), wk = 0.0029586 k( 116) = ( 0.6584584 -0.1395360 -0.4415351), wk = 0.0029586 k( 117) = ( 0.6527991 -0.1297576 -0.4228645), wk = 0.0029586 k( 118) = ( 0.6471399 -0.1199794 -0.4041939), wk = 0.0029586 k( 119) = ( 0.6414807 -0.1102011 -0.3855234), wk = 0.0029586 k( 120) = ( 0.6358215 -0.1004227 -0.3668528), wk = 0.0029586 k( 121) = ( 0.6301622 -0.0906444 -0.3481822), wk = 0.0029586 k( 122) = ( 0.6245030 -0.0808662 -0.3295117), wk = 0.0029586 k( 123) = ( 0.6188438 -0.0710878 -0.3108411), wk = 0.0029586 k( 124) = ( 0.6131846 -0.0613095 -0.2921705), wk = 0.0029586 k( 125) = ( 0.6075253 -0.0515312 -0.2734999), wk = 0.0029586 k( 126) = ( 0.6018661 -0.0417529 -0.2548294), wk = 0.0029586 k( 127) = ( 0.5962069 -0.0319746 -0.2361588), wk = 0.0029586 k( 128) = ( 0.5905476 -0.0221963 -0.2174882), wk = 0.0029586 k( 129) = ( 0.5848884 -0.0124180 -0.1988176), wk = 0.0029586 k( 130) = ( 0.5792292 -0.0026397 -0.1801471), wk = 0.0029586 k( 131) = ( 0.5735700 0.0071386 -0.1614765), wk = 0.0029586 k( 132) = ( 0.5679107 0.0169169 -0.1428060), wk = 0.0029586 k( 133) = ( 0.5622515 0.0266952 -0.1241354), wk = 0.0029586 k( 134) = ( 0.5565923 0.0364735 -0.1054648), wk = 0.0029586 k( 135) = ( 0.5509331 0.0462518 -0.0867943), wk = 0.0029586 k( 136) = ( 0.5452738 0.0560301 -0.0681237), wk = 0.0029586 k( 137) = ( 0.5396146 0.0658084 -0.0494531), wk = 0.0029586 k( 138) = ( 0.5339554 0.0755867 -0.0307826), wk = 0.0029586 k( 139) = ( 0.5282961 0.0853650 -0.0121120), wk = 0.0029586 k( 140) = ( 0.5226369 0.0951433 0.0065586), wk = 0.0029586 k( 141) = ( 0.5169777 0.1049216 0.0252292), wk = 0.0029586 k( 142) = ( 0.5113185 0.1146999 0.0438997), wk = 0.0029586 k( 143) = ( 0.5056592 0.1244782 0.0625703), wk = 0.0029586 k( 144) = ( 0.5000000 0.1342565 0.0812409), wk = 0.0029586 k( 145) = ( 0.5000000 0.1342565 0.0812409), wk = 0.0029586 k( 146) = ( 0.4791667 0.1286625 0.0778558), wk = 0.0029586 k( 147) = ( 0.4583333 0.1230684 0.0744708), wk = 0.0029586 k( 148) = ( 0.4375000 0.1174744 0.0710858), wk = 0.0029586 k( 149) = ( 0.4166667 0.1118804 0.0677007), wk = 0.0029586 k( 150) = ( 0.3958333 0.1062864 0.0643157), wk = 0.0029586 k( 151) = ( 0.3750000 0.1006924 0.0609307), wk = 0.0029586 k( 152) = ( 0.3541667 0.0950983 0.0575456), wk = 0.0029586 k( 153) = ( 0.3333333 0.0895043 0.0541606), wk = 0.0029586 k( 154) = ( 0.3125000 0.0839103 0.0507755), wk = 0.0029586 k( 155) = ( 0.2916667 0.0783163 0.0473905), wk = 0.0029586 k( 156) = ( 0.2708333 0.0727223 0.0440055), wk = 0.0029586 k( 157) = ( 0.2500000 0.0671282 0.0406204), wk = 0.0029586 k( 158) = ( 0.2291667 0.0615342 0.0372354), wk = 0.0029586 k( 159) = ( 0.2083333 0.0559402 0.0338504), wk = 0.0029586 k( 160) = ( 0.1875000 0.0503462 0.0304653), wk = 0.0029586 k( 161) = ( 0.1666667 0.0447522 0.0270803), wk = 0.0029586 k( 162) = ( 0.1458333 0.0391581 0.0236953), wk = 0.0029586 k( 163) = ( 0.1250000 0.0335641 0.0203102), wk = 0.0029586 k( 164) = ( 0.1041667 0.0279701 0.0169252), wk = 0.0029586 k( 165) = ( 0.0833333 0.0223761 0.0135401), wk = 0.0029586 k( 166) = ( 0.0625000 0.0167821 0.0101551), wk = 0.0029586 k( 167) = ( 0.0416667 0.0111880 0.0067701), wk = 0.0029586 k( 168) = ( 0.0208333 0.0055940 0.0033850), wk = 0.0029586 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 171) = ( 0.0055990 -0.0096743 -0.0184720), wk = 0.0029586 k( 172) = ( 0.0111981 -0.0193486 -0.0369440), wk = 0.0029586 k( 173) = ( 0.0167971 -0.0290229 -0.0554160), wk = 0.0029586 k( 174) = ( 0.0223962 -0.0386972 -0.0738880), wk = 0.0029586 k( 175) = ( 0.0279952 -0.0483716 -0.0923601), wk = 0.0029586 k( 176) = ( 0.0335943 -0.0580459 -0.1108321), wk = 0.0029586 k( 177) = ( 0.0391933 -0.0677202 -0.1293041), wk = 0.0029586 k( 178) = ( 0.0447923 -0.0773945 -0.1477761), wk = 0.0029586 k( 179) = ( 0.0503914 -0.0870688 -0.1662481), wk = 0.0029586 k( 180) = ( 0.0559904 -0.0967431 -0.1847201), wk = 0.0029586 k( 181) = ( 0.0615895 -0.1064174 -0.2031921), wk = 0.0029586 k( 182) = ( 0.0671885 -0.1160917 -0.2216642), wk = 0.0029586 k( 183) = ( 0.0727876 -0.1257661 -0.2401362), wk = 0.0029586 k( 184) = ( 0.0783866 -0.1354404 -0.2586082), wk = 0.0029586 k( 185) = ( 0.0839856 -0.1451147 -0.2770802), wk = 0.0029586 k( 186) = ( 0.0895847 -0.1547890 -0.2955522), wk = 0.0029586 k( 187) = ( 0.0951837 -0.1644633 -0.3140242), wk = 0.0029586 k( 188) = ( 0.1007828 -0.1741376 -0.3324962), wk = 0.0029586 k( 189) = ( 0.1063818 -0.1838119 -0.3509682), wk = 0.0029586 k( 190) = ( 0.1119809 -0.1934862 -0.3694402), wk = 0.0029586 k( 191) = ( 0.1175799 -0.2031605 -0.3879122), wk = 0.0029586 k( 192) = ( 0.1231789 -0.2128349 -0.4063843), wk = 0.0029586 k( 193) = ( 0.1287780 -0.2225092 -0.4248563), wk = 0.0029586 k( 194) = ( 0.1343770 -0.2321835 -0.4433283), wk = 0.0029586 k( 195) = ( 0.1399761 -0.2418578 -0.4618003), wk = 0.0029586 k( 196) = ( 0.1455751 -0.2515321 -0.4802723), wk = 0.0029586 k( 197) = ( 0.1511742 -0.2612064 -0.4987443), wk = 0.0029586 k( 198) = ( 0.1567732 -0.2708807 -0.5172164), wk = 0.0029586 k( 199) = ( 0.1623722 -0.2805550 -0.5356884), wk = 0.0029586 k( 200) = ( 0.1679713 -0.2902293 -0.5541604), wk = 0.0029586 k( 201) = ( 0.1735703 -0.2999037 -0.5726324), wk = 0.0029586 k( 202) = ( 0.1791694 -0.3095780 -0.5911044), wk = 0.0029586 k( 203) = ( 0.1847684 -0.3192523 -0.6095764), wk = 0.0029586 k( 204) = ( 0.1903675 -0.3289266 -0.6280484), wk = 0.0029586 k( 205) = ( 0.1959665 -0.3386009 -0.6465204), wk = 0.0029586 k( 206) = ( 0.2015656 -0.3482752 -0.6649924), wk = 0.0029586 k( 207) = ( 0.2071646 -0.3579495 -0.6834644), wk = 0.0029586 k( 208) = ( 0.2127636 -0.3676239 -0.7019365), wk = 0.0029586 k( 209) = ( 0.2183627 -0.3772982 -0.7204085), wk = 0.0029586 k( 210) = ( 0.2239617 -0.3869725 -0.7388805), wk = 0.0029586 k( 211) = ( 0.2295608 -0.3966468 -0.7573525), wk = 0.0029586 k( 212) = ( 0.2351598 -0.4063211 -0.7758245), wk = 0.0029586 k( 213) = ( 0.2407588 -0.4159954 -0.7942965), wk = 0.0029586 k( 214) = ( 0.2463579 -0.4256697 -0.8127685), wk = 0.0029586 k( 215) = ( 0.2519569 -0.4353440 -0.8312406), wk = 0.0029586 k( 216) = ( 0.2575560 -0.4450183 -0.8497126), wk = 0.0029586 k( 217) = ( 0.2631550 -0.4546926 -0.8681846), wk = 0.0029586 k( 218) = ( 0.2687541 -0.4643670 -0.8866566), wk = 0.0029586 k( 219) = ( 0.2743531 -0.4740413 -0.9051286), wk = 0.0029586 k( 220) = ( 0.2799522 -0.4837156 -0.9236006), wk = 0.0029586 k( 221) = ( 0.2855512 -0.4933899 -0.9420726), wk = 0.0029586 k( 222) = ( 0.2911502 -0.5030642 -0.9605446), wk = 0.0029586 k( 223) = ( 0.2967493 -0.5127385 -0.9790166), wk = 0.0029586 k( 224) = ( 0.3023483 -0.5224128 -0.9974887), wk = 0.0029586 k( 225) = ( 0.3079474 -0.5320871 -1.0159607), wk = 0.0029586 k( 226) = ( 0.3135464 -0.5417615 -1.0344327), wk = 0.0029586 k( 227) = ( 0.3191455 -0.5514358 -1.0529047), wk = 0.0029586 k( 228) = ( 0.3247445 -0.5611101 -1.0713767), wk = 0.0029586 k( 229) = ( 0.3303435 -0.5707844 -1.0898487), wk = 0.0029586 k( 230) = ( 0.3359426 -0.5804587 -1.1083207), wk = 0.0029586 k( 231) = ( 0.3415416 -0.5901330 -1.1267927), wk = 0.0029586 k( 232) = ( 0.6584584 -0.4558765 -1.0455519), wk = 0.0029586 k( 233) = ( 0.6527991 -0.4348003 -1.0455519), wk = 0.0029586 k( 234) = ( 0.6471399 -0.4137242 -1.0455519), wk = 0.0029586 k( 235) = ( 0.6414807 -0.3926480 -1.0455519), wk = 0.0029586 k( 236) = ( 0.6358215 -0.3715718 -1.0455519), wk = 0.0029586 k( 237) = ( 0.6301622 -0.3504956 -1.0455519), wk = 0.0029586 k( 238) = ( 0.6245030 -0.3294195 -1.0455519), wk = 0.0029586 k( 239) = ( 0.6188438 -0.3083433 -1.0455519), wk = 0.0029586 k( 240) = ( 0.6131846 -0.2872671 -1.0455519), wk = 0.0029586 k( 241) = ( 0.6075253 -0.2661909 -1.0455519), wk = 0.0029586 k( 242) = ( 0.6018661 -0.2451148 -1.0455519), wk = 0.0029586 k( 243) = ( 0.5962069 -0.2240386 -1.0455519), wk = 0.0029586 k( 244) = ( 0.5905476 -0.2029624 -1.0455519), wk = 0.0029586 k( 245) = ( 0.5848884 -0.1818862 -1.0455519), wk = 0.0029586 k( 246) = ( 0.5792292 -0.1608100 -1.0455519), wk = 0.0029586 k( 247) = ( 0.5735700 -0.1397338 -1.0455519), wk = 0.0029586 k( 248) = ( 0.5679107 -0.1186577 -1.0455519), wk = 0.0029586 k( 249) = ( 0.5622515 -0.0975815 -1.0455519), wk = 0.0029586 k( 250) = ( 0.5565923 -0.0765053 -1.0455519), wk = 0.0029586 k( 251) = ( 0.5509331 -0.0554291 -1.0455519), wk = 0.0029586 k( 252) = ( 0.5452738 -0.0343529 -1.0455519), wk = 0.0029586 k( 253) = ( 0.5396146 -0.0132768 -1.0455519), wk = 0.0029586 k( 254) = ( 0.5339554 0.0077994 -1.0455519), wk = 0.0029586 k( 255) = ( 0.5282961 0.0288756 -1.0455519), wk = 0.0029586 k( 256) = ( 0.5226369 0.0499518 -1.0455519), wk = 0.0029586 k( 257) = ( 0.5169777 0.0710280 -1.0455519), wk = 0.0029586 k( 258) = ( 0.5113185 0.0921041 -1.0455519), wk = 0.0029586 k( 259) = ( 0.5056592 0.1131803 -1.0455519), wk = 0.0029586 k( 260) = ( 0.5000000 0.1342565 -1.0455519), wk = 0.0029586 k( 261) = ( 0.5000000 0.1342565 -1.0455519), wk = 0.0029586 k( 262) = ( 0.5176065 0.1389841 -1.0365251), wk = 0.0029586 k( 263) = ( 0.5352130 0.1437116 -1.0274983), wk = 0.0029586 k( 264) = ( 0.5528195 0.1484392 -1.0184716), wk = 0.0029586 k( 265) = ( 0.5704259 0.1531668 -1.0094448), wk = 0.0029586 k( 266) = ( 0.5880324 0.1578943 -1.0004181), wk = 0.0029586 k( 267) = ( 0.6056389 0.1626219 -0.9913913), wk = 0.0029586 k( 268) = ( 0.6232454 0.1673495 -0.9823645), wk = 0.0029586 k( 269) = ( 0.6408519 0.1720770 -0.9733378), wk = 0.0029586 k( 270) = ( 0.6584584 0.1768046 -0.9643110), wk = 0.0029586 k( 271) = ( 0.6584584 0.1768046 -0.9643110), wk = 0.0029586 k( 272) = ( 0.6552245 0.1759363 -0.9429732), wk = 0.0029586 k( 273) = ( 0.6519907 0.1750680 -0.9216354), wk = 0.0029586 k( 274) = ( 0.6487568 0.1741996 -0.9002976), wk = 0.0029586 k( 275) = ( 0.6455230 0.1733313 -0.8789598), wk = 0.0029586 k( 276) = ( 0.6422891 0.1724630 -0.8576220), wk = 0.0029586 k( 277) = ( 0.6390553 0.1715946 -0.8362842), wk = 0.0029586 k( 278) = ( 0.6358215 0.1707263 -0.8149464), wk = 0.0029586 k( 279) = ( 0.6325876 0.1698580 -0.7936086), wk = 0.0029586 k( 280) = ( 0.6293538 0.1689897 -0.7722709), wk = 0.0029586 k( 281) = ( 0.6261199 0.1681213 -0.7509331), wk = 0.0029586 k( 282) = ( 0.6228861 0.1672530 -0.7295953), wk = 0.0029586 k( 283) = ( 0.6196522 0.1663847 -0.7082575), wk = 0.0029586 k( 284) = ( 0.6164184 0.1655163 -0.6869197), wk = 0.0029586 k( 285) = ( 0.6131846 0.1646480 -0.6655819), wk = 0.0029586 k( 286) = ( 0.6099507 0.1637797 -0.6442441), wk = 0.0029586 k( 287) = ( 0.6067169 0.1629113 -0.6229063), wk = 0.0029586 k( 288) = ( 0.6034830 0.1620430 -0.6015685), wk = 0.0029586 k( 289) = ( 0.6002492 0.1611747 -0.5802307), wk = 0.0029586 k( 290) = ( 0.5970153 0.1603064 -0.5588929), wk = 0.0029586 k( 291) = ( 0.5937815 0.1594380 -0.5375551), wk = 0.0029586 k( 292) = ( 0.5905476 0.1585697 -0.5162173), wk = 0.0029586 k( 293) = ( 0.5873138 0.1577014 -0.4948795), wk = 0.0029586 k( 294) = ( 0.5840800 0.1568330 -0.4735417), wk = 0.0029586 k( 295) = ( 0.5808461 0.1559647 -0.4522040), wk = 0.0029586 k( 296) = ( 0.5776123 0.1550964 -0.4308662), wk = 0.0029586 k( 297) = ( 0.5743784 0.1542281 -0.4095284), wk = 0.0029586 k( 298) = ( 0.5711446 0.1533597 -0.3881906), wk = 0.0029586 k( 299) = ( 0.5679107 0.1524914 -0.3668528), wk = 0.0029586 k( 300) = ( 0.5646769 0.1516231 -0.3455150), wk = 0.0029586 k( 301) = ( 0.5614430 0.1507547 -0.3241772), wk = 0.0029586 k( 302) = ( 0.5582092 0.1498864 -0.3028394), wk = 0.0029586 k( 303) = ( 0.5549753 0.1490181 -0.2815016), wk = 0.0029586 k( 304) = ( 0.5517415 0.1481498 -0.2601638), wk = 0.0029586 k( 305) = ( 0.5485077 0.1472814 -0.2388260), wk = 0.0029586 k( 306) = ( 0.5452738 0.1464131 -0.2174882), wk = 0.0029586 k( 307) = ( 0.5420400 0.1455448 -0.1961504), wk = 0.0029586 k( 308) = ( 0.5388061 0.1446764 -0.1748126), wk = 0.0029586 k( 309) = ( 0.5355723 0.1438081 -0.1534749), wk = 0.0029586 k( 310) = ( 0.5323384 0.1429398 -0.1321371), wk = 0.0029586 k( 311) = ( 0.5291046 0.1420714 -0.1107993), wk = 0.0029586 k( 312) = ( 0.5258708 0.1412031 -0.0894615), wk = 0.0029586 k( 313) = ( 0.5226369 0.1403348 -0.0681237), wk = 0.0029586 k( 314) = ( 0.5194031 0.1394665 -0.0467859), wk = 0.0029586 k( 315) = ( 0.5161692 0.1385981 -0.0254481), wk = 0.0029586 k( 316) = ( 0.5129354 0.1377298 -0.0041103), wk = 0.0029586 k( 317) = ( 0.5097015 0.1368615 0.0172275), wk = 0.0029586 k( 318) = ( 0.5064677 0.1359931 0.0385653), wk = 0.0029586 k( 319) = ( 0.5032338 0.1351248 0.0599031), wk = 0.0029586 k( 320) = ( 0.5000000 0.1342565 0.0812409), wk = 0.0029586 k( 321) = ( 0.5000000 -0.8639255 -0.5227759), wk = 0.0029586 k( 322) = ( 0.5186422 -0.8560280 -0.5179971), wk = 0.0029586 k( 323) = ( 0.5372843 -0.8481306 -0.5132182), wk = 0.0029586 k( 324) = ( 0.5559265 -0.8402331 -0.5084393), wk = 0.0029586 k( 325) = ( 0.5745687 -0.8323357 -0.5036604), wk = 0.0029586 k( 326) = ( 0.5932108 -0.8244383 -0.4988816), wk = 0.0029586 k( 327) = ( 0.6118530 -0.8165408 -0.4941027), wk = 0.0029586 k( 328) = ( 0.6304951 -0.8086434 -0.4893238), wk = 0.0029586 k( 329) = ( 0.6491373 -0.8007459 -0.4845449), wk = 0.0029586 k( 330) = ( 0.6677795 -0.7928485 -0.4797661), wk = 0.0029586 k( 331) = ( 0.6864216 -0.7849511 -0.4749872), wk = 0.0029586 k( 332) = ( 0.7050638 -0.7770536 -0.4702083), wk = 0.0029586 k( 333) = ( 0.7237059 -0.7691562 -0.4654294), wk = 0.0029586 k( 334) = ( 0.7423481 -0.7612587 -0.4606506), wk = 0.0029586 k( 335) = ( 0.7609903 -0.7533613 -0.4558717), wk = 0.0029586 k( 336) = ( 0.7796324 -0.7454639 -0.4510928), wk = 0.0029586 k( 337) = ( 0.7982746 -0.7375664 -0.4463139), wk = 0.0029586 k( 338) = ( 0.8169167 -0.7296690 -0.4415351), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0096154 -0.0000000 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0288462 -0.0000000 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0480769 0.0000000 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0576923 -0.0000000 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0673077 0.0000000 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0865385 0.0000000 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0961538 0.0000000 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1057692 0.0000000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1346154 0.0000000 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1442308 0.0000000 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0029586 k( 18) = ( 0.1634615 -0.0000000 -0.0000000), wk = 0.0029586 k( 19) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0029586 k( 20) = ( 0.1826923 0.0000000 -0.0000000), wk = 0.0029586 k( 21) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0029586 k( 22) = ( 0.2019231 0.0000000 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2115385 0.0000000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2211539 -0.0000000 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0029586 k( 26) = ( 0.2403846 0.0000000 -0.0000000), wk = 0.0029586 k( 27) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029586 k( 28) = ( 0.2596154 -0.0000000 -0.0000000), wk = 0.0029586 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0029586 k( 30) = ( 0.2788462 0.0000000 -0.0000000), wk = 0.0029586 k( 31) = ( 0.2884615 0.0000000 -0.0000000), wk = 0.0029586 k( 32) = ( 0.2980769 0.0000000 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0029586 k( 34) = ( 0.3173077 0.0000000 -0.0000000), wk = 0.0029586 k( 35) = ( 0.3269231 -0.0000000 -0.0000000), wk = 0.0029586 k( 36) = ( 0.3365385 -0.0000000 -0.0000000), wk = 0.0029586 k( 37) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0029586 k( 38) = ( 0.3557692 0.0000000 -0.0000000), wk = 0.0029586 k( 39) = ( 0.3653846 0.0000000 -0.0000000), wk = 0.0029586 k( 40) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029586 k( 41) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.3942308 -0.0000000 -0.0000000), wk = 0.0029586 k( 43) = ( 0.4038462 0.0000000 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4134615 0.0000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.4326923 -0.0000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4423077 0.0000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4519231 -0.0000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4711538 0.0000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4903846 0.0000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.5000000 0.0055480 -0.0055480), wk = 0.0029586 k( 56) = ( 0.5000000 0.0110959 -0.0110960), wk = 0.0029586 k( 57) = ( 0.5000000 0.0166439 -0.0166439), wk = 0.0029586 k( 58) = ( 0.5000000 0.0221919 -0.0221919), wk = 0.0029586 k( 59) = ( 0.5000000 0.0277399 -0.0277399), wk = 0.0029586 k( 60) = ( 0.5000000 0.0332879 -0.0332879), wk = 0.0029586 k( 61) = ( 0.5000000 0.0388358 -0.0388358), wk = 0.0029586 k( 62) = ( 0.5000000 0.0443838 -0.0443838), wk = 0.0029586 k( 63) = ( 0.5000000 0.0499318 -0.0499318), wk = 0.0029586 k( 64) = ( 0.5000000 0.0554798 -0.0554798), wk = 0.0029586 k( 65) = ( 0.5000000 0.0610277 -0.0610278), wk = 0.0029586 k( 66) = ( 0.5000000 0.0665757 -0.0665757), wk = 0.0029586 k( 67) = ( 0.5000000 0.0721237 -0.0721237), wk = 0.0029586 k( 68) = ( 0.5000000 0.0776717 -0.0776717), wk = 0.0029586 k( 69) = ( 0.5000000 0.0832197 -0.0832197), wk = 0.0029586 k( 70) = ( 0.5000000 0.0887676 -0.0887676), wk = 0.0029586 k( 71) = ( 0.5000000 0.0943156 -0.0943156), wk = 0.0029586 k( 72) = ( 0.5000000 0.0998636 -0.0998636), wk = 0.0029586 k( 73) = ( 0.5000000 0.1054116 -0.1054116), wk = 0.0029586 k( 74) = ( 0.5000000 0.1109596 -0.1109596), wk = 0.0029586 k( 75) = ( 0.5000000 0.1165075 -0.1165075), wk = 0.0029586 k( 76) = ( 0.5000000 0.1220555 -0.1220555), wk = 0.0029586 k( 77) = ( 0.5000000 0.1276035 -0.1276035), wk = 0.0029586 k( 78) = ( 0.5000000 0.1331515 -0.1331515), wk = 0.0029586 k( 79) = ( 0.5000000 0.1386994 -0.1386994), wk = 0.0029586 k( 80) = ( 0.5000000 0.1442474 -0.1442474), wk = 0.0029586 k( 81) = ( 0.5000000 0.1497954 -0.1497954), wk = 0.0029586 k( 82) = ( 0.5000000 0.1553434 -0.1553434), wk = 0.0029586 k( 83) = ( 0.5000000 0.1608913 -0.1608914), wk = 0.0029586 k( 84) = ( 0.5000000 0.1664393 -0.1664393), wk = 0.0029586 k( 85) = ( 0.5000000 0.1719873 -0.1719873), wk = 0.0029586 k( 86) = ( 0.5000000 0.1775353 -0.1775353), wk = 0.0029586 k( 87) = ( 0.5000000 0.1830833 -0.1830833), wk = 0.0029586 k( 88) = ( 0.8169167 0.5000000 0.1830833), wk = 0.0029586 k( 89) = ( 0.8112575 0.5000000 0.1887425), wk = 0.0029586 k( 90) = ( 0.8055983 0.5000000 0.1944017), wk = 0.0029586 k( 91) = ( 0.7999391 0.5000000 0.2000609), wk = 0.0029586 k( 92) = ( 0.7942798 0.5000000 0.2057202), wk = 0.0029586 k( 93) = ( 0.7886206 0.5000000 0.2113794), wk = 0.0029586 k( 94) = ( 0.7829614 0.5000000 0.2170386), wk = 0.0029586 k( 95) = ( 0.7773022 0.5000000 0.2226978), wk = 0.0029586 k( 96) = ( 0.7716429 0.5000000 0.2283571), wk = 0.0029586 k( 97) = ( 0.7659837 0.5000000 0.2340163), wk = 0.0029586 k( 98) = ( 0.7603245 0.5000000 0.2396755), wk = 0.0029586 k( 99) = ( 0.7546652 0.5000000 0.2453348), wk = 0.0029586 k( 100) = ( 0.7490060 0.5000000 0.2509940), wk = 0.0029586 k( 101) = ( 0.7433468 0.5000000 0.2566532), wk = 0.0029586 k( 102) = ( 0.7376876 0.5000000 0.2623124), wk = 0.0029586 k( 103) = ( 0.7320283 0.5000000 0.2679717), wk = 0.0029586 k( 104) = ( 0.7263691 0.5000000 0.2736309), wk = 0.0029586 k( 105) = ( 0.7207099 0.5000000 0.2792901), wk = 0.0029586 k( 106) = ( 0.7150507 0.5000000 0.2849493), wk = 0.0029586 k( 107) = ( 0.7093914 0.5000000 0.2906086), wk = 0.0029586 k( 108) = ( 0.7037322 0.5000000 0.2962678), wk = 0.0029586 k( 109) = ( 0.6980730 0.5000000 0.3019270), wk = 0.0029586 k( 110) = ( 0.6924137 0.5000000 0.3075863), wk = 0.0029586 k( 111) = ( 0.6867545 0.5000000 0.3132455), wk = 0.0029586 k( 112) = ( 0.6810953 0.5000000 0.3189047), wk = 0.0029586 k( 113) = ( 0.6754360 0.5000000 0.3245639), wk = 0.0029586 k( 114) = ( 0.6697768 0.5000000 0.3302232), wk = 0.0029586 k( 115) = ( 0.6641176 0.5000000 0.3358824), wk = 0.0029586 k( 116) = ( 0.6584584 0.5000000 0.3415416), wk = 0.0029586 k( 117) = ( 0.6527991 0.5000000 0.3472009), wk = 0.0029586 k( 118) = ( 0.6471399 0.5000000 0.3528601), wk = 0.0029586 k( 119) = ( 0.6414807 0.5000000 0.3585193), wk = 0.0029586 k( 120) = ( 0.6358215 0.5000000 0.3641785), wk = 0.0029586 k( 121) = ( 0.6301622 0.5000000 0.3698378), wk = 0.0029586 k( 122) = ( 0.6245030 0.5000000 0.3754970), wk = 0.0029586 k( 123) = ( 0.6188438 0.5000000 0.3811562), wk = 0.0029586 k( 124) = ( 0.6131846 0.5000000 0.3868154), wk = 0.0029586 k( 125) = ( 0.6075253 0.5000000 0.3924747), wk = 0.0029586 k( 126) = ( 0.6018661 0.5000000 0.3981339), wk = 0.0029586 k( 127) = ( 0.5962069 0.5000000 0.4037931), wk = 0.0029586 k( 128) = ( 0.5905476 0.5000000 0.4094524), wk = 0.0029586 k( 129) = ( 0.5848884 0.5000000 0.4151116), wk = 0.0029586 k( 130) = ( 0.5792292 0.5000000 0.4207708), wk = 0.0029586 k( 131) = ( 0.5735700 0.5000000 0.4264300), wk = 0.0029586 k( 132) = ( 0.5679107 0.5000000 0.4320893), wk = 0.0029586 k( 133) = ( 0.5622515 0.5000000 0.4377485), wk = 0.0029586 k( 134) = ( 0.5565923 0.5000000 0.4434077), wk = 0.0029586 k( 135) = ( 0.5509331 0.5000000 0.4490669), wk = 0.0029586 k( 136) = ( 0.5452738 0.5000000 0.4547262), wk = 0.0029586 k( 137) = ( 0.5396146 0.5000000 0.4603854), wk = 0.0029586 k( 138) = ( 0.5339554 0.5000000 0.4660446), wk = 0.0029586 k( 139) = ( 0.5282961 0.5000000 0.4717039), wk = 0.0029586 k( 140) = ( 0.5226369 0.5000000 0.4773631), wk = 0.0029586 k( 141) = ( 0.5169777 0.5000000 0.4830223), wk = 0.0029586 k( 142) = ( 0.5113185 0.5000000 0.4886815), wk = 0.0029586 k( 143) = ( 0.5056592 0.5000000 0.4943408), wk = 0.0029586 k( 144) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 145) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 146) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0029586 k( 147) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0029586 k( 148) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0029586 k( 149) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0029586 k( 150) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0029586 k( 151) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 152) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0029586 k( 153) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0029586 k( 154) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0029586 k( 155) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0029586 k( 156) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0029586 k( 157) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 158) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0029586 k( 159) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0029586 k( 160) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0029586 k( 161) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0029586 k( 162) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0029586 k( 163) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 164) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0029586 k( 165) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0029586 k( 166) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0029586 k( 167) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0029586 k( 168) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0029586 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 171) = ( 0.0055990 -0.0000000 -0.0055990), wk = 0.0029586 k( 172) = ( 0.0111981 0.0000000 -0.0111981), wk = 0.0029586 k( 173) = ( 0.0167971 0.0000000 -0.0167971), wk = 0.0029586 k( 174) = ( 0.0223962 0.0000000 -0.0223962), wk = 0.0029586 k( 175) = ( 0.0279952 0.0000000 -0.0279952), wk = 0.0029586 k( 176) = ( 0.0335943 0.0000000 -0.0335943), wk = 0.0029586 k( 177) = ( 0.0391933 -0.0000000 -0.0391933), wk = 0.0029586 k( 178) = ( 0.0447923 0.0000000 -0.0447923), wk = 0.0029586 k( 179) = ( 0.0503914 0.0000000 -0.0503914), wk = 0.0029586 k( 180) = ( 0.0559904 0.0000000 -0.0559904), wk = 0.0029586 k( 181) = ( 0.0615895 0.0000000 -0.0615895), wk = 0.0029586 k( 182) = ( 0.0671885 0.0000000 -0.0671885), wk = 0.0029586 k( 183) = ( 0.0727876 -0.0000000 -0.0727876), wk = 0.0029586 k( 184) = ( 0.0783866 -0.0000000 -0.0783866), wk = 0.0029586 k( 185) = ( 0.0839856 -0.0000000 -0.0839856), wk = 0.0029586 k( 186) = ( 0.0895847 -0.0000000 -0.0895847), wk = 0.0029586 k( 187) = ( 0.0951837 0.0000000 -0.0951837), wk = 0.0029586 k( 188) = ( 0.1007828 0.0000000 -0.1007828), wk = 0.0029586 k( 189) = ( 0.1063818 0.0000000 -0.1063818), wk = 0.0029586 k( 190) = ( 0.1119809 0.0000000 -0.1119809), wk = 0.0029586 k( 191) = ( 0.1175799 -0.0000000 -0.1175799), wk = 0.0029586 k( 192) = ( 0.1231789 0.0000000 -0.1231790), wk = 0.0029586 k( 193) = ( 0.1287780 0.0000000 -0.1287780), wk = 0.0029586 k( 194) = ( 0.1343770 -0.0000000 -0.1343770), wk = 0.0029586 k( 195) = ( 0.1399761 0.0000000 -0.1399761), wk = 0.0029586 k( 196) = ( 0.1455751 -0.0000000 -0.1455751), wk = 0.0029586 k( 197) = ( 0.1511742 -0.0000000 -0.1511742), wk = 0.0029586 k( 198) = ( 0.1567732 -0.0000000 -0.1567732), wk = 0.0029586 k( 199) = ( 0.1623722 -0.0000000 -0.1623723), wk = 0.0029586 k( 200) = ( 0.1679713 -0.0000000 -0.1679713), wk = 0.0029586 k( 201) = ( 0.1735703 -0.0000000 -0.1735703), wk = 0.0029586 k( 202) = ( 0.1791694 -0.0000000 -0.1791694), wk = 0.0029586 k( 203) = ( 0.1847684 0.0000000 -0.1847684), wk = 0.0029586 k( 204) = ( 0.1903675 0.0000000 -0.1903675), wk = 0.0029586 k( 205) = ( 0.1959665 -0.0000000 -0.1959665), wk = 0.0029586 k( 206) = ( 0.2015656 -0.0000000 -0.2015656), wk = 0.0029586 k( 207) = ( 0.2071646 -0.0000000 -0.2071646), wk = 0.0029586 k( 208) = ( 0.2127636 0.0000000 -0.2127636), wk = 0.0029586 k( 209) = ( 0.2183627 0.0000000 -0.2183627), wk = 0.0029586 k( 210) = ( 0.2239617 0.0000000 -0.2239617), wk = 0.0029586 k( 211) = ( 0.2295608 -0.0000000 -0.2295608), wk = 0.0029586 k( 212) = ( 0.2351598 -0.0000000 -0.2351598), wk = 0.0029586 k( 213) = ( 0.2407588 -0.0000000 -0.2407589), wk = 0.0029586 k( 214) = ( 0.2463579 0.0000000 -0.2463579), wk = 0.0029586 k( 215) = ( 0.2519569 0.0000000 -0.2519569), wk = 0.0029586 k( 216) = ( 0.2575560 0.0000000 -0.2575560), wk = 0.0029586 k( 217) = ( 0.2631550 0.0000000 -0.2631550), wk = 0.0029586 k( 218) = ( 0.2687541 -0.0000000 -0.2687541), wk = 0.0029586 k( 219) = ( 0.2743531 -0.0000000 -0.2743531), wk = 0.0029586 k( 220) = ( 0.2799522 -0.0000000 -0.2799522), wk = 0.0029586 k( 221) = ( 0.2855512 0.0000000 -0.2855512), wk = 0.0029586 k( 222) = ( 0.2911502 -0.0000000 -0.2911502), wk = 0.0029586 k( 223) = ( 0.2967493 -0.0000000 -0.2967493), wk = 0.0029586 k( 224) = ( 0.3023483 0.0000000 -0.3023483), wk = 0.0029586 k( 225) = ( 0.3079474 0.0000000 -0.3079474), wk = 0.0029586 k( 226) = ( 0.3135464 -0.0000000 -0.3135464), wk = 0.0029586 k( 227) = ( 0.3191455 -0.0000000 -0.3191455), wk = 0.0029586 k( 228) = ( 0.3247445 -0.0000000 -0.3247445), wk = 0.0029586 k( 229) = ( 0.3303435 -0.0000000 -0.3303435), wk = 0.0029586 k( 230) = ( 0.3359426 -0.0000000 -0.3359426), wk = 0.0029586 k( 231) = ( 0.3415416 -0.0000000 -0.3415416), wk = 0.0029586 k( 232) = ( 0.6584584 0.3415416 -0.0000000), wk = 0.0029586 k( 233) = ( 0.6527991 0.3472009 -0.0000000), wk = 0.0029586 k( 234) = ( 0.6471399 0.3528601 -0.0000000), wk = 0.0029586 k( 235) = ( 0.6414807 0.3585193 -0.0000000), wk = 0.0029586 k( 236) = ( 0.6358215 0.3641785 -0.0000000), wk = 0.0029586 k( 237) = ( 0.6301622 0.3698378 -0.0000000), wk = 0.0029586 k( 238) = ( 0.6245030 0.3754970 -0.0000000), wk = 0.0029586 k( 239) = ( 0.6188438 0.3811562 -0.0000000), wk = 0.0029586 k( 240) = ( 0.6131846 0.3868154 -0.0000000), wk = 0.0029586 k( 241) = ( 0.6075253 0.3924747 -0.0000000), wk = 0.0029586 k( 242) = ( 0.6018661 0.3981339 -0.0000000), wk = 0.0029586 k( 243) = ( 0.5962069 0.4037931 -0.0000000), wk = 0.0029586 k( 244) = ( 0.5905476 0.4094524 -0.0000000), wk = 0.0029586 k( 245) = ( 0.5848884 0.4151116 -0.0000000), wk = 0.0029586 k( 246) = ( 0.5792292 0.4207708 -0.0000000), wk = 0.0029586 k( 247) = ( 0.5735700 0.4264300 -0.0000000), wk = 0.0029586 k( 248) = ( 0.5679107 0.4320893 -0.0000000), wk = 0.0029586 k( 249) = ( 0.5622515 0.4377485 0.0000000), wk = 0.0029586 k( 250) = ( 0.5565923 0.4434077 -0.0000000), wk = 0.0029586 k( 251) = ( 0.5509331 0.4490669 -0.0000000), wk = 0.0029586 k( 252) = ( 0.5452738 0.4547262 -0.0000000), wk = 0.0029586 k( 253) = ( 0.5396146 0.4603854 -0.0000000), wk = 0.0029586 k( 254) = ( 0.5339554 0.4660446 -0.0000000), wk = 0.0029586 k( 255) = ( 0.5282961 0.4717039 -0.0000000), wk = 0.0029586 k( 256) = ( 0.5226369 0.4773631 -0.0000000), wk = 0.0029586 k( 257) = ( 0.5169777 0.4830223 0.0000000), wk = 0.0029586 k( 258) = ( 0.5113185 0.4886815 -0.0000000), wk = 0.0029586 k( 259) = ( 0.5056592 0.4943408 -0.0000000), wk = 0.0029586 k( 260) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 261) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 262) = ( 0.5176065 0.5176065 0.0203426), wk = 0.0029586 k( 263) = ( 0.5352130 0.5352130 0.0406852), wk = 0.0029586 k( 264) = ( 0.5528195 0.5528195 0.0610277), wk = 0.0029586 k( 265) = ( 0.5704259 0.5704259 0.0813703), wk = 0.0029586 k( 266) = ( 0.5880324 0.5880324 0.1017129), wk = 0.0029586 k( 267) = ( 0.6056389 0.6056389 0.1220555), wk = 0.0029586 k( 268) = ( 0.6232454 0.6232454 0.1423981), wk = 0.0029586 k( 269) = ( 0.6408519 0.6408519 0.1627407), wk = 0.0029586 k( 270) = ( 0.6584584 0.6584584 0.1830833), wk = 0.0029586 k( 271) = ( 0.6584584 0.6584584 0.1830833), wk = 0.0029586 k( 272) = ( 0.6552245 0.6552245 0.1895509), wk = 0.0029586 k( 273) = ( 0.6519907 0.6519907 0.1960186), wk = 0.0029586 k( 274) = ( 0.6487568 0.6487568 0.2024863), wk = 0.0029586 k( 275) = ( 0.6455230 0.6455230 0.2089540), wk = 0.0029586 k( 276) = ( 0.6422891 0.6422891 0.2154217), wk = 0.0029586 k( 277) = ( 0.6390553 0.6390553 0.2218894), wk = 0.0029586 k( 278) = ( 0.6358215 0.6358215 0.2283571), wk = 0.0029586 k( 279) = ( 0.6325876 0.6325876 0.2348248), wk = 0.0029586 k( 280) = ( 0.6293538 0.6293538 0.2412924), wk = 0.0029586 k( 281) = ( 0.6261199 0.6261199 0.2477601), wk = 0.0029586 k( 282) = ( 0.6228861 0.6228861 0.2542278), wk = 0.0029586 k( 283) = ( 0.6196522 0.6196522 0.2606955), wk = 0.0029586 k( 284) = ( 0.6164184 0.6164184 0.2671632), wk = 0.0029586 k( 285) = ( 0.6131846 0.6131846 0.2736309), wk = 0.0029586 k( 286) = ( 0.6099507 0.6099507 0.2800986), wk = 0.0029586 k( 287) = ( 0.6067169 0.6067169 0.2865663), wk = 0.0029586 k( 288) = ( 0.6034830 0.6034830 0.2930340), wk = 0.0029586 k( 289) = ( 0.6002492 0.6002492 0.2995016), wk = 0.0029586 k( 290) = ( 0.5970153 0.5970153 0.3059693), wk = 0.0029586 k( 291) = ( 0.5937815 0.5937815 0.3124370), wk = 0.0029586 k( 292) = ( 0.5905476 0.5905476 0.3189047), wk = 0.0029586 k( 293) = ( 0.5873138 0.5873138 0.3253724), wk = 0.0029586 k( 294) = ( 0.5840800 0.5840800 0.3318401), wk = 0.0029586 k( 295) = ( 0.5808461 0.5808461 0.3383078), wk = 0.0029586 k( 296) = ( 0.5776123 0.5776123 0.3447755), wk = 0.0029586 k( 297) = ( 0.5743784 0.5743784 0.3512432), wk = 0.0029586 k( 298) = ( 0.5711446 0.5711446 0.3577109), wk = 0.0029586 k( 299) = ( 0.5679107 0.5679107 0.3641785), wk = 0.0029586 k( 300) = ( 0.5646769 0.5646769 0.3706462), wk = 0.0029586 k( 301) = ( 0.5614430 0.5614430 0.3771139), wk = 0.0029586 k( 302) = ( 0.5582092 0.5582092 0.3835816), wk = 0.0029586 k( 303) = ( 0.5549753 0.5549753 0.3900493), wk = 0.0029586 k( 304) = ( 0.5517415 0.5517415 0.3965170), wk = 0.0029586 k( 305) = ( 0.5485077 0.5485077 0.4029847), wk = 0.0029586 k( 306) = ( 0.5452738 0.5452738 0.4094524), wk = 0.0029586 k( 307) = ( 0.5420400 0.5420400 0.4159200), wk = 0.0029586 k( 308) = ( 0.5388061 0.5388061 0.4223877), wk = 0.0029586 k( 309) = ( 0.5355723 0.5355723 0.4288554), wk = 0.0029586 k( 310) = ( 0.5323384 0.5323384 0.4353231), wk = 0.0029586 k( 311) = ( 0.5291046 0.5291046 0.4417908), wk = 0.0029586 k( 312) = ( 0.5258708 0.5258708 0.4482585), wk = 0.0029586 k( 313) = ( 0.5226369 0.5226369 0.4547262), wk = 0.0029586 k( 314) = ( 0.5194031 0.5194031 0.4611939), wk = 0.0029586 k( 315) = ( 0.5161692 0.5161692 0.4676616), wk = 0.0029586 k( 316) = ( 0.5129354 0.5129354 0.4741293), wk = 0.0029586 k( 317) = ( 0.5097015 0.5097015 0.4805969), wk = 0.0029586 k( 318) = ( 0.5064677 0.5064677 0.4870646), wk = 0.0029586 k( 319) = ( 0.5032338 0.5032338 0.4935323), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 321) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 322) = ( 0.5186422 0.0200907 0.0200907), wk = 0.0029586 k( 323) = ( 0.5372843 0.0401814 0.0401814), wk = 0.0029586 k( 324) = ( 0.5559265 0.0602721 0.0602720), wk = 0.0029586 k( 325) = ( 0.5745687 0.0803627 0.0803627), wk = 0.0029586 k( 326) = ( 0.5932108 0.1004534 0.1004534), wk = 0.0029586 k( 327) = ( 0.6118530 0.1205441 0.1205441), wk = 0.0029586 k( 328) = ( 0.6304951 0.1406348 0.1406348), wk = 0.0029586 k( 329) = ( 0.6491373 0.1607255 0.1607255), wk = 0.0029586 k( 330) = ( 0.6677795 0.1808162 0.1808162), wk = 0.0029586 k( 331) = ( 0.6864216 0.2009068 0.2009068), wk = 0.0029586 k( 332) = ( 0.7050638 0.2209975 0.2209975), wk = 0.0029586 k( 333) = ( 0.7237059 0.2410882 0.2410882), wk = 0.0029586 k( 334) = ( 0.7423481 0.2611789 0.2611789), wk = 0.0029586 k( 335) = ( 0.7609903 0.2812696 0.2812696), wk = 0.0029586 k( 336) = ( 0.7796324 0.3013603 0.3013603), wk = 0.0029586 k( 337) = ( 0.7982746 0.3214509 0.3214509), wk = 0.0029586 k( 338) = ( 0.8169167 0.3415416 0.3415416), wk = 0.0029586 Dense grid: 135263 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 36149 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 262, 42) NL pseudopotentials 0.23 Mb ( 131, 116) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.03 Mb ( 3758) G-vector shells 0.02 Mb ( 3111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 262, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.15 Mb ( 116, 2, 42) The potential is recalculated from file : ./NaVS2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 7.9 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to 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total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.6 secs Computing kpt #: 34 total cpu time spent up to now is 21.1 secs Computing kpt #: 35 total cpu time spent up to now is 21.7 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.9 secs Computing kpt #: 40 total cpu time spent up to now is 24.4 secs Computing kpt #: 41 total cpu time spent up to now is 25.0 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 26.1 secs Computing kpt #: 44 total cpu time spent up to now is 26.6 secs Computing kpt #: 45 total cpu time spent up to now is 27.1 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total cpu time spent up to now is 85.1 secs Computing kpt #: 155 total cpu time spent up to now is 85.6 secs Computing kpt #: 156 total cpu time spent up to now is 86.1 secs Computing kpt #: 157 total cpu time spent up to now is 86.6 secs Computing kpt #: 158 total cpu time spent up to now is 87.1 secs Computing kpt #: 159 total cpu time spent up to now is 87.6 secs Computing kpt #: 160 total cpu time spent up to now is 88.1 secs Computing kpt #: 161 total cpu time spent up to now is 88.6 secs Computing kpt #: 162 total cpu time spent up to now is 89.1 secs Computing kpt #: 163 total cpu time spent up to now is 89.5 secs Computing kpt #: 164 total cpu time spent up to now is 90.0 secs Computing kpt #: 165 total cpu time spent up to now is 90.5 secs Computing kpt #: 166 total cpu time spent up to now is 91.0 secs Computing kpt #: 167 total cpu time spent up to now is 91.5 secs Computing kpt #: 168 total cpu time spent up to now is 92.0 secs Computing kpt #: 169 total cpu time spent up 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kpt #: 200 total cpu time spent up to now is 108.6 secs Computing kpt #: 201 total cpu time spent up to now is 109.1 secs Computing kpt #: 202 total cpu time spent up to now is 109.7 secs Computing kpt #: 203 total cpu time spent up to now is 110.2 secs Computing kpt #: 204 total cpu time spent up to now is 110.7 secs Computing kpt #: 205 total cpu time spent up to now is 111.3 secs Computing kpt #: 206 total cpu time spent up to now is 111.8 secs Computing kpt #: 207 total cpu time spent up to now is 112.3 secs Computing kpt #: 208 total cpu time spent up to now is 112.9 secs Computing kpt #: 209 total cpu time spent up to now is 113.4 secs Computing kpt #: 210 total cpu time spent up to now is 113.9 secs Computing kpt #: 211 total cpu time spent up to now is 114.4 secs Computing kpt #: 212 total cpu time spent up to now is 115.0 secs Computing kpt #: 213 total cpu time spent up to now is 115.5 secs Computing kpt #: 214 total cpu time spent up to now is 116.0 secs Computing kpt #: 215 total cpu time spent up to now is 116.5 secs Computing kpt #: 216 total cpu time spent up to now is 117.1 secs Computing kpt #: 217 total cpu time spent up to now is 117.6 secs Computing kpt #: 218 total cpu time spent up to now is 118.1 secs Computing kpt #: 219 total cpu time spent up to now is 118.6 secs Computing kpt #: 220 total cpu time spent up to now is 119.1 secs Computing kpt #: 221 total cpu time spent up to now is 119.6 secs Computing kpt #: 222 total cpu time spent up to now is 120.2 secs Computing kpt #: 223 total cpu time spent up to now is 120.7 secs Computing kpt #: 224 total cpu time spent up to now is 121.2 secs Computing kpt #: 225 total cpu time spent up to now is 121.8 secs Computing kpt #: 226 total cpu time spent up to now is 122.3 secs Computing kpt #: 227 total cpu time spent up to now is 122.8 secs Computing kpt #: 228 total cpu time spent up to now is 123.3 secs Computing kpt #: 229 total cpu time spent up to now is 123.8 secs Computing kpt #: 230 total cpu 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up to now is 132.4 secs Computing kpt #: 246 total cpu time spent up to now is 133.0 secs Computing kpt #: 247 total cpu time spent up to now is 133.5 secs Computing kpt #: 248 total cpu time spent up to now is 134.1 secs Computing kpt #: 249 total cpu time spent up to now is 134.7 secs Computing kpt #: 250 total cpu time spent up to now is 135.2 secs Computing kpt #: 251 total cpu time spent up to now is 135.8 secs Computing kpt #: 252 total cpu time spent up to now is 136.4 secs Computing kpt #: 253 total cpu time spent up to now is 136.9 secs Computing kpt #: 254 total cpu time spent up to now is 137.5 secs Computing kpt #: 255 total cpu time spent up to now is 138.1 secs Computing kpt #: 256 total cpu time spent up to now is 138.6 secs Computing kpt #: 257 total cpu time spent up to now is 139.2 secs Computing kpt #: 258 total cpu time spent up to now is 139.8 secs Computing kpt #: 259 total cpu time spent up to now is 140.3 secs Computing kpt #: 260 total cpu time spent up to now is 140.9 secs Computing kpt #: 261 total cpu time spent up to now is 141.5 secs Computing kpt #: 262 total cpu time spent up to now is 142.0 secs Computing kpt #: 263 total cpu time spent up to now is 142.6 secs Computing kpt #: 264 total cpu time spent up to now is 143.1 secs Computing kpt #: 265 total cpu time spent up to now is 143.7 secs Computing kpt #: 266 total cpu time spent up to now is 144.3 secs Computing kpt #: 267 total cpu time spent up to now is 144.8 secs Computing kpt #: 268 total cpu time spent up to now is 145.4 secs Computing kpt #: 269 total cpu time spent up to now is 145.9 secs Computing kpt #: 270 total cpu time spent up to now is 146.5 secs Computing kpt #: 271 total cpu time spent up to now is 147.0 secs Computing kpt #: 272 total cpu time spent up to now is 147.6 secs Computing kpt #: 273 total cpu time spent up to now is 148.1 secs Computing kpt #: 274 total cpu time spent up to now is 148.7 secs Computing kpt #: 275 total cpu time spent up to now is 149.2 secs Computing kpt #: 276 total cpu time spent up to now is 149.8 secs Computing kpt #: 277 total cpu time spent up to now is 150.3 secs Computing kpt #: 278 total cpu time spent up to now is 150.9 secs Computing kpt #: 279 total cpu time spent up to now is 151.4 secs Computing kpt #: 280 total cpu time spent up to now is 152.0 secs Computing kpt #: 281 total cpu time spent up to now is 152.5 secs Computing kpt #: 282 total cpu time spent up to now is 153.1 secs Computing kpt #: 283 total cpu time spent up to now is 153.7 secs Computing kpt #: 284 total cpu time spent up to now is 154.2 secs Computing kpt #: 285 total cpu time spent up to now is 154.8 secs Computing kpt #: 286 total cpu time spent up to now is 155.3 secs Computing kpt #: 287 total cpu time spent up to now is 155.9 secs Computing kpt #: 288 total cpu time spent up to now is 156.4 secs Computing kpt #: 289 total cpu time spent up to now is 157.0 secs Computing kpt #: 290 total cpu time spent up to now is 157.5 secs Computing kpt #: 291 total cpu time spent up to now is 158.0 secs Computing kpt #: 292 total cpu time spent up to now is 158.6 secs Computing kpt #: 293 total cpu time spent up to now is 159.1 secs Computing kpt #: 294 total cpu time spent up to now is 159.7 secs Computing kpt #: 295 total cpu time spent up to now is 160.2 secs Computing kpt #: 296 total cpu time spent up to now is 160.7 secs Computing kpt #: 297 total cpu time spent up to now is 161.3 secs Computing kpt #: 298 total cpu time spent up to now is 161.8 secs Computing kpt #: 299 total cpu time spent up to now is 162.3 secs Computing kpt #: 300 total cpu time spent up to now is 162.8 secs Computing kpt #: 301 total cpu time spent up to now is 163.3 secs Computing kpt #: 302 total cpu time spent up to now is 163.9 secs Computing kpt #: 303 total cpu time spent up to now is 164.4 secs Computing kpt #: 304 total cpu time spent up to now is 164.9 secs Computing kpt #: 305 total cpu time spent up to now is 165.4 secs Computing kpt #: 306 total cpu time spent up to now is 165.9 secs Computing kpt #: 307 total cpu time spent up to now is 166.4 secs Computing kpt #: 308 total cpu time spent up to now is 167.0 secs Computing kpt #: 309 total cpu time spent up to now is 167.5 secs Computing kpt #: 310 total cpu time spent up to now is 168.0 secs Computing kpt #: 311 total cpu time spent up to now is 168.5 secs Computing kpt #: 312 total cpu time spent up to now is 169.0 secs Computing kpt #: 313 total cpu time spent up to now is 169.6 secs Computing kpt #: 314 total cpu time spent up to now is 170.1 secs Computing kpt #: 315 total cpu time spent up to now is 170.6 secs Computing kpt #: 316 total cpu time spent up to now is 171.1 secs Computing kpt #: 317 total cpu time spent up to now is 171.6 secs Computing kpt #: 318 total cpu time spent up to now is 172.1 secs Computing kpt #: 319 total cpu time spent up to now is 172.6 secs Computing kpt #: 320 total cpu time spent up to now is 173.1 secs Computing kpt #: 321 total cpu time spent up to now is 173.6 secs Computing kpt #: 322 total cpu time spent up to now is 174.1 secs Computing kpt #: 323 total cpu time spent up to now is 174.7 secs Computing kpt #: 324 total cpu time spent up to now is 175.2 secs Computing kpt #: 325 total cpu time spent up to now is 175.7 secs Computing kpt #: 326 total cpu time spent up to now is 176.2 secs Computing kpt #: 327 total cpu time spent up to now is 176.8 secs Computing kpt #: 328 total cpu time spent up to now is 177.3 secs Computing kpt #: 329 total cpu time spent up to now is 177.9 secs Computing kpt #: 330 total cpu time spent up to now is 178.4 secs Computing kpt #: 331 total cpu time spent up to now is 179.0 secs Computing kpt #: 332 total cpu time spent up to now is 179.5 secs Computing kpt #: 333 total cpu time spent up to now is 180.1 secs Computing kpt #: 334 total cpu time spent up to now is 180.6 secs Computing kpt #: 335 total cpu time spent up to now is 181.2 secs Computing kpt #: 336 total cpu time spent up to now is 181.7 secs Computing kpt #: 337 total cpu time spent up to now is 182.3 secs Computing kpt #: 338 total cpu time spent up to now is 182.8 secs ethr = 2.94E-08, avg # of iterations = 12.2 total cpu time spent up to now is 182.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4467 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1639 -16.1639 -15.9877 -15.9877 -15.9833 -15.9833 -6.1299 -6.1299 -4.6875 -4.6875 2.3141 2.3141 4.4251 4.4251 4.4496 4.4496 6.3483 6.3483 6.9738 6.9738 7.0436 7.0436 7.8006 7.8006 7.8042 7.8042 8.3428 8.3428 10.5468 10.5468 10.5588 10.5588 k = 0.0096-0.0166-0.0101 ( 4474 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9834 -15.9834 -6.1290 -6.1290 -4.6873 -4.6873 2.3153 2.3153 4.4238 4.4238 4.4485 4.4485 6.3502 6.3502 6.9665 6.9665 7.0360 7.0360 7.8049 7.8049 7.8082 7.8082 8.3437 8.3437 10.5435 10.5435 10.5560 10.5560 k = 0.0192-0.0332-0.0201 ( 4482 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1319 -31.1319 -30.3711 -30.3711 -30.1826 -30.1826 -16.1641 -16.1641 -15.9877 -15.9877 -15.9835 -15.9835 -6.1261 -6.1261 -4.6867 -4.6867 2.3189 2.3189 4.4188 4.4188 4.4462 4.4462 6.3556 6.3556 6.9443 6.9443 7.0148 7.0148 7.8165 7.8165 7.8206 7.8206 8.3466 8.3466 10.5307 10.5307 10.5505 10.5505 k = 0.0288-0.0498-0.0302 ( 4483 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1320 -31.1320 -30.3713 -30.3713 -30.1826 -30.1826 -16.1641 -16.1641 -15.9877 -15.9877 -15.9837 -15.9837 -6.1214 -6.1214 -4.6856 -4.6856 2.3249 2.3249 4.4081 4.4081 4.4451 4.4451 6.3644 6.3644 6.9060 6.9060 6.9842 6.9842 7.8324 7.8324 7.8415 7.8415 8.3516 8.3516 10.5072 10.5072 10.5444 10.5444 k = 0.0385-0.0665-0.0402 ( 4486 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1321 -31.1321 -30.3715 -30.3715 -30.1826 -30.1826 -16.1642 -16.1642 -15.9878 -15.9878 -15.9839 -15.9839 -6.1148 -6.1148 -4.6841 -4.6841 2.3333 2.3333 4.3912 4.3912 4.4458 4.4458 6.3761 6.3761 6.8516 6.8516 6.9480 6.9480 7.8509 7.8509 7.8691 7.8691 8.3585 8.3585 10.4746 10.4746 10.5371 10.5371 k = 0.0481-0.0831-0.0503 ( 4484 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1322 -31.1322 -30.3717 -30.3717 -30.1826 -30.1826 -16.1644 -16.1644 -15.9878 -15.9878 -15.9841 -15.9841 -6.1064 -6.1064 -4.6821 -4.6821 2.3442 2.3442 4.3689 4.3689 4.4480 4.4480 6.3903 6.3903 6.7830 6.7830 6.9082 6.9082 7.8703 7.8703 7.9018 7.9018 8.3676 8.3676 10.4346 10.4346 10.5281 10.5281 k = 0.0577-0.0997-0.0603 ( 4488 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1324 -31.1324 -30.3720 -30.3720 -30.1826 -30.1826 -16.1645 -16.1645 -15.9879 -15.9879 -15.9844 -15.9844 -6.0961 -6.0961 -4.6798 -4.6798 2.3573 2.3573 4.3419 4.3419 4.4513 4.4513 6.4060 6.4060 6.7034 6.7034 6.8653 6.8653 7.8889 7.8889 7.9381 7.9381 8.3788 8.3788 10.3886 10.3886 10.5177 10.5177 k = 0.0673-0.1163-0.0704 ( 4487 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1327 -31.1327 -30.3723 -30.3723 -30.1826 -30.1826 -16.1647 -16.1647 -15.9879 -15.9879 -15.9847 -15.9847 -6.0840 -6.0840 -4.6770 -4.6770 2.3728 2.3728 4.3109 4.3109 4.4554 4.4554 6.4219 6.4219 6.6159 6.6159 6.8200 6.8200 7.9058 7.9058 7.9770 7.9770 8.3921 8.3921 10.3379 10.3379 10.5059 10.5059 k = 0.0769-0.1329-0.0804 ( 4487 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1329 -31.1329 -30.3727 -30.3727 -30.1826 -30.1826 -16.1649 -16.1649 -15.9881 -15.9881 -15.9850 -15.9850 -6.0701 -6.0701 -4.6739 -4.6739 2.3906 2.3906 4.2764 4.2764 4.4604 4.4604 6.4321 6.4321 6.5273 6.5273 6.7727 6.7727 7.9203 7.9203 8.0175 8.0175 8.4074 8.4074 10.2840 10.2840 10.4929 10.4929 k = 0.0865-0.1495-0.0905 ( 4494 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1332 -31.1332 -30.3731 -30.3731 -30.1827 -30.1827 -16.1652 -16.1652 -15.9882 -15.9882 -15.9854 -15.9854 -6.0543 -6.0543 -4.6704 -4.6704 2.4107 2.4107 4.2390 4.2390 4.4659 4.4659 6.3927 6.3927 6.4823 6.4823 6.7242 6.7242 7.9321 7.9321 8.0589 8.0589 8.4244 8.4244 10.2281 10.2281 10.4790 10.4790 k = 0.0962-0.1661-0.1005 ( 4493 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1335 -31.1335 -30.3736 -30.3736 -30.1827 -30.1827 -16.1654 -16.1654 -15.9885 -15.9885 -15.9857 -15.9857 -6.0369 -6.0369 -4.6665 -4.6665 2.4329 2.4329 4.1991 4.1991 4.4722 4.4722 6.2947 6.2947 6.4901 6.4901 6.6750 6.6750 7.9410 7.9410 8.1004 8.1004 8.4431 8.4431 10.1715 10.1715 10.4643 10.4643 k = 0.1058-0.1828-0.1106 ( 4499 PWs) bands (ev): -56.7421 -56.7421 -44.1235 -44.1235 -31.1339 -31.1339 -30.3741 -30.3741 -30.1827 -30.1827 -16.1658 -16.1658 -15.9888 -15.9888 -15.9860 -15.9860 -6.0177 -6.0177 -4.6622 -4.6622 2.4574 2.4574 4.1571 4.1571 4.4790 4.4790 6.1852 6.1852 6.5030 6.5030 6.6263 6.6263 7.9471 7.9471 8.1416 8.1416 8.4631 8.4631 10.1151 10.1151 10.4492 10.4492 k = 0.1154-0.1994-0.1206 ( 4498 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1342 -31.1342 -30.3746 -30.3746 -30.1827 -30.1827 -16.1661 -16.1661 -15.9892 -15.9892 -15.9862 -15.9862 -5.9968 -5.9968 -4.6576 -4.6576 2.4840 2.4840 4.1135 4.1135 4.4864 4.4864 6.0711 6.0711 6.5111 6.5111 6.5816 6.5816 7.9508 7.9508 8.1820 8.1820 8.4844 8.4844 10.0600 10.0600 10.4339 10.4339 k = 0.1250-0.2160-0.1307 ( 4496 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1346 -31.1346 -30.3752 -30.3752 -30.1827 -30.1827 -16.1664 -16.1664 -15.9897 -15.9897 -15.9864 -15.9864 -5.9743 -5.9743 -4.6527 -4.6527 2.5126 2.5126 4.0687 4.0687 4.4942 4.4942 5.9540 5.9540 6.4980 6.4980 6.5560 6.5560 7.9521 7.9521 8.2212 8.2212 8.5065 8.5065 10.0069 10.0069 10.4187 10.4187 k = 0.1346-0.2326-0.1407 ( 4502 PWs) bands (ev): -56.7419 -56.7419 -44.1233 -44.1233 -31.1350 -31.1350 -30.3759 -30.3759 -30.1827 -30.1827 -16.1668 -16.1668 -15.9903 -15.9903 -15.9865 -15.9865 -5.9502 -5.9502 -4.6474 -4.6474 2.5432 2.5432 4.0230 4.0230 4.5025 4.5025 5.8347 5.8347 6.4575 6.4575 6.5550 6.5550 7.9514 7.9514 8.2589 8.2589 8.5294 8.5294 9.9567 9.9567 10.4038 10.4038 k = 0.1442-0.2492-0.1508 ( 4504 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1355 -31.1355 -30.3765 -30.3765 -30.1827 -30.1827 -16.1672 -16.1672 -15.9910 -15.9910 -15.9866 -15.9866 -5.9246 -5.9246 -4.6419 -4.6419 2.5757 2.5757 3.9766 3.9766 4.5113 4.5113 5.7140 5.7140 6.4098 6.4098 6.5582 6.5582 7.9489 7.9489 8.2949 8.2949 8.5527 8.5527 9.9099 9.9099 10.3895 10.3895 k = 0.1538-0.2658-0.1609 ( 4504 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1360 -31.1360 -30.3772 -30.3772 -30.1827 -30.1827 -16.1676 -16.1676 -15.9917 -15.9917 -15.9867 -15.9867 -5.8974 -5.8974 -4.6362 -4.6362 2.6099 2.6099 3.9299 3.9299 4.5204 4.5204 5.5923 5.5923 6.3607 6.3607 6.5590 6.5590 7.9448 7.9448 8.3288 8.3288 8.5764 8.5764 9.8672 9.8672 10.3760 10.3760 k = 0.1635-0.2824-0.1709 ( 4502 PWs) bands (ev): -56.7417 -56.7417 -44.1231 -44.1231 -31.1364 -31.1364 -30.3779 -30.3779 -30.1827 -30.1827 -16.1680 -16.1680 -15.9925 -15.9925 -15.9867 -15.9867 -5.8688 -5.8688 -4.6302 -4.6302 2.6459 2.6459 3.8831 3.8831 4.5299 4.5299 5.4703 5.4703 6.3117 6.3117 6.5559 6.5559 7.9394 7.9394 8.3605 8.3605 8.6004 8.6004 9.8290 9.8290 10.3636 10.3636 k = 0.1731-0.2991-0.1810 ( 4499 PWs) bands (ev): -56.7416 -56.7416 -44.1231 -44.1231 -31.1369 -31.1369 -30.3787 -30.3787 -30.1827 -30.1827 -16.1685 -16.1685 -15.9933 -15.9933 -15.9867 -15.9867 -5.8387 -5.8387 -4.6240 -4.6240 2.6834 2.6834 3.8365 3.8365 4.5396 4.5396 5.3482 5.3482 6.2633 6.2633 6.5482 6.5482 7.9330 7.9330 8.3897 8.3897 8.6244 8.6244 9.7956 9.7956 10.3524 10.3524 k = 0.1827-0.3157-0.1910 ( 4499 PWs) bands (ev): -56.7415 -56.7415 -44.1230 -44.1230 -31.1374 -31.1374 -30.3795 -30.3795 -30.1827 -30.1827 -16.1689 -16.1689 -15.9942 -15.9942 -15.9867 -15.9867 -5.8074 -5.8074 -4.6177 -4.6177 2.7223 2.7223 3.7902 3.7902 4.5496 4.5496 5.2267 5.2267 6.2156 6.2156 6.5355 6.5355 7.9255 7.9255 8.4165 8.4165 8.6483 8.6483 9.7672 9.7672 10.3426 10.3426 k = 0.1923-0.3323-0.2011 ( 4503 PWs) bands (ev): -56.7414 -56.7414 -44.1229 -44.1229 -31.1380 -31.1380 -30.3803 -30.3803 -30.1827 -30.1827 -16.1694 -16.1694 -15.9951 -15.9951 -15.9867 -15.9867 -5.7748 -5.7748 -4.6112 -4.6112 2.7624 2.7624 3.7444 3.7444 4.5597 4.5597 5.1061 5.1061 6.1689 6.1689 6.5176 6.5176 7.9174 7.9174 8.4405 8.4405 8.6720 8.6720 9.7441 9.7441 10.3343 10.3343 k = 0.2019-0.3489-0.2111 ( 4501 PWs) bands (ev): -56.7413 -56.7413 -44.1228 -44.1228 -31.1385 -31.1385 -30.3811 -30.3811 -30.1827 -30.1827 -16.1699 -16.1699 -15.9960 -15.9960 -15.9866 -15.9866 -5.7410 -5.7410 -4.6046 -4.6046 2.8034 2.8034 3.6995 3.6995 4.5699 4.5699 4.9869 4.9869 6.1233 6.1233 6.4943 6.4943 7.9087 7.9087 8.4619 8.4619 8.6954 8.6954 9.7261 9.7261 10.3277 10.3277 k = 0.2115-0.3655-0.2212 ( 4498 PWs) bands (ev): -56.7412 -56.7412 -44.1228 -44.1228 -31.1391 -31.1391 -30.3819 -30.3819 -30.1827 -30.1827 -16.1705 -16.1705 -15.9969 -15.9969 -15.9866 -15.9866 -5.7060 -5.7060 -4.5979 -4.5979 2.8451 2.8451 3.6555 3.6555 4.5802 4.5802 4.8695 4.8695 6.0788 6.0788 6.4657 6.4657 7.8997 7.8997 8.4806 8.4806 8.7184 8.7184 9.7133 9.7133 10.3227 10.3227 k = 0.2212-0.3821-0.2312 ( 4499 PWs) bands (ev): -56.7412 -56.7412 -44.1227 -44.1227 -31.1396 -31.1396 -30.3827 -30.3827 -30.1827 -30.1827 -16.1710 -16.1710 -15.9978 -15.9978 -15.9866 -15.9866 -5.6701 -5.6701 -4.5913 -4.5913 2.8869 2.8869 3.6128 3.6128 4.5904 4.5904 4.7544 4.7544 6.0357 6.0357 6.4320 6.4320 7.8904 7.8904 8.4965 8.4965 8.7406 8.7406 9.7056 9.7056 10.3195 10.3195 k = 0.2308-0.3987-0.2413 ( 4499 PWs) bands (ev): -56.7411 -56.7411 -44.1226 -44.1226 -31.1402 -31.1402 -30.3836 -30.3836 -30.1827 -30.1827 -16.1715 -16.1715 -15.9988 -15.9988 -15.9865 -15.9865 -5.6331 -5.6331 -4.5846 -4.5846 2.9283 2.9283 3.5718 3.5718 4.6004 4.6004 4.6422 4.6422 5.9940 5.9940 6.3934 6.3934 7.8811 7.8811 8.5098 8.5098 8.7620 8.7620 9.7028 9.7028 10.3180 10.3180 k = 0.2404-0.4153-0.2513 ( 4501 PWs) bands (ev): -56.7410 -56.7410 -44.1225 -44.1225 -31.1408 -31.1408 -30.3844 -30.3844 -30.1827 -30.1827 -16.1721 -16.1721 -15.9997 -15.9997 -15.9865 -15.9865 -5.5953 -5.5953 -4.5781 -4.5781 2.9685 2.9685 3.5330 3.5330 4.5328 4.5328 4.6108 4.6108 5.9537 5.9537 6.3503 6.3503 7.8717 7.8717 8.5205 8.5205 8.7823 8.7823 9.7047 9.7047 10.3181 10.3181 k = 0.2500-0.4320-0.2614 ( 4499 PWs) bands (ev): -56.7409 -56.7409 -44.1225 -44.1225 -31.1414 -31.1414 -30.3853 -30.3853 -30.1827 -30.1827 -16.1727 -16.1727 -16.0007 -16.0007 -15.9864 -15.9864 -5.5568 -5.5568 -4.5716 -4.5716 3.0061 3.0061 3.4973 3.4973 4.4277 4.4277 4.6206 4.6206 5.9149 5.9149 6.3030 6.3030 7.8625 7.8625 8.5287 8.5287 8.8012 8.8012 9.7110 9.7110 10.3199 10.3199 k = 0.2596-0.4486-0.2714 ( 4507 PWs) bands (ev): -56.7408 -56.7408 -44.1224 -44.1224 -31.1420 -31.1420 -30.3862 -30.3862 -30.1827 -30.1827 -16.1733 -16.1733 -16.0017 -16.0017 -15.9864 -15.9864 -5.5175 -5.5175 -4.5653 -4.5653 3.0392 3.0392 3.4661 3.4661 4.3273 4.3273 4.6302 4.6302 5.8777 5.8777 6.2519 6.2519 7.8534 7.8534 8.5346 8.5346 8.8186 8.8186 9.7216 9.7216 10.3231 10.3231 k = 0.2692-0.4652-0.2815 ( 4509 PWs) bands (ev): -56.7407 -56.7407 -44.1223 -44.1223 -31.1426 -31.1426 -30.3870 -30.3870 -30.1826 -30.1826 -16.1739 -16.1739 -16.0026 -16.0026 -15.9864 -15.9864 -5.4777 -5.4777 -4.5592 -4.5592 3.0649 3.0649 3.4417 3.4417 4.2323 4.2323 4.6394 4.6394 5.8422 5.8422 6.1976 6.1976 7.8445 7.8445 8.5384 8.5384 8.8340 8.8340 9.7362 9.7362 10.3277 10.3277 k = 0.2788-0.4818-0.2915 ( 4507 PWs) bands (ev): -56.7406 -56.7406 -44.1222 -44.1222 -31.1431 -31.1431 -30.3879 -30.3879 -30.1826 -30.1826 -16.1744 -16.1744 -16.0036 -16.0036 -15.9863 -15.9863 -5.4374 -5.4374 -4.5534 -4.5534 3.0796 3.0796 3.4269 3.4269 4.1438 4.1438 4.6483 4.6483 5.8083 5.8083 6.1405 6.1405 7.8359 7.8359 8.5402 8.5402 8.8474 8.8474 9.7546 9.7546 10.3335 10.3335 k = 0.2885-0.4984-0.3016 ( 4508 PWs) bands (ev): -56.7405 -56.7405 -44.1222 -44.1222 -31.1437 -31.1437 -30.3887 -30.3887 -30.1826 -30.1826 -16.1750 -16.1750 -16.0045 -16.0045 -15.9862 -15.9862 -5.3968 -5.3968 -4.5478 -4.5478 3.0802 3.0802 3.4234 3.4234 4.0630 4.0630 4.6567 4.6567 5.7761 5.7761 6.0811 6.0811 7.8276 7.8276 8.5403 8.5403 8.8585 8.8585 9.7765 9.7765 10.3403 10.3403 k = 0.2981-0.5150-0.3117 ( 4515 PWs) bands (ev): -56.7404 -56.7404 -44.1221 -44.1221 -31.1443 -31.1443 -30.3896 -30.3896 -30.1826 -30.1826 -16.1756 -16.1756 -16.0054 -16.0054 -15.9862 -15.9862 -5.3558 -5.3558 -4.5427 -4.5427 3.0661 3.0661 3.4306 3.4306 3.9917 3.9917 4.6647 4.6647 5.7457 5.7457 6.0199 6.0199 7.8196 7.8196 8.5388 8.5388 8.8671 8.8671 9.8016 9.8016 10.3480 10.3480 k = 0.3077-0.5316-0.3217 ( 4516 PWs) bands (ev): -56.7403 -56.7403 -44.1220 -44.1220 -31.1448 -31.1448 -30.3904 -30.3904 -30.1826 -30.1826 -16.1762 -16.1762 -16.0063 -16.0063 -15.9861 -15.9861 -5.3148 -5.3148 -4.5381 -4.5381 3.0394 3.0394 3.4441 3.4441 3.9319 3.9319 4.6721 4.6721 5.7170 5.7170 5.9574 5.9574 7.8120 7.8120 8.5360 8.5360 8.8731 8.8731 9.8297 9.8297 10.3565 10.3565 k = 0.3173-0.5483-0.3318 ( 4515 PWs) bands (ev): -56.7402 -56.7402 -44.1220 -44.1220 -31.1454 -31.1454 -30.3912 -30.3912 -30.1826 -30.1826 -16.1768 -16.1768 -16.0071 -16.0071 -15.9861 -15.9861 -5.2737 -5.2737 -4.5339 -4.5339 3.0031 3.0031 3.4580 3.4580 3.8864 3.8864 4.6790 4.6790 5.6899 5.6899 5.8942 5.8942 7.8046 7.8046 8.5320 8.5320 8.8765 8.8765 9.8605 9.8605 10.3655 10.3655 k = 0.3269-0.5649-0.3418 ( 4517 PWs) bands (ev): -56.7401 -56.7401 -44.1219 -44.1219 -31.1459 -31.1459 -30.3919 -30.3919 -30.1826 -30.1826 -16.1773 -16.1773 -16.0079 -16.0079 -15.9860 -15.9860 -5.2328 -5.2328 -4.5303 -4.5303 2.9601 2.9601 3.4668 3.4668 3.8584 3.8584 4.6852 4.6852 5.6644 5.6644 5.8306 5.8306 7.7976 7.7976 8.5272 8.5272 8.8774 8.8774 9.8936 9.8936 10.3749 10.3749 k = 0.3365-0.5815-0.3519 ( 4521 PWs) bands (ev): -56.7401 -56.7401 -44.1218 -44.1218 -31.1464 -31.1464 -30.3927 -30.3927 -30.1826 -30.1826 -16.1779 -16.1779 -16.0088 -16.0088 -15.9860 -15.9860 -5.1921 -5.1921 -4.5274 -4.5274 2.9123 2.9123 3.4665 3.4665 3.8495 3.8495 4.6908 4.6908 5.6403 5.6403 5.7675 5.7675 7.7909 7.7909 8.5215 8.5215 8.8757 8.8757 9.9286 9.9286 10.3845 10.3845 k = 0.3462-0.5981-0.3619 ( 4522 PWs) bands (ev): -56.7400 -56.7400 -44.1218 -44.1218 -31.1469 -31.1469 -30.3934 -30.3934 -30.1825 -30.1825 -16.1784 -16.1784 -16.0095 -16.0095 -15.9859 -15.9859 -5.1517 -5.1517 -4.5251 -4.5251 2.8614 2.8614 3.4569 3.4569 3.8585 3.8585 4.6958 4.6958 5.6166 5.6166 5.7059 5.7059 7.7846 7.7846 8.5153 8.5153 8.8717 8.8717 9.9653 9.9653 10.3943 10.3943 k = 0.3558-0.6147-0.3720 ( 4525 PWs) bands (ev): -56.7399 -56.7399 -44.1217 -44.1217 -31.1474 -31.1474 -30.3941 -30.3941 -30.1825 -30.1825 -16.1790 -16.1790 -16.0103 -16.0103 -15.9859 -15.9859 -5.1118 -5.1118 -4.5237 -4.5237 2.8085 2.8085 3.4407 3.4407 3.8815 3.8815 4.7002 4.7002 5.5905 5.5905 5.6491 5.6491 7.7786 7.7786 8.5087 8.5087 8.8656 8.8656 10.0031 10.0031 10.4040 10.4040 k = 0.3654-0.6313-0.3820 ( 4519 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1478 -31.1478 -30.3948 -30.3948 -30.1825 -30.1825 -16.1794 -16.1794 -16.0109 -16.0109 -15.9858 -15.9858 -5.0725 -5.0725 -4.5231 -4.5231 2.7549 2.7549 3.4212 3.4212 3.9138 3.9138 4.7040 4.7040 5.5532 5.5532 5.6062 5.6062 7.7730 7.7730 8.5019 8.5019 8.8576 8.8576 10.0418 10.0418 10.4135 10.4135 k = 0.3750-0.6479-0.3921 ( 4517 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1483 -31.1483 -30.3954 -30.3954 -30.1824 -30.1824 -16.1799 -16.1799 -16.0116 -16.0116 -15.9857 -15.9857 -5.0340 -5.0340 -4.5234 -4.5234 2.7014 2.7014 3.4009 3.4009 3.9521 3.9521 4.7071 4.7071 5.5012 5.5012 5.5808 5.5808 7.7677 7.7677 8.4949 8.4949 8.8481 8.8481 10.0808 10.0808 10.4229 10.4229 k = 0.3846-0.6646-0.4021 ( 4519 PWs) bands (ev): -56.7397 -56.7397 -44.1215 -44.1215 -31.1487 -31.1487 -30.3960 -30.3960 -30.1824 -30.1824 -16.1803 -16.1803 -16.0122 -16.0122 -15.9857 -15.9857 -4.9963 -4.9963 -4.5248 -4.5248 2.6490 2.6490 3.3813 3.3813 3.9937 3.9937 4.7097 4.7097 5.4447 5.4447 5.5632 5.5632 7.7627 7.7627 8.4880 8.4880 8.8373 8.8373 10.1196 10.1196 10.4318 10.4318 k = 0.3942-0.6812-0.4122 ( 4516 PWs) bands (ev): -56.7396 -56.7396 -44.1215 -44.1215 -31.1490 -31.1490 -30.3965 -30.3965 -30.1824 -30.1824 -16.1807 -16.1807 -16.0127 -16.0127 -15.9856 -15.9856 -4.9595 -4.9595 -4.5272 -4.5272 2.5985 2.5985 3.3632 3.3632 4.0371 4.0371 4.7118 4.7118 5.3881 5.3881 5.5489 5.5489 7.7581 7.7581 8.4813 8.4813 8.8255 8.8255 10.1579 10.1579 10.4403 10.4403 k = 0.4038-0.6978-0.4222 ( 4520 PWs) bands (ev): -56.7396 -56.7396 -44.1214 -44.1214 -31.1494 -31.1494 -30.3970 -30.3970 -30.1824 -30.1824 -16.1812 -16.1812 -16.0133 -16.0133 -15.9856 -15.9856 -4.9239 -4.9239 -4.5308 -4.5308 2.5504 2.5504 3.3470 3.3470 4.0810 4.0810 4.7135 4.7135 5.3330 5.3330 5.5369 5.5369 7.7539 7.7539 8.4747 8.4747 8.8132 8.8132 10.1952 10.1952 10.4483 10.4483 k = 0.4135-0.7144-0.4323 ( 4518 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1497 -31.1497 -30.3975 -30.3975 -30.1824 -30.1824 -16.1815 -16.1815 -16.0137 -16.0137 -15.9855 -15.9855 -4.8894 -4.8894 -4.5356 -4.5356 2.5054 2.5054 3.3327 3.3327 4.1247 4.1247 4.7147 4.7147 5.2800 5.2800 5.5265 5.5265 7.7500 7.7500 8.4686 8.4686 8.8007 8.8007 10.2309 10.2309 10.4558 10.4558 k = 0.4231-0.7310-0.4423 ( 4521 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1500 -31.1500 -30.3979 -30.3979 -30.1824 -30.1824 -16.1818 -16.1818 -16.0142 -16.0142 -15.9855 -15.9855 -4.8563 -4.8563 -4.5418 -4.5418 2.4639 2.4639 3.3203 3.3203 4.1673 4.1673 4.7156 4.7156 5.2295 5.2295 5.5177 5.5177 7.7465 7.7465 8.4628 8.4628 8.7883 8.7883 10.2645 10.2645 10.4626 10.4626 k = 0.4327-0.7476-0.4524 ( 4520 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1503 -31.1503 -30.3983 -30.3983 -30.1824 -30.1824 -16.1821 -16.1821 -16.0146 -16.0146 -15.9854 -15.9854 -4.8245 -4.8245 -4.5493 -4.5493 2.4264 2.4264 3.3097 3.3097 4.2082 4.2082 4.7162 4.7162 5.1821 5.1821 5.5102 5.5102 7.7434 7.7434 8.4576 8.4576 8.7765 8.7765 10.2957 10.2957 10.4687 10.4687 k = 0.4423-0.7642-0.4625 ( 4514 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1505 -31.1505 -30.3986 -30.3986 -30.1824 -30.1824 -16.1824 -16.1824 -16.0149 -16.0149 -15.9854 -15.9854 -4.7942 -4.7942 -4.5582 -4.5582 2.3933 2.3933 3.3008 3.3008 4.2467 4.2467 4.7166 4.7166 5.1382 5.1382 5.5039 5.5039 7.7406 7.7406 8.4530 8.4530 8.7655 8.7655 10.3239 10.3239 10.4740 10.4740 k = 0.4519-0.7809-0.4725 ( 4521 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1507 -31.1507 -30.3989 -30.3989 -30.1824 -30.1824 -16.1826 -16.1826 -16.0152 -16.0152 -15.9854 -15.9854 -4.7655 -4.7655 -4.5686 -4.5686 2.3647 2.3647 3.2936 3.2936 4.2819 4.2819 4.7169 4.7169 5.0986 5.0986 5.4987 5.4987 7.7383 7.7383 8.4490 8.4490 8.7556 8.7556 10.3486 10.3486 10.4786 10.4786 k = 0.4615-0.7975-0.4826 ( 4519 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1509 -31.1509 -30.3991 -30.3991 -30.1824 -30.1824 -16.1828 -16.1828 -16.0154 -16.0154 -15.9853 -15.9853 -4.7384 -4.7384 -4.5805 -4.5805 2.3411 2.3411 3.2878 3.2878 4.3131 4.3131 4.7170 4.7170 5.0639 5.0639 5.4946 5.4946 7.7363 7.7363 8.4456 8.4456 8.7471 8.7471 10.3695 10.3695 10.4824 10.4824 k = 0.4712-0.8141-0.4926 ( 4523 PWs) bands (ev): -56.7393 -56.7393 -44.1213 -44.1213 -31.1510 -31.1510 -30.3993 -30.3993 -30.1823 -30.1823 -16.1830 -16.1830 -16.0156 -16.0156 -15.9853 -15.9853 -4.7130 -4.7130 -4.5940 -4.5940 2.3225 2.3225 3.2835 3.2835 4.3392 4.3392 4.7171 4.7171 5.0353 5.0353 5.4915 5.4915 7.7348 7.7348 8.4429 8.4429 8.7403 8.7403 10.3862 10.3862 10.4854 10.4854 k = 0.4808-0.8307-0.5027 ( 4529 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6896 -4.6896 -4.6090 -4.6090 2.3091 2.3091 3.2804 3.2804 4.3591 4.3591 4.7171 4.7171 5.0136 5.0136 5.4893 5.4893 7.7337 7.7337 8.4410 8.4410 8.7353 8.7353 10.3983 10.3983 10.4876 10.4876 k = 0.4904-0.8473-0.5127 ( 4525 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6684 -4.6684 -4.6249 -4.6249 2.3010 2.3010 3.2786 3.2786 4.3715 4.3715 4.7171 4.7171 5.0001 5.0001 5.4880 5.4880 7.7331 7.7331 8.4399 8.4399 8.7322 8.7322 10.4057 10.4057 10.4889 10.4889 k = 0.5000-0.8639-0.5228 ( 4522 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6553 -4.6553 -4.6363 -4.6363 2.2983 2.2983 3.2780 3.2780 4.3758 4.3758 4.7171 4.7171 4.9954 4.9954 5.4876 5.4876 7.7328 7.7328 8.4395 8.4395 8.7312 8.7312 10.4082 10.4082 10.4894 10.4894 k = 0.5000-0.8639-0.5228 ( 4522 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6553 -4.6553 -4.6363 -4.6363 2.2983 2.2983 3.2780 3.2780 4.3758 4.3758 4.7171 4.7171 4.9954 4.9954 5.4876 5.4876 7.7328 7.7328 8.4395 8.4395 8.7312 8.7312 10.4082 10.4082 10.4894 10.4894 k = 0.5000-0.8528-0.5411 ( 4522 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6551 -4.6551 -4.6360 -4.6360 2.2995 2.2995 3.2780 3.2780 4.3755 4.3755 4.7165 4.7165 4.9955 4.9955 5.4826 5.4826 7.7361 7.7361 8.4398 8.4398 8.7308 8.7308 10.4081 10.4081 10.4848 10.4848 k = 0.5000-0.8418-0.5594 ( 4524 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6545 -4.6545 -4.6350 -4.6350 2.3030 2.3030 3.2779 3.2779 4.3747 4.3747 4.7146 4.7146 4.9955 4.9955 5.4679 5.4679 7.7456 7.7456 8.4406 8.4406 8.7298 8.7298 10.4078 10.4078 10.4713 10.4713 k = 0.5000-0.8307-0.5777 ( 4528 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1824 -30.1824 -16.1832 -16.1832 -16.0159 -16.0159 -15.9854 -15.9854 -4.6534 -4.6534 -4.6334 -4.6334 2.3089 2.3089 3.2779 3.2779 4.3731 4.3731 4.7117 4.7117 4.9954 4.9954 5.4440 5.4440 7.7611 7.7611 8.4421 8.4421 8.7281 8.7281 10.4072 10.4072 10.4496 10.4496 k = 0.5000-0.8196-0.5960 ( 4532 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1513 -31.1513 -30.3997 -30.3997 -30.1824 -30.1824 -16.1832 -16.1832 -16.0159 -16.0159 -15.9855 -15.9855 -4.6519 -4.6519 -4.6311 -4.6311 2.3171 2.3171 3.2777 3.2777 4.3706 4.3706 4.7077 4.7077 4.9951 4.9951 5.4119 5.4119 7.7818 7.7818 8.4442 8.4442 8.7258 8.7258 10.4052 10.4052 10.4216 10.4216 k = 0.5000-0.8085-0.6143 ( 4532 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1513 -31.1513 -30.3998 -30.3998 -30.1824 -30.1824 -16.1832 -16.1832 -16.0160 -16.0160 -15.9856 -15.9856 -4.6501 -4.6501 -4.6282 -4.6282 2.3276 2.3276 3.2775 3.2775 4.3670 4.3670 4.7030 4.7030 4.9943 4.9943 5.3725 5.3725 7.8070 7.8070 8.4469 8.4469 8.7228 8.7228 10.3825 10.3825 10.4079 10.4079 k = 0.5000-0.7975-0.6326 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1513 -31.1513 -30.3998 -30.3998 -30.1824 -30.1824 -16.1832 -16.1832 -16.0160 -16.0160 -15.9857 -15.9857 -4.6478 -4.6478 -4.6247 -4.6247 2.3404 2.3404 3.2772 3.2772 4.3619 4.3619 4.6979 4.6979 4.9929 4.9929 5.3275 5.3275 7.8359 7.8359 8.4503 8.4503 8.7192 8.7192 10.3427 10.3427 10.4060 10.4060 k = 0.5000-0.7864-0.6509 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1514 -31.1514 -30.3999 -30.3999 -30.1824 -30.1824 -16.1832 -16.1832 -16.0160 -16.0160 -15.9858 -15.9858 -4.6451 -4.6451 -4.6207 -4.6207 2.3556 2.3556 3.2767 3.2767 4.3546 4.3546 4.6924 4.6924 4.9905 4.9905 5.2782 5.2782 7.8674 7.8674 8.4544 8.4544 8.7151 8.7151 10.2987 10.2987 10.4043 10.4043 k = 0.5000-0.7753-0.6692 ( 4532 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1515 -31.1515 -30.4001 -30.4001 -30.1824 -30.1824 -16.1832 -16.1832 -16.0161 -16.0161 -15.9860 -15.9860 -4.6421 -4.6421 -4.6162 -4.6162 2.3730 2.3730 3.2761 3.2761 4.3447 4.3447 4.6869 4.6869 4.9870 4.9870 5.2263 5.2263 7.9009 7.9009 8.4592 8.4592 8.7104 8.7104 10.2522 10.2522 10.4023 10.4023 k = 0.5000-0.7642-0.6875 ( 4526 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1515 -31.1515 -30.4002 -30.4002 -30.1824 -30.1824 -16.1832 -16.1832 -16.0161 -16.0161 -15.9861 -15.9861 -4.6387 -4.6387 -4.6111 -4.6111 2.3926 2.3926 3.2753 3.2753 4.3312 4.3312 4.6817 4.6817 4.9820 4.9820 5.1738 5.1738 7.9354 7.9354 8.4648 8.4648 8.7053 8.7053 10.2043 10.2043 10.3997 10.3997 k = 0.5000-0.7532-0.7058 ( 4524 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1516 -31.1516 -30.4003 -30.4003 -30.1824 -30.1824 -16.1832 -16.1832 -16.0161 -16.0161 -15.9863 -15.9863 -4.6350 -4.6350 -4.6057 -4.6057 2.4145 2.4145 3.2742 3.2742 4.3133 4.3133 4.6768 4.6768 4.9753 4.9753 5.1225 5.1225 7.9702 7.9702 8.4711 8.4711 8.6998 8.6998 10.1562 10.1562 10.3965 10.3965 k = 0.5000-0.7421-0.7241 ( 4522 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1517 -31.1517 -30.4005 -30.4005 -30.1824 -30.1824 -16.1833 -16.1833 -16.0162 -16.0162 -15.9865 -15.9865 -4.6309 -4.6309 -4.5999 -4.5999 2.4386 2.4386 3.2729 3.2729 4.2901 4.2901 4.6726 4.6726 4.9667 4.9667 5.0744 5.0744 8.0047 8.0047 8.4783 8.4783 8.6940 8.6940 10.1087 10.1087 10.3926 10.3926 k = 0.5000-0.7310-0.7424 ( 4516 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1518 -31.1518 -30.4006 -30.4006 -30.1824 -30.1824 -16.1833 -16.1833 -16.0162 -16.0162 -15.9866 -15.9866 -4.6265 -4.6265 -4.5938 -4.5938 2.4648 2.4648 3.2712 3.2712 4.2605 4.2605 4.6691 4.6691 4.9555 4.9555 5.0317 5.0317 8.0383 8.0383 8.4862 8.4862 8.6881 8.6881 10.0627 10.0627 10.3879 10.3879 k = 0.5000-0.7199-0.7607 ( 4516 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1519 -31.1519 -30.4008 -30.4008 -30.1825 -30.1825 -16.1833 -16.1833 -16.0163 -16.0163 -15.9868 -15.9868 -4.6219 -4.6219 -4.5874 -4.5874 2.4931 2.4931 3.2691 3.2691 4.2239 4.2239 4.6666 4.6666 4.9411 4.9411 4.9962 4.9962 8.0704 8.0704 8.4948 8.4948 8.6822 8.6822 10.0187 10.0187 10.3822 10.3822 k = 0.5000-0.7089-0.7790 ( 4522 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1520 -31.1520 -30.4010 -30.4010 -30.1825 -30.1825 -16.1834 -16.1834 -16.0164 -16.0164 -15.9870 -15.9870 -4.6170 -4.6170 -4.5809 -4.5809 2.5236 2.5236 3.2666 3.2666 4.1801 4.1801 4.6651 4.6651 4.9237 4.9237 4.9687 4.9687 8.1007 8.1007 8.5041 8.5041 8.6763 8.6763 9.9773 9.9773 10.3756 10.3756 k = 0.5000-0.6978-0.7973 ( 4522 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1521 -31.1521 -30.4012 -30.4012 -30.1825 -30.1825 -16.1834 -16.1834 -16.0165 -16.0165 -15.9872 -15.9872 -4.6118 -4.6118 -4.5742 -4.5742 2.5560 2.5560 3.2636 3.2636 4.1294 4.1294 4.6647 4.6647 4.9054 4.9054 4.9476 4.9476 8.1287 8.1287 8.5139 8.5139 8.6708 8.6708 9.9392 9.9392 10.3680 10.3680 k = 0.5000-0.6867-0.8156 ( 4518 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1522 -31.1522 -30.4013 -30.4013 -30.1825 -30.1825 -16.1834 -16.1834 -16.0166 -16.0166 -15.9873 -15.9873 -4.6065 -4.6065 -4.5676 -4.5676 2.5905 2.5905 3.2601 3.2601 4.0725 4.0725 4.6654 4.6654 4.8890 4.8890 4.9296 4.9296 8.1540 8.1540 8.5243 8.5243 8.6658 8.6658 9.9046 9.9046 10.3592 10.3592 k = 0.5000-0.6756-0.8339 ( 4512 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1523 -31.1523 -30.4015 -30.4015 -30.1825 -30.1825 -16.1834 -16.1834 -16.0167 -16.0167 -15.9875 -15.9875 -4.6010 -4.6010 -4.5610 -4.5610 2.6268 2.6268 3.2561 3.2561 4.0105 4.0105 4.6671 4.6671 4.8759 4.8759 4.9134 4.9134 8.1765 8.1765 8.5350 8.5350 8.6614 8.6614 9.8739 9.8739 10.3494 10.3494 k = 0.5000-0.6646-0.8522 ( 4522 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1524 -31.1524 -30.4017 -30.4017 -30.1825 -30.1825 -16.1835 -16.1835 -16.0168 -16.0168 -15.9877 -15.9877 -4.5953 -4.5953 -4.5547 -4.5547 2.6650 2.6650 3.2515 3.2515 3.9445 3.9445 4.6696 4.6696 4.8656 4.8656 4.8986 4.8986 8.1958 8.1958 8.5457 8.5457 8.6579 8.6579 9.8474 9.8474 10.3384 10.3384 k = 0.5000-0.6535-0.8705 ( 4520 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1525 -31.1525 -30.4019 -30.4019 -30.1825 -30.1825 -16.1836 -16.1836 -16.0169 -16.0169 -15.9878 -15.9878 -4.5896 -4.5896 -4.5485 -4.5485 2.7051 2.7051 3.2463 3.2463 3.8758 3.8758 4.6726 4.6726 4.8569 4.8569 4.8866 4.8866 8.2119 8.2119 8.5565 8.5565 8.6554 8.6554 9.8254 9.8254 10.3262 10.3262 k = 0.5000-0.6424-0.8888 ( 4520 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1526 -31.1526 -30.4021 -30.4021 -30.1826 -30.1826 -16.1836 -16.1836 -16.0170 -16.0170 -15.9880 -15.9880 -4.5837 -4.5837 -4.5428 -4.5428 2.7468 2.7468 3.2405 3.2405 3.8054 3.8054 4.6755 4.6755 4.8481 4.8481 4.8789 4.8789 8.2246 8.2246 8.5670 8.5670 8.6540 8.6540 9.8080 9.8080 10.3130 10.3130 k = 0.5000-0.6313-0.9072 ( 4522 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1527 -31.1527 -30.4022 -30.4022 -30.1826 -30.1826 -16.1837 -16.1837 -16.0171 -16.0171 -15.9881 -15.9881 -4.5778 -4.5778 -4.5375 -4.5375 2.7902 2.7902 3.2341 3.2341 3.7343 3.7343 4.6773 4.6773 4.8393 4.8393 4.8758 4.8758 8.2341 8.2341 8.5770 8.5770 8.6535 8.6535 9.7954 9.7954 10.2987 10.2987 k = 0.5000-0.6203-0.9255 ( 4524 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1528 -31.1528 -30.4024 -30.4024 -30.1826 -30.1826 -16.1837 -16.1837 -16.0172 -16.0172 -15.9882 -15.9882 -4.5719 -4.5719 -4.5327 -4.5327 2.8352 2.8352 3.2270 3.2270 3.6635 3.6635 4.6768 4.6768 4.8327 4.8327 4.8761 4.8761 8.2405 8.2405 8.5863 8.5863 8.6540 8.6540 9.7877 9.7877 10.2833 10.2833 k = 0.5000-0.6092-0.9438 ( 4520 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1529 -31.1529 -30.4025 -30.4025 -30.1826 -30.1826 -16.1837 -16.1837 -16.0173 -16.0173 -15.9883 -15.9883 -4.5660 -4.5660 -4.5286 -4.5286 2.8816 2.8816 3.2192 3.2192 3.5936 3.5936 4.6728 4.6728 4.8306 4.8306 4.8784 4.8784 8.2439 8.2439 8.5947 8.5947 8.6552 8.6552 9.7850 9.7850 10.2671 10.2671 k = 0.5000-0.5981-0.9621 ( 4520 PWs) bands (ev): -56.7390 -56.7390 -44.1209 -44.1209 -31.1530 -31.1530 -30.4026 -30.4026 -30.1826 -30.1826 -16.1838 -16.1838 -16.0174 -16.0174 -15.9884 -15.9884 -4.5602 -4.5602 -4.5254 -4.5254 2.9293 2.9293 3.2108 3.2108 3.5253 3.5253 4.6649 4.6649 4.8340 4.8340 4.8819 4.8819 8.2450 8.2450 8.6021 8.6021 8.6568 8.6568 9.7872 9.7872 10.2501 10.2501 k = 0.5000-0.5870-0.9804 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4027 -30.4027 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9885 -15.9885 -4.5545 -4.5545 -4.5229 -4.5229 2.9781 2.9781 3.2018 3.2018 3.4593 3.4593 4.6534 4.6534 4.8430 4.8430 4.8860 4.8860 8.2439 8.2439 8.6083 8.6083 8.6585 8.6585 9.7941 9.7941 10.2324 10.2324 k = 0.5000-0.5760-0.9987 ( 4516 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4028 -30.4028 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9885 -15.9885 -4.5490 -4.5490 -4.5215 -4.5215 3.0278 3.0278 3.1921 3.1921 3.3962 3.3962 4.6395 4.6395 4.8568 4.8568 4.8903 4.8903 8.2412 8.2412 8.6133 8.6133 8.6600 8.6600 9.8057 9.8057 10.2141 10.2141 k = 0.5000-0.5649-1.0170 ( 4514 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4029 -30.4029 -30.1826 -30.1826 -16.1839 -16.1839 -16.0176 -16.0176 -15.9886 -15.9886 -4.5436 -4.5436 -4.5211 -4.5211 3.0775 3.0775 3.1819 3.1819 3.3371 3.3371 4.6242 4.6242 4.8744 4.8744 4.8946 4.8946 8.2372 8.2372 8.6169 8.6169 8.6609 8.6609 9.8217 9.8217 10.1955 10.1955 k = 0.5000-0.5538-1.0353 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5385 -4.5385 -4.5219 -4.5219 3.1249 3.1249 3.1713 3.1713 3.2844 3.2844 4.6086 4.6086 4.8920 4.8920 4.9016 4.9016 8.2323 8.2323 8.6191 8.6191 8.6612 8.6612 9.8418 9.8418 10.1767 10.1767 k = 0.5000-0.5427-1.0536 ( 4514 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5339 -4.5339 -4.5238 -4.5238 3.1548 3.1548 3.1638 3.1638 3.2500 3.2500 4.5934 4.5934 4.8979 4.8979 4.9223 4.9223 8.2271 8.2271 8.6200 8.6200 8.6604 8.6604 9.8655 9.8655 10.1578 10.1578 k = 0.5000-0.5317-1.0719 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9887 -15.9887 -4.5308 -4.5308 -4.5257 -4.5257 3.1428 3.1428 3.1513 3.1513 3.2666 3.2666 4.5792 4.5792 4.8996 4.8996 4.9486 4.9486 8.2217 8.2217 8.6194 8.6194 8.6586 8.6586 9.8925 9.8925 10.1391 10.1391 k = 0.5000-0.5206-1.0902 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5338 -4.5338 -4.5235 -4.5235 3.1082 3.1082 3.1358 3.1358 3.3131 3.3131 4.5663 4.5663 4.8995 4.8995 4.9774 4.9774 8.2165 8.2165 8.6173 8.6173 8.6557 8.6557 9.9223 9.9223 10.1206 10.1206 k = 0.5000-0.5095-1.1085 ( 4520 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5401 -4.5401 -4.5198 -4.5198 3.0692 3.0692 3.1229 3.1229 3.3662 3.3662 4.5553 4.5553 4.8979 4.8979 5.0083 5.0083 8.2117 8.2117 8.6139 8.6139 8.6516 8.6516 9.9542 9.9542 10.1026 10.1026 k = 0.5000-0.4984-1.1268 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4029 -30.4029 -30.1826 -30.1826 -16.1839 -16.1839 -16.0176 -16.0176 -15.9886 -15.9886 -4.5482 -4.5482 -4.5163 -4.5163 3.0327 3.0327 3.1099 3.1099 3.4213 3.4213 4.5463 4.5463 4.8945 4.8945 5.0411 5.0411 8.2076 8.2076 8.6091 8.6091 8.6464 8.6464 9.9878 9.9878 10.0852 10.0852 k = 0.8169-0.4133-0.9643 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4029 -30.4029 -30.1826 -30.1826 -16.1839 -16.1839 -16.0176 -16.0176 -15.9886 -15.9886 -4.5482 -4.5482 -4.5163 -4.5163 3.0327 3.0327 3.1099 3.1099 3.4213 3.4213 4.5463 4.5463 4.8945 4.8945 5.0411 5.0411 8.2076 8.2076 8.6091 8.6091 8.6464 8.6464 9.9878 9.9878 10.0852 10.0852 k = 0.8113-0.4036-0.9456 ( 4518 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4028 -30.4028 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9886 -15.9886 -4.5582 -4.5582 -4.5131 -4.5131 2.9995 2.9995 3.0965 3.0965 3.4785 3.4785 4.5395 4.5395 4.8891 4.8891 5.0762 5.0762 8.2042 8.2042 8.6030 8.6030 8.6401 8.6401 10.0230 10.0230 10.0683 10.0683 k = 0.8056-0.3938-0.9270 ( 4526 PWs) bands (ev): -56.7390 -56.7390 -44.1209 -44.1209 -31.1530 -31.1530 -30.4027 -30.4027 -30.1826 -30.1826 -16.1838 -16.1838 -16.0174 -16.0174 -15.9886 -15.9886 -4.5701 -4.5701 -4.5104 -4.5104 2.9708 2.9708 3.0830 3.0830 3.5363 3.5363 4.5353 4.5353 4.8816 4.8816 5.1130 5.1130 8.2016 8.2016 8.5957 8.5957 8.6327 8.6327 10.0502 10.0502 10.0604 10.0604 k = 0.7999-0.3840-0.9083 ( 4516 PWs) bands (ev): -56.7390 -56.7390 -44.1209 -44.1209 -31.1529 -31.1529 -30.4025 -30.4025 -30.1826 -30.1826 -16.1836 -16.1836 -16.0172 -16.0172 -15.9885 -15.9885 -4.5838 -4.5838 -4.5081 -4.5081 2.9469 2.9469 3.0697 3.0697 3.5943 3.5943 4.5338 4.5338 4.8719 4.8719 5.1511 5.1511 8.2000 8.2000 8.5874 8.5874 8.6247 8.6247 10.0361 10.0361 10.0945 10.0945 k = 0.7943-0.3742-0.8896 ( 4518 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1528 -31.1528 -30.4023 -30.4023 -30.1826 -30.1826 -16.1835 -16.1835 -16.0170 -16.0170 -15.9884 -15.9884 -4.5994 -4.5994 -4.5064 -4.5064 2.9280 2.9280 3.0566 3.0566 3.6522 3.6522 4.5351 4.5351 4.8601 4.8601 5.1906 5.1906 8.1991 8.1991 8.5784 8.5784 8.6159 8.6159 10.0217 10.0217 10.1286 10.1286 k = 0.7886-0.3644-0.8710 ( 4526 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1526 -31.1526 -30.4021 -30.4021 -30.1826 -30.1826 -16.1835 -16.1835 -16.0169 -16.0169 -15.9884 -15.9884 -4.6169 -4.6169 -4.5052 -4.5052 2.9142 2.9142 3.0438 3.0438 3.7099 3.7099 4.5394 4.5394 4.8460 4.8460 5.2313 5.2313 8.1990 8.1990 8.5688 8.5688 8.6066 8.6066 10.0082 10.0082 10.1609 10.1609 k = 0.7830-0.3547-0.8523 ( 4530 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1525 -31.1525 -30.4018 -30.4018 -30.1826 -30.1826 -16.1833 -16.1833 -16.0166 -16.0166 -15.9883 -15.9883 -4.6362 -4.6362 -4.5046 -4.5046 2.9054 2.9054 3.0316 3.0316 3.7672 3.7672 4.5467 4.5467 4.8296 4.8296 5.2730 5.2730 8.1993 8.1993 8.5592 8.5592 8.5970 8.5970 9.9956 9.9956 10.1906 10.1906 k = 0.7773-0.3449-0.8336 ( 4524 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1523 -31.1523 -30.4015 -30.4015 -30.1826 -30.1826 -16.1831 -16.1831 -16.0163 -16.0163 -15.9883 -15.9883 -4.6574 -4.6574 -4.5046 -4.5046 2.9018 2.9018 3.0200 3.0200 3.8237 3.8237 4.5570 4.5570 4.8111 4.8111 5.3156 5.3156 8.1997 8.1997 8.5496 8.5496 8.5877 8.5877 9.9839 9.9839 10.2170 10.2170 k = 0.7716-0.3351-0.8149 ( 4526 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1520 -31.1520 -30.4012 -30.4012 -30.1826 -30.1826 -16.1829 -16.1829 -16.0160 -16.0160 -15.9882 -15.9882 -4.6805 -4.6805 -4.5052 -4.5052 2.9032 2.9032 3.0093 3.0093 3.8795 3.8795 4.5703 4.5703 4.7905 4.7905 5.3590 5.3590 8.1998 8.1998 8.5399 8.5399 8.5793 8.5793 9.9732 9.9732 10.2392 10.2392 k = 0.7660-0.3253-0.7963 ( 4520 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1518 -31.1518 -30.4008 -30.4008 -30.1826 -30.1826 -16.1827 -16.1827 -16.0156 -16.0156 -15.9881 -15.9881 -4.7053 -4.7053 -4.5064 -4.5064 2.9097 2.9097 2.9997 2.9997 3.9341 3.9341 4.5866 4.5866 4.7680 4.7680 5.4030 5.4030 8.1992 8.1992 8.5298 8.5298 8.5729 8.5729 9.9634 9.9634 10.2568 10.2568 k = 0.7603-0.3155-0.7776 ( 4518 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1515 -31.1515 -30.4003 -30.4003 -30.1826 -30.1826 -16.1824 -16.1824 -16.0152 -16.0152 -15.9880 -15.9880 -4.7318 -4.7318 -4.5083 -4.5083 2.9210 2.9210 2.9911 2.9911 3.9875 3.9875 4.6059 4.6059 4.7437 4.7437 5.4474 5.4474 8.1976 8.1976 8.5188 8.5188 8.5696 8.5696 9.9545 9.9545 10.2692 10.2692 k = 0.7547-0.3058-0.7589 ( 4512 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3999 -30.3999 -30.1826 -30.1826 -16.1821 -16.1821 -16.0148 -16.0148 -15.9879 -15.9879 -4.7600 -4.7600 -4.5108 -4.5108 2.9372 2.9372 2.9840 2.9840 4.0395 4.0395 4.6281 4.6281 4.7178 4.7178 5.4920 5.4920 8.1946 8.1946 8.5064 8.5064 8.5703 8.5703 9.9464 9.9464 10.2761 10.2761 k = 0.7490-0.2960-0.7403 ( 4500 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1508 -31.1508 -30.3994 -30.3994 -30.1825 -30.1825 -16.1818 -16.1818 -16.0143 -16.0143 -15.9878 -15.9878 -4.7898 -4.7898 -4.5140 -4.5140 2.9576 2.9576 2.9785 2.9785 4.0898 4.0898 4.6526 4.6526 4.6910 4.6910 5.5367 5.5367 8.1900 8.1900 8.4927 8.4927 8.5754 8.5754 9.9391 9.9391 10.2773 10.2773 k = 0.7433-0.2862-0.7216 ( 4498 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1504 -31.1504 -30.3988 -30.3988 -30.1825 -30.1825 -16.1814 -16.1814 -16.0138 -16.0138 -15.9878 -15.9878 -4.8211 -4.8211 -4.5178 -4.5178 2.9724 2.9724 2.9848 2.9848 4.1383 4.1383 4.6596 4.6596 4.6836 4.6836 5.5812 5.5812 8.1840 8.1840 8.4779 8.4779 8.5846 8.5846 9.9327 9.9327 10.2727 10.2727 k = 0.7377-0.2764-0.7029 ( 4502 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1501 -31.1501 -30.3983 -30.3983 -30.1825 -30.1825 -16.1811 -16.1811 -16.0133 -16.0133 -15.9877 -15.9877 -4.8538 -4.8538 -4.5222 -4.5222 2.9707 2.9707 3.0134 3.0134 4.1847 4.1847 4.6316 4.6316 4.7131 4.7131 5.6254 5.6254 8.1766 8.1766 8.4623 8.4623 8.5978 8.5978 9.9271 9.9271 10.2624 10.2624 k = 0.7320-0.2667-0.6843 ( 4496 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1497 -31.1497 -30.3977 -30.3977 -30.1825 -30.1825 -16.1807 -16.1807 -16.0127 -16.0127 -15.9876 -15.9876 -4.8877 -4.8877 -4.5273 -4.5273 2.9701 2.9701 3.0467 3.0467 4.2289 4.2289 4.6022 4.6022 4.7465 4.7465 5.6689 5.6689 8.1682 8.1682 8.4462 8.4462 8.6145 8.6145 9.9224 9.9224 10.2469 10.2469 k = 0.7264-0.2569-0.6656 ( 4506 PWs) bands (ev): -56.7396 -56.7396 -44.1214 -44.1214 -31.1493 -31.1493 -30.3971 -30.3971 -30.1826 -30.1826 -16.1803 -16.1803 -16.0121 -16.0121 -15.9876 -15.9876 -4.9228 -4.9228 -4.5330 -4.5330 2.9713 2.9713 3.0835 3.0835 4.2706 4.2706 4.5728 4.5728 4.7826 4.7826 5.7116 5.7116 8.1591 8.1591 8.4297 8.4297 8.6342 8.6342 9.9186 9.9186 10.2266 10.2266 k = 0.7207-0.2471-0.6469 ( 4504 PWs) bands (ev): -56.7396 -56.7396 -44.1215 -44.1215 -31.1488 -31.1488 -30.3964 -30.3964 -30.1826 -30.1826 -16.1799 -16.1799 -16.0115 -16.0115 -15.9875 -15.9875 -4.9590 -4.9590 -4.5392 -4.5392 2.9745 2.9745 3.1235 3.1235 4.3095 4.3095 4.5442 4.5442 4.8213 4.8213 5.7530 5.7530 8.1497 8.1497 8.4132 8.4132 8.6563 8.6563 9.9159 9.9159 10.2020 10.2020 k = 0.7151-0.2373-0.6282 ( 4504 PWs) bands (ev): -56.7397 -56.7397 -44.1215 -44.1215 -31.1484 -31.1484 -30.3957 -30.3957 -30.1826 -30.1826 -16.1795 -16.1795 -16.0108 -16.0108 -15.9875 -15.9875 -4.9961 -4.9961 -4.5461 -4.5461 2.9797 2.9797 3.1659 3.1659 4.3450 4.3450 4.5174 4.5174 4.8625 4.8625 5.7930 5.7930 8.1403 8.1403 8.3969 8.3969 8.6805 8.6805 9.9142 9.9142 10.1737 10.1737 k = 0.7094-0.2275-0.6096 ( 4506 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1479 -31.1479 -30.3950 -30.3950 -30.1826 -30.1826 -16.1790 -16.1790 -16.0101 -16.0101 -15.9874 -15.9874 -5.0340 -5.0340 -4.5535 -4.5535 2.9870 2.9870 3.2103 3.2103 4.3758 4.3758 4.4945 4.4945 4.9061 4.9061 5.8311 5.8311 8.1311 8.1311 8.3810 8.3810 8.7062 8.7062 9.9137 9.9137 10.1422 10.1422 k = 0.7037-0.2178-0.5909 ( 4512 PWs) bands (ev): -56.7399 -56.7399 -44.1217 -44.1217 -31.1474 -31.1474 -30.3943 -30.3943 -30.1826 -30.1826 -16.1785 -16.1785 -16.0094 -16.0094 -15.9874 -15.9874 -5.0726 -5.0726 -4.5615 -4.5615 2.9965 2.9965 3.2557 3.2557 4.3982 4.3982 4.4798 4.4798 4.9520 4.9520 5.8671 5.8671 8.1224 8.1224 8.3658 8.3658 8.7329 8.7329 9.9146 9.9146 10.1084 10.1084 k = 0.6981-0.2080-0.5722 ( 4512 PWs) bands (ev): -56.7400 -56.7400 -44.1218 -44.1218 -31.1469 -31.1469 -30.3935 -30.3935 -30.1826 -30.1826 -16.1780 -16.1780 -16.0086 -16.0086 -15.9874 -15.9874 -5.1117 -5.1117 -4.5700 -4.5700 3.0083 3.0083 3.3012 3.3012 4.4054 4.4054 4.4812 4.4812 5.0000 5.0000 5.9006 5.9006 8.1144 8.1144 8.3515 8.3515 8.7601 8.7601 9.9169 9.9169 10.0727 10.0727 k = 0.6924-0.1982-0.5536 ( 4514 PWs) bands (ev): -56.7401 -56.7401 -44.1218 -44.1218 -31.1464 -31.1464 -30.3927 -30.3927 -30.1826 -30.1826 -16.1775 -16.1775 -16.0079 -16.0079 -15.9873 -15.9873 -5.1513 -5.1513 -4.5789 -4.5789 3.0223 3.0223 3.3455 3.3455 4.4000 4.4000 4.4971 4.4971 5.0502 5.0502 5.9311 5.9311 8.1071 8.1071 8.3384 8.3384 8.7873 8.7873 9.9209 9.9209 10.0359 10.0359 k = 0.6868-0.1884-0.5349 ( 4512 PWs) bands (ev): -56.7402 -56.7402 -44.1219 -44.1219 -31.1458 -31.1458 -30.3919 -30.3919 -30.1826 -30.1826 -16.1769 -16.1769 -16.0070 -16.0070 -15.9873 -15.9873 -5.1911 -5.1911 -4.5882 -4.5882 3.0387 3.0387 3.3873 3.3873 4.3928 4.3928 4.5182 4.5182 5.1024 5.1024 5.9584 5.9584 8.1007 8.1007 8.3268 8.3268 8.8142 8.8142 9.9267 9.9267 9.9984 9.9984 k = 0.6811-0.1786-0.5162 ( 4512 PWs) bands (ev): -56.7402 -56.7402 -44.1220 -44.1220 -31.1452 -31.1452 -30.3910 -30.3910 -30.1827 -30.1827 -16.1764 -16.1764 -16.0062 -16.0062 -15.9873 -15.9873 -5.2311 -5.2311 -4.5980 -4.5980 3.0573 3.0573 3.4251 3.4251 4.3897 4.3897 4.5402 4.5402 5.1564 5.1564 5.9821 5.9821 8.0951 8.0951 8.3167 8.3167 8.8401 8.8401 9.9343 9.9343 9.9612 9.9612 k = 0.6754-0.1689-0.4975 ( 4510 PWs) bands (ev): -56.7403 -56.7403 -44.1220 -44.1220 -31.1447 -31.1447 -30.3902 -30.3902 -30.1827 -30.1827 -16.1758 -16.1758 -16.0053 -16.0053 -15.9872 -15.9872 -5.2712 -5.2712 -4.6081 -4.6081 3.0782 3.0782 3.4573 3.4573 4.3932 4.3932 4.5621 4.5621 5.2122 5.2122 6.0019 6.0019 8.0903 8.0903 8.3084 8.3084 8.8648 8.8648 9.9231 9.9231 9.9455 9.9455 k = 0.6698-0.1591-0.4789 ( 4516 PWs) bands (ev): -56.7404 -56.7404 -44.1221 -44.1221 -31.1441 -31.1441 -30.3893 -30.3893 -30.1827 -30.1827 -16.1753 -16.1753 -16.0045 -16.0045 -15.9872 -15.9872 -5.3111 -5.3111 -4.6184 -4.6184 3.1015 3.1015 3.4826 3.4826 4.4043 4.4043 4.5843 4.5843 5.2695 5.2695 6.0174 6.0174 8.0863 8.0863 8.3018 8.3018 8.8879 8.8879 9.8877 9.8877 9.9576 9.9576 k = 0.6641-0.1493-0.4602 ( 4520 PWs) bands (ev): -56.7405 -56.7405 -44.1222 -44.1222 -31.1435 -31.1435 -30.3885 -30.3885 -30.1827 -30.1827 -16.1747 -16.1747 -16.0036 -16.0036 -15.9872 -15.9872 -5.3509 -5.3509 -4.6291 -4.6291 3.1270 3.1270 3.5000 3.5000 4.4227 4.4227 4.6082 4.6082 5.3283 5.3283 6.0285 6.0285 8.0831 8.0831 8.2970 8.2970 8.9088 8.9088 9.8536 9.8536 9.9725 9.9725 k = 0.6585-0.1395-0.4415 ( 4522 PWs) bands (ev): -56.7406 -56.7406 -44.1223 -44.1223 -31.1429 -31.1429 -30.3876 -30.3876 -30.1827 -30.1827 -16.1742 -16.1742 -16.0027 -16.0027 -15.9872 -15.9872 -5.3904 -5.3904 -4.6400 -4.6400 3.1549 3.1549 3.5094 3.5094 4.4463 4.4463 4.6360 4.6360 5.3885 5.3885 6.0349 6.0349 8.0804 8.0804 8.2938 8.2938 8.9275 8.9275 9.8220 9.8220 9.9900 9.9900 k = 0.6528-0.1298-0.4229 ( 4522 PWs) bands (ev): -56.7407 -56.7407 -44.1224 -44.1224 -31.1423 -31.1423 -30.3867 -30.3867 -30.1827 -30.1827 -16.1736 -16.1736 -16.0018 -16.0018 -15.9872 -15.9872 -5.4294 -5.4294 -4.6510 -4.6510 3.1849 3.1849 3.5110 3.5110 4.4717 4.4717 4.6709 4.6709 5.4496 5.4496 6.0367 6.0367 8.0783 8.0783 8.2920 8.2920 8.9435 8.9435 9.7933 9.7933 10.0101 10.0101 k = 0.6471-0.1200-0.4042 ( 4518 PWs) bands (ev): -56.7408 -56.7408 -44.1224 -44.1224 -31.1417 -31.1417 -30.3858 -30.3858 -30.1828 -30.1828 -16.1730 -16.1730 -16.0008 -16.0008 -15.9872 -15.9872 -5.4679 -5.4679 -4.6622 -4.6622 3.2172 3.2172 3.5057 3.5057 4.4949 4.4949 4.7162 4.7162 5.5116 5.5116 6.0338 6.0338 8.0765 8.0765 8.2910 8.2910 8.9567 8.9567 9.7684 9.7684 10.0328 10.0328 k = 0.6415-0.1102-0.3855 ( 4514 PWs) bands (ev): -56.7409 -56.7409 -44.1225 -44.1225 -31.1411 -31.1411 -30.3849 -30.3849 -30.1827 -30.1827 -16.1724 -16.1724 -15.9999 -15.9999 -15.9871 -15.9871 -5.5057 -5.5057 -4.6734 -4.6734 3.2517 3.2517 3.4948 3.4948 4.5132 4.5132 4.7735 4.7735 5.5741 5.5741 6.0265 6.0265 8.0751 8.0751 8.2906 8.2906 8.9670 8.9670 9.7480 9.7480 10.0578 10.0578 k = 0.6358-0.1004-0.3669 ( 4520 PWs) bands (ev): -56.7410 -56.7410 -44.1226 -44.1226 -31.1405 -31.1405 -30.3840 -30.3840 -30.1828 -30.1828 -16.1719 -16.1719 -15.9990 -15.9990 -15.9872 -15.9872 -5.5429 -5.5429 -4.6847 -4.6847 3.2883 3.2883 3.4792 3.4792 4.5260 4.5260 4.8423 4.8423 5.6363 5.6363 6.0155 6.0155 8.0737 8.0737 8.2899 8.2899 8.9743 8.9743 9.7326 9.7326 10.0851 10.0851 k = 0.6302-0.0906-0.3482 ( 4526 PWs) bands (ev): -56.7411 -56.7411 -44.1227 -44.1227 -31.1400 -31.1400 -30.3832 -30.3832 -30.1828 -30.1828 -16.1713 -16.1713 -15.9981 -15.9981 -15.9872 -15.9872 -5.5792 -5.5792 -4.6959 -4.6959 3.3268 3.3268 3.4603 3.4603 4.5341 4.5341 4.9207 4.9207 5.6972 5.6972 6.0017 6.0017 8.0724 8.0724 8.2884 8.2884 8.9785 8.9785 9.7231 9.7231 10.1143 10.1143 k = 0.6245-0.0809-0.3295 ( 4524 PWs) bands (ev): -56.7412 -56.7412 -44.1228 -44.1228 -31.1394 -31.1394 -30.3823 -30.3823 -30.1828 -30.1828 -16.1708 -16.1708 -15.9971 -15.9971 -15.9872 -15.9872 -5.6146 -5.6146 -4.7071 -4.7071 3.3670 3.3670 3.4393 3.4393 4.5386 4.5386 5.0068 5.0068 5.7542 5.7542 5.9878 5.9878 8.0709 8.0709 8.2855 8.2855 8.9798 8.9798 9.7200 9.7200 10.1452 10.1452 k = 0.6188-0.0711-0.3108 ( 4520 PWs) bands (ev): -56.7413 -56.7413 -44.1228 -44.1228 -31.1388 -31.1388 -30.3814 -30.3814 -30.1828 -30.1828 -16.1702 -16.1702 -15.9962 -15.9962 -15.9871 -15.9871 -5.6490 -5.6490 -4.7181 -4.7181 3.4028 3.4028 3.4227 3.4227 4.5403 4.5403 5.0990 5.0990 5.8006 5.8006 5.9806 5.9806 8.0691 8.0691 8.2804 8.2804 8.9781 8.9781 9.7238 9.7238 10.1774 10.1774 k = 0.6132-0.0613-0.2922 ( 4526 PWs) bands (ev): -56.7414 -56.7414 -44.1229 -44.1229 -31.1382 -31.1382 -30.3806 -30.3806 -30.1828 -30.1828 -16.1698 -16.1698 -15.9953 -15.9953 -15.9871 -15.9871 -5.6823 -5.6823 -4.7290 -4.7290 3.3884 3.3884 3.4572 3.4572 4.5398 4.5398 5.1961 5.1961 5.8232 5.8232 5.9934 5.9934 8.0670 8.0670 8.2728 8.2728 8.9737 8.9737 9.7348 9.7348 10.2104 10.2104 k = 0.6075-0.0515-0.2735 ( 4520 PWs) bands (ev): -56.7415 -56.7415 -44.1230 -44.1230 -31.1377 -31.1377 -30.3798 -30.3798 -30.1828 -30.1828 -16.1692 -16.1692 -15.9944 -15.9944 -15.9871 -15.9871 -5.7144 -5.7144 -4.7397 -4.7397 3.3639 3.3639 3.5030 3.5030 4.5376 4.5376 5.2969 5.2969 5.8160 5.8160 6.0325 6.0325 8.0643 8.0643 8.2621 8.2621 8.9666 8.9666 9.7534 9.7534 10.2441 10.2441 k = 0.6019-0.0418-0.2548 ( 4522 PWs) bands (ev): -56.7416 -56.7416 -44.1230 -44.1230 -31.1372 -31.1372 -30.3790 -30.3790 -30.1828 -30.1828 -16.1688 -16.1688 -15.9936 -15.9936 -15.9871 -15.9871 -5.7453 -5.7453 -4.7501 -4.7501 3.3387 3.3387 3.5511 3.5511 4.5342 4.5342 5.4006 5.4006 5.7897 5.7897 6.0871 6.0871 8.0609 8.0609 8.2482 8.2482 8.9570 8.9570 9.7792 9.7792 10.2778 10.2778 k = 0.5962-0.0320-0.2362 ( 4526 PWs) bands (ev): -56.7417 -56.7417 -44.1231 -44.1231 -31.1366 -31.1366 -30.3782 -30.3782 -30.1828 -30.1828 -16.1683 -16.1683 -15.9928 -15.9928 -15.9871 -15.9871 -5.7749 -5.7749 -4.7602 -4.7602 3.3136 3.3136 3.6009 3.6009 4.5297 4.5297 5.5061 5.5061 5.7540 5.7540 6.1480 6.1480 8.0566 8.0566 8.2310 8.2310 8.9451 8.9451 9.8122 9.8122 10.3113 10.3113 k = 0.5905-0.0222-0.2175 ( 4526 PWs) bands (ev): -56.7417 -56.7417 -44.1232 -44.1232 -31.1361 -31.1361 -30.3775 -30.3775 -30.1828 -30.1828 -16.1679 -16.1679 -15.9920 -15.9920 -15.9870 -15.9870 -5.8032 -5.8032 -4.7700 -4.7700 3.2889 3.2889 3.6523 3.6523 4.5244 4.5244 5.6113 5.6113 5.7144 5.7144 6.2115 6.2115 8.0514 8.0514 8.2107 8.2107 8.9310 8.9310 9.8519 9.8519 10.3442 10.3442 k = 0.5849-0.0124-0.1988 ( 4526 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1357 -31.1357 -30.3768 -30.3768 -30.1828 -30.1828 -16.1674 -16.1674 -15.9912 -15.9912 -15.9869 -15.9869 -5.8300 -5.8300 -4.7794 -4.7794 3.2649 3.2649 3.7053 3.7053 4.5186 4.5186 5.6569 5.6569 5.7312 5.7312 6.2759 6.2759 8.0451 8.0451 8.1874 8.1874 8.9150 8.9150 9.8977 9.8977 10.3762 10.3762 k = 0.5792-0.0026-0.1801 ( 4524 PWs) bands (ev): -56.7419 -56.7419 -44.1233 -44.1233 -31.1352 -31.1352 -30.3761 -30.3761 -30.1828 -30.1828 -16.1670 -16.1670 -15.9906 -15.9906 -15.9868 -15.9868 -5.8553 -5.8553 -4.7884 -4.7884 3.2417 3.2417 3.7595 3.7595 4.5125 4.5125 5.6117 5.6117 5.8360 5.8360 6.3403 6.3403 8.0374 8.0374 8.1614 8.1614 8.8972 8.8972 9.9488 9.9488 10.4069 10.4069 k = 0.5736 0.0071-0.1615 ( 4522 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1348 -31.1348 -30.3754 -30.3754 -30.1828 -30.1828 -16.1667 -16.1667 -15.9900 -15.9900 -15.9867 -15.9867 -5.8792 -5.8792 -4.7969 -4.7969 3.2196 3.2196 3.8151 3.8151 4.5061 4.5061 5.5603 5.5603 5.9443 5.9443 6.4042 6.4042 8.0283 8.0283 8.1332 8.1332 8.8779 8.8779 10.0045 10.0045 10.4362 10.4362 k = 0.5679 0.0169-0.1428 ( 4516 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1343 -31.1343 -30.3748 -30.3748 -30.1828 -30.1828 -16.1663 -16.1663 -15.9895 -15.9895 -15.9864 -15.9864 -5.9014 -5.9014 -4.8049 -4.8049 3.1987 3.1987 3.8717 3.8717 4.4998 4.4998 5.5063 5.5063 6.0523 6.0523 6.4671 6.4671 8.0175 8.0175 8.1032 8.1032 8.8574 8.8574 10.0639 10.0639 10.4638 10.4638 k = 0.5623 0.0267-0.1241 ( 4512 PWs) bands (ev): -56.7421 -56.7421 -44.1235 -44.1235 -31.1340 -31.1340 -30.3742 -30.3742 -30.1828 -30.1828 -16.1660 -16.1660 -15.9890 -15.9890 -15.9862 -15.9862 -5.9220 -5.9220 -4.8124 -4.8124 3.1791 3.1791 3.9292 3.9292 4.4935 4.4935 5.4504 5.4504 6.1592 6.1592 6.5287 6.5287 8.0048 8.0048 8.0718 8.0718 8.8361 8.8361 10.1258 10.1258 10.4895 10.4895 k = 0.5566 0.0365-0.1055 ( 4514 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1336 -31.1336 -30.3737 -30.3737 -30.1828 -30.1828 -16.1657 -16.1657 -15.9888 -15.9888 -15.9859 -15.9859 -5.9410 -5.9410 -4.8194 -4.8194 3.1610 3.1610 3.9873 3.9873 4.4874 4.4874 5.3931 5.3931 6.2640 6.2640 6.5886 6.5886 7.9900 7.9900 8.0394 8.0394 8.8143 8.8143 10.1894 10.1894 10.5131 10.5131 k = 0.5509 0.0463-0.0868 ( 4512 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1333 -31.1333 -30.3732 -30.3732 -30.1828 -30.1828 -16.1654 -16.1654 -15.9886 -15.9886 -15.9855 -15.9855 -5.9582 -5.9582 -4.8258 -4.8258 3.1443 3.1443 4.0460 4.0460 4.4816 4.4816 5.3349 5.3349 6.3659 6.3659 6.6463 6.6463 7.9732 7.9732 8.0068 8.0068 8.7925 8.7925 10.2535 10.2535 10.5346 10.5346 k = 0.5453 0.0560-0.0681 ( 4510 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1330 -31.1330 -30.3727 -30.3727 -30.1828 -30.1828 -16.1651 -16.1651 -15.9884 -15.9884 -15.9851 -15.9851 -5.9738 -5.9738 -4.8315 -4.8315 3.1292 3.1292 4.1047 4.1047 4.4762 4.4762 5.2763 5.2763 6.4640 6.4640 6.7014 6.7014 7.9540 7.9540 7.9743 7.9743 8.7710 8.7710 10.3169 10.3169 10.5538 10.5538 k = 0.5396 0.0658-0.0495 ( 4516 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1327 -31.1327 -30.3724 -30.3724 -30.1828 -30.1828 -16.1649 -16.1649 -15.9883 -15.9883 -15.9848 -15.9848 -5.9875 -5.9875 -4.8367 -4.8367 3.1157 3.1157 4.1632 4.1632 4.4713 4.4713 5.2177 5.2177 6.5570 6.5570 6.7536 6.7536 7.9326 7.9326 7.9428 7.9428 8.7506 8.7506 10.3781 10.3781 10.5708 10.5708 k = 0.5340 0.0756-0.0308 ( 4528 PWs) bands (ev): -56.7423 -56.7423 -44.1237 -44.1237 -31.1326 -31.1326 -30.3721 -30.3721 -30.1828 -30.1828 -16.1648 -16.1648 -15.9883 -15.9883 -15.9845 -15.9845 -5.9995 -5.9995 -4.8412 -4.8412 3.1040 3.1040 4.2207 4.2207 4.4669 4.4669 5.1598 5.1598 6.6437 6.6437 6.8023 6.8023 7.9084 7.9084 7.9137 7.9137 8.7315 8.7315 10.4359 10.4359 10.5854 10.5854 k = 0.5283 0.0854-0.0121 ( 4528 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1324 -31.1324 -30.3718 -30.3718 -30.1828 -30.1828 -16.1646 -16.1646 -15.9882 -15.9882 -15.9842 -15.9842 -6.0097 -6.0097 -4.8450 -4.8450 3.0939 3.0939 4.2764 4.2764 4.4632 4.4632 5.1036 5.1036 6.7220 6.7220 6.8471 6.8471 7.8821 7.8821 7.8879 7.8879 8.7145 8.7145 10.4886 10.4886 10.5978 10.5978 k = 0.5226 0.0951 0.0066 ( 4528 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1322 -31.1322 -30.3715 -30.3715 -30.1828 -30.1828 -16.1645 -16.1645 -15.9882 -15.9882 -15.9840 -15.9840 -6.0180 -6.0180 -4.8482 -4.8482 3.0857 3.0857 4.3289 4.3289 4.4603 4.4603 5.0504 5.0504 6.7895 6.7895 6.8878 6.8878 7.8574 7.8574 7.8638 7.8638 8.6998 8.6998 10.5347 10.5347 10.6080 10.6080 k = 0.5170 0.1049 0.0252 ( 4528 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1321 -31.1321 -30.3713 -30.3713 -30.1828 -30.1828 -16.1644 -16.1644 -15.9882 -15.9882 -15.9838 -15.9838 -6.0246 -6.0246 -4.8507 -4.8507 3.0792 3.0792 4.3760 4.3760 4.4584 4.4584 5.0023 5.0023 6.8433 6.8433 6.9239 6.9239 7.8364 7.8364 7.8418 7.8418 8.6881 8.6881 10.5724 10.5724 10.6161 10.6161 k = 0.5113 0.1147 0.0439 ( 4538 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1320 -31.1320 -30.3713 -30.3713 -30.1828 -30.1828 -16.1644 -16.1644 -15.9882 -15.9882 -15.9837 -15.9837 -6.0292 -6.0292 -4.8525 -4.8525 3.0746 3.0746 4.4137 4.4137 4.4583 4.4583 4.9626 4.9626 6.8813 6.8813 6.9539 6.9539 7.8200 7.8200 7.8239 7.8239 8.6794 8.6794 10.5999 10.5999 10.6225 10.6225 k = 0.5057 0.1245 0.0626 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3712 -30.3712 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0320 -6.0320 -4.8535 -4.8535 3.0718 3.0718 4.4359 4.4359 4.4618 4.4618 4.9355 4.9355 6.9033 6.9033 6.9746 6.9746 7.8091 7.8091 7.8126 7.8126 8.6741 8.6741 10.6150 10.6150 10.6282 10.6282 k = 0.5000 0.1343 0.0812 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0329 -6.0329 -4.8539 -4.8539 3.0709 3.0709 4.4414 4.4414 4.4656 4.4656 4.9258 4.9258 6.9104 6.9104 6.9820 6.9820 7.8052 7.8052 7.8089 7.8089 8.6723 8.6723 10.6190 10.6190 10.6313 10.6313 k = 0.5000 0.1343 0.0812 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0329 -6.0329 -4.8539 -4.8539 3.0709 3.0709 4.4414 4.4414 4.4656 4.4656 4.9258 4.9258 6.9104 6.9104 6.9820 6.9820 7.8052 7.8052 7.8089 7.8089 8.6723 8.6723 10.6190 10.6190 10.6313 10.6313 k = 0.4792 0.1287 0.0779 ( 4535 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9835 -15.9835 -6.0334 -6.0334 -4.8531 -4.8531 3.0660 3.0660 4.4414 4.4414 4.4656 4.4656 4.9328 4.9328 6.9107 6.9107 6.9823 6.9823 7.8052 7.8052 7.8088 7.8088 8.6716 8.6716 10.6187 10.6187 10.6310 10.6310 k = 0.4583 0.1231 0.0745 ( 4541 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1829 -30.1829 -16.1643 -16.1643 -15.9882 -15.9882 -15.9835 -15.9835 -6.0348 -6.0348 -4.8509 -4.8509 3.0514 3.0514 4.4412 4.4412 4.4653 4.4653 4.9537 4.9537 6.9114 6.9114 6.9831 6.9831 7.8051 7.8051 7.8088 7.8088 8.6694 8.6694 10.6178 10.6178 10.6301 10.6301 k = 0.4375 0.1175 0.0711 ( 4541 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3712 -30.3712 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0371 -6.0371 -4.8472 -4.8472 3.0279 3.0279 4.4408 4.4408 4.4650 4.4650 4.9875 4.9875 6.9127 6.9127 6.9843 6.9843 7.8050 7.8050 7.8087 7.8087 8.6658 8.6658 10.6163 10.6163 10.6286 10.6286 k = 0.4167 0.1119 0.0677 ( 4535 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9881 -15.9881 -15.9836 -15.9836 -6.0402 -6.0402 -4.8421 -4.8421 2.9968 2.9968 4.4403 4.4403 4.4645 4.4645 5.0331 5.0331 6.9145 6.9145 6.9861 6.9861 7.8049 7.8049 7.8086 7.8086 8.6607 8.6607 10.6142 10.6142 10.6265 10.6265 k = 0.3958 0.1063 0.0643 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3712 -30.3712 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0440 -6.0440 -4.8358 -4.8358 2.9593 2.9593 4.4397 4.4397 4.4639 4.4639 5.0890 5.0890 6.9167 6.9167 6.9883 6.9883 7.8047 7.8047 7.8084 7.8084 8.6540 8.6540 10.6116 10.6116 10.6239 10.6239 k = 0.3750 0.1007 0.0609 ( 4544 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3712 -30.3712 -30.1829 -30.1829 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0486 -6.0486 -4.8283 -4.8283 2.9169 2.9169 4.4390 4.4390 4.4632 4.4632 5.1537 5.1537 6.9193 6.9193 6.9909 6.9909 7.8045 7.8045 7.8082 7.8082 8.6458 8.6458 10.6085 10.6085 10.6208 10.6208 k = 0.3542 0.0951 0.0575 ( 4541 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1829 -30.1829 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0537 -6.0537 -4.8198 -4.8198 2.8710 2.8710 4.4381 4.4381 4.4624 4.4624 5.2256 5.2256 6.9223 6.9223 6.9939 6.9939 7.8043 7.8043 7.8080 7.8080 8.6359 8.6359 10.6050 10.6050 10.6172 10.6172 k = 0.3333 0.0895 0.0542 ( 4532 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9881 -15.9881 -15.9835 -15.9835 -6.0593 -6.0593 -4.8105 -4.8105 2.8227 2.8227 4.4373 4.4373 4.4616 4.4616 5.3033 5.3033 6.9256 6.9256 6.9972 6.9972 7.8041 7.8041 7.8078 7.8078 8.6242 8.6242 10.6011 10.6011 10.6133 10.6133 k = 0.3125 0.0839 0.0508 ( 4535 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1829 -30.1829 -16.1643 -16.1643 -15.9881 -15.9881 -15.9835 -15.9835 -6.0653 -6.0653 -4.8006 -4.8006 2.7733 2.7733 4.4363 4.4363 4.4606 4.4606 5.3855 5.3855 6.9292 6.9292 7.0008 7.0008 7.8038 7.8038 7.8075 7.8075 8.6109 8.6109 10.5968 10.5968 10.6091 10.6091 k = 0.2917 0.0783 0.0474 ( 4535 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1829 -30.1829 -16.1643 -16.1643 -15.9881 -15.9881 -15.9835 -15.9835 -6.0714 -6.0714 -4.7901 -4.7901 2.7237 2.7237 4.4353 4.4353 4.4596 4.4596 5.4709 5.4709 6.9330 6.9330 7.0046 7.0046 7.8036 7.8036 7.8072 7.8072 8.5958 8.5958 10.5924 10.5924 10.6046 10.6046 k = 0.2708 0.0727 0.0440 ( 4529 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1642 -16.1642 -15.9881 -15.9881 -15.9835 -15.9835 -6.0778 -6.0778 -4.7794 -4.7794 2.6747 2.6747 4.4342 4.4342 4.4586 4.4586 5.5583 5.5583 6.9369 6.9369 7.0085 7.0085 7.8033 7.8033 7.8069 7.8069 8.5790 8.5790 10.5878 10.5878 10.6000 10.6000 k = 0.2500 0.0671 0.0406 ( 4535 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1642 -16.1642 -15.9881 -15.9881 -15.9835 -15.9835 -6.0841 -6.0841 -4.7685 -4.7685 2.6270 2.6270 4.4331 4.4331 4.4575 4.4575 5.6466 5.6466 6.9410 6.9410 7.0125 7.0125 7.8029 7.8029 7.8065 7.8065 8.5604 8.5604 10.5830 10.5830 10.5952 10.5952 k = 0.2292 0.0615 0.0372 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1829 -30.1829 -16.1643 -16.1643 -15.9881 -15.9881 -15.9835 -15.9835 -6.0904 -6.0904 -4.7577 -4.7577 2.5813 2.5813 4.4321 4.4321 4.4565 4.4565 5.7347 5.7347 6.9451 6.9451 7.0165 7.0165 7.8026 7.8026 7.8062 7.8062 8.5401 8.5401 10.5783 10.5783 10.5905 10.5905 k = 0.2083 0.0559 0.0339 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1829 -30.1829 -16.1642 -16.1642 -15.9881 -15.9881 -15.9835 -15.9835 -6.0964 -6.0964 -4.7472 -4.7472 2.5381 2.5381 4.4310 4.4310 4.4554 4.4554 5.8214 5.8214 6.9491 6.9491 7.0205 7.0205 7.8023 7.8023 7.8059 7.8059 8.5184 8.5184 10.5737 10.5737 10.5858 10.5858 k = 0.1875 0.0503 0.0305 ( 4532 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1642 -16.1642 -15.9880 -15.9880 -15.9835 -15.9835 -6.1022 -6.1022 -4.7371 -4.7371 2.4978 2.4978 4.4300 4.4300 4.4545 4.4545 5.9058 5.9058 6.9531 6.9531 7.0243 7.0243 7.8020 7.8020 7.8056 7.8056 8.4957 8.4957 10.5692 10.5692 10.5813 10.5813 k = 0.1667 0.0448 0.0271 ( 4529 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1642 -16.1642 -15.9880 -15.9880 -15.9835 -15.9835 -6.1076 -6.1076 -4.7276 -4.7276 2.4608 2.4608 4.4291 4.4291 4.4535 4.4535 5.9864 5.9864 6.9568 6.9568 7.0280 7.0280 7.8018 7.8018 7.8053 7.8053 8.4721 8.4721 10.5649 10.5649 10.5770 10.5770 k = 0.1458 0.0392 0.0237 ( 4518 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1642 -16.1642 -15.9879 -15.9879 -15.9835 -15.9835 -6.1125 -6.1125 -4.7188 -4.7188 2.4275 2.4275 4.4282 4.4282 4.4526 4.4526 6.0623 6.0623 6.9604 6.9604 7.0313 7.0313 7.8015 7.8015 7.8051 7.8051 8.4483 8.4483 10.5610 10.5610 10.5731 10.5731 k = 0.1250 0.0336 0.0203 ( 4518 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1319 -31.1319 -30.3711 -30.3711 -30.1828 -30.1828 -16.1641 -16.1641 -15.9879 -15.9879 -15.9835 -15.9835 -6.1170 -6.1170 -4.7109 -4.7109 2.3981 2.3981 4.4274 4.4274 4.4519 4.4519 6.1319 6.1319 6.9636 6.9636 7.0344 7.0344 7.8013 7.8013 7.8049 7.8049 8.4250 8.4250 10.5574 10.5574 10.5695 10.5695 k = 0.1042 0.0280 0.0169 ( 4500 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1319 -31.1319 -30.3711 -30.3711 -30.1827 -30.1827 -16.1641 -16.1641 -15.9878 -15.9878 -15.9835 -15.9835 -6.1208 -6.1208 -4.7040 -4.7040 2.3728 2.3728 4.4267 4.4267 4.4512 4.4512 6.1941 6.1941 6.9665 6.9665 7.0371 7.0371 7.8011 7.8011 7.8047 7.8047 8.4030 8.4030 10.5543 10.5543 10.5663 10.5663 k = 0.0833 0.0224 0.0135 ( 4479 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9834 -15.9834 -6.1240 -6.1240 -4.6982 -4.6982 2.3519 2.3519 4.4261 4.4261 4.4506 4.4506 6.2474 6.2474 6.9690 6.9690 7.0394 7.0394 7.8010 7.8010 7.8046 7.8046 8.3831 8.3831 10.5517 10.5517 10.5637 10.5637 k = 0.0625 0.0168 0.0102 ( 4470 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9834 -15.9834 -6.1266 -6.1266 -4.6936 -4.6936 2.3354 2.3354 4.4257 4.4257 4.4502 4.4502 6.2905 6.2905 6.9711 6.9711 7.0412 7.0412 7.8008 7.8008 7.8044 7.8044 8.3663 8.3663 10.5496 10.5496 10.5616 10.5616 k = 0.0417 0.0112 0.0068 ( 4470 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9834 -15.9834 -6.1284 -6.1284 -4.6902 -4.6902 2.3236 2.3236 4.4253 4.4253 4.4499 4.4499 6.3223 6.3223 6.9726 6.9726 7.0425 7.0425 7.8007 7.8007 7.8043 7.8043 8.3535 8.3535 10.5481 10.5481 10.5601 10.5601 k = 0.0208 0.0056 0.0034 ( 4467 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1639 -16.1639 -15.9877 -15.9877 -15.9833 -15.9833 -6.1295 -6.1295 -4.6882 -4.6882 2.3165 2.3165 4.4251 4.4251 4.4497 4.4497 6.3418 6.3418 6.9735 6.9735 7.0433 7.0433 7.8006 7.8006 7.8043 7.8043 8.3455 8.3455 10.5472 10.5472 10.5591 10.5591 k = 0.0000 0.0000 0.0000 ( 4467 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1639 -16.1639 -15.9877 -15.9877 -15.9833 -15.9833 -6.1299 -6.1299 -4.6875 -4.6875 2.3141 2.3141 4.4251 4.4251 4.4496 4.4496 6.3483 6.3483 6.9738 6.9738 7.0436 7.0436 7.8006 7.8006 7.8042 7.8042 8.3428 8.3428 10.5468 10.5468 10.5588 10.5588 k = 0.0000 0.0000 0.0000 ( 4467 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1639 -16.1639 -15.9877 -15.9877 -15.9833 -15.9833 -6.1299 -6.1299 -4.6875 -4.6875 2.3141 2.3141 4.4251 4.4251 4.4496 4.4496 6.3483 6.3483 6.9738 6.9738 7.0436 7.0436 7.8006 7.8006 7.8042 7.8042 8.3428 8.3428 10.5468 10.5468 10.5588 10.5588 k = 0.0056-0.0097-0.0185 ( 4477 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1318 -31.1318 -30.3710 -30.3710 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9834 -15.9834 -6.1289 -6.1289 -4.6873 -4.6873 2.3152 2.3152 4.4237 4.4237 4.4484 4.4484 6.3504 6.3504 6.9664 6.9664 7.0358 7.0358 7.8050 7.8050 7.8083 7.8083 8.3437 8.3437 10.5434 10.5434 10.5560 10.5560 k = 0.0112-0.0193-0.0369 ( 4477 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1319 -31.1319 -30.3711 -30.3711 -30.1826 -30.1826 -16.1640 -16.1640 -15.9877 -15.9877 -15.9835 -15.9835 -6.1261 -6.1261 -4.6866 -4.6866 2.3188 2.3188 4.4187 4.4187 4.4462 4.4462 6.3564 6.3564 6.9438 6.9438 7.0144 7.0144 7.8173 7.8173 7.8204 7.8204 8.3464 8.3464 10.5305 10.5305 10.5504 10.5504 k = 0.0168-0.0290-0.0554 ( 4477 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1320 -31.1320 -30.3713 -30.3713 -30.1826 -30.1826 -16.1641 -16.1641 -15.9877 -15.9877 -15.9837 -15.9837 -6.1213 -6.1213 -4.6854 -4.6854 2.3246 2.3246 4.4078 4.4078 4.4451 4.4451 6.3660 6.3660 6.9050 6.9050 6.9833 6.9833 7.8357 7.8357 7.8394 7.8394 8.3511 8.3511 10.5069 10.5069 10.5438 10.5438 k = 0.0224-0.0387-0.0739 ( 4485 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1321 -31.1321 -30.3715 -30.3715 -30.1826 -30.1826 -16.1642 -16.1642 -15.9878 -15.9878 -15.9839 -15.9839 -6.1147 -6.1147 -4.6838 -4.6838 2.3328 2.3328 4.3906 4.3906 4.4458 4.4458 6.3789 6.3789 6.8502 6.8502 6.9461 6.9461 7.8591 7.8591 7.8629 7.8629 8.3576 8.3576 10.4748 10.4748 10.5354 10.5354 k = 0.0280-0.0484-0.0924 ( 4477 PWs) bands (ev): -56.7424 -56.7424 -44.1236 -44.1236 -31.1322 -31.1322 -30.3717 -30.3717 -30.1826 -30.1826 -16.1643 -16.1643 -15.9878 -15.9878 -15.9841 -15.9841 -6.1062 -6.1062 -4.6817 -4.6817 2.3433 2.3433 4.3681 4.3681 4.4479 4.4479 6.3944 6.3944 6.7817 6.7817 6.9046 6.9046 7.8856 7.8856 7.8894 7.8894 8.3661 8.3661 10.4360 10.4360 10.5247 10.5247 k = 0.0336-0.0580-0.1108 ( 4487 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1324 -31.1324 -30.3720 -30.3720 -30.1826 -30.1826 -16.1645 -16.1645 -15.9879 -15.9879 -15.9844 -15.9844 -6.0958 -6.0958 -4.6791 -4.6791 2.3561 2.3561 4.3409 4.3409 4.4511 4.4511 6.4116 6.4116 6.7028 6.7028 6.8592 6.8592 7.9115 7.9115 7.9198 7.9198 8.3765 8.3765 10.3922 10.3922 10.5113 10.5113 k = 0.0392-0.0677-0.1293 ( 4483 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1327 -31.1327 -30.3723 -30.3723 -30.1826 -30.1826 -16.1647 -16.1647 -15.9879 -15.9879 -15.9847 -15.9847 -6.0836 -6.0836 -4.6761 -4.6761 2.3711 2.3711 4.3097 4.3097 4.4550 4.4550 6.4289 6.4289 6.6165 6.6165 6.8106 6.8106 7.9356 7.9356 7.9532 7.9532 8.3889 8.3889 10.3452 10.3452 10.4951 10.4951 k = 0.0448-0.0774-0.1478 ( 4487 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1329 -31.1329 -30.3727 -30.3727 -30.1827 -30.1827 -16.1649 -16.1649 -15.9881 -15.9881 -15.9850 -15.9850 -6.0696 -6.0696 -4.6727 -4.6727 2.3885 2.3885 4.2752 4.2752 4.4596 4.4596 6.4404 6.4404 6.5296 6.5296 6.7593 6.7593 7.9577 7.9577 7.9883 7.9883 8.4030 8.4030 10.2965 10.2965 10.4759 10.4759 k = 0.0504-0.0871-0.1662 ( 4493 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1332 -31.1332 -30.3731 -30.3731 -30.1827 -30.1827 -16.1652 -16.1652 -15.9882 -15.9882 -15.9854 -15.9854 -6.0537 -6.0537 -4.6689 -4.6689 2.4080 2.4080 4.2379 4.2379 4.4646 4.4646 6.4003 6.4003 6.4880 6.4880 6.7064 6.7064 7.9774 7.9774 8.0242 8.0242 8.4188 8.4188 10.2476 10.2476 10.4539 10.4539 k = 0.0560-0.0967-0.1847 ( 4497 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1335 -31.1335 -30.3736 -30.3736 -30.1827 -30.1827 -16.1655 -16.1655 -15.9885 -15.9885 -15.9857 -15.9857 -6.0361 -6.0361 -4.6646 -4.6646 2.4298 2.4298 4.1983 4.1983 4.4701 4.4701 6.3044 6.3044 6.4950 6.4950 6.6538 6.6538 7.9947 7.9947 8.0606 8.0606 8.4361 8.4361 10.1998 10.1998 10.4290 10.4290 k = 0.0616-0.1064-0.2032 ( 4499 PWs) bands (ev): -56.7421 -56.7421 -44.1235 -44.1235 -31.1339 -31.1339 -30.3742 -30.3742 -30.1827 -30.1827 -16.1658 -16.1658 -15.9888 -15.9888 -15.9860 -15.9860 -6.0168 -6.0168 -4.6600 -4.6600 2.4537 2.4537 4.1569 4.1569 4.4758 4.4758 6.1986 6.1986 6.4996 6.4996 6.6069 6.6069 8.0097 8.0097 8.0968 8.0968 8.4548 8.4548 10.1543 10.1543 10.4012 10.4012 k = 0.0672-0.1161-0.2217 ( 4505 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1343 -31.1343 -30.3747 -30.3747 -30.1827 -30.1827 -16.1661 -16.1661 -15.9893 -15.9893 -15.9863 -15.9863 -5.9957 -5.9957 -4.6551 -4.6551 2.4797 2.4797 4.1141 4.1141 4.4817 4.4817 6.0889 6.0889 6.4817 6.4817 6.5804 6.5804 8.0223 8.0223 8.1326 8.1326 8.4746 8.4746 10.1122 10.1122 10.3708 10.3708 k = 0.0728-0.1258-0.2401 ( 4503 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1347 -31.1347 -30.3753 -30.3753 -30.1827 -30.1827 -16.1665 -16.1665 -15.9897 -15.9897 -15.9865 -15.9865 -5.9730 -5.9730 -4.6498 -4.6498 2.5079 2.5079 4.0703 4.0703 4.4876 4.4876 5.9769 5.9769 6.4365 6.4365 6.5776 6.5776 8.0330 8.0330 8.1677 8.1677 8.4952 8.4952 10.0744 10.0744 10.3378 10.3378 k = 0.0784-0.1354-0.2586 ( 4501 PWs) bands (ev): -56.7419 -56.7419 -44.1233 -44.1233 -31.1351 -31.1351 -30.3760 -30.3760 -30.1827 -30.1827 -16.1668 -16.1668 -15.9903 -15.9903 -15.9866 -15.9866 -5.9487 -5.9487 -4.6442 -4.6442 2.5380 2.5380 4.0259 4.0259 4.4934 4.4934 5.8634 5.8634 6.3795 6.3795 6.5827 6.5827 8.0420 8.0420 8.2018 8.2018 8.5165 8.5165 10.0417 10.0417 10.3024 10.3024 k = 0.0840-0.1451-0.2771 ( 4499 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1355 -31.1355 -30.3766 -30.3766 -30.1827 -30.1827 -16.1672 -16.1672 -15.9910 -15.9910 -15.9867 -15.9867 -5.9228 -5.9228 -4.6383 -4.6383 2.5701 2.5701 3.9812 3.9812 4.4989 4.4989 5.7491 5.7491 6.3183 6.3183 6.5875 6.5875 8.0493 8.0493 8.2347 8.2347 8.5383 8.5383 10.0147 10.0147 10.2649 10.2649 k = 0.0896-0.1548-0.2956 ( 4501 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1360 -31.1360 -30.3773 -30.3773 -30.1827 -30.1827 -16.1676 -16.1676 -15.9917 -15.9917 -15.9868 -15.9868 -5.8953 -5.8953 -4.6322 -4.6322 2.6042 2.6042 3.9364 3.9364 4.5039 4.5039 5.6346 5.6346 6.2552 6.2552 6.5897 6.5897 8.0553 8.0553 8.2662 8.2662 8.5603 8.5603 9.9938 9.9938 10.2253 10.2253 k = 0.0952-0.1645-0.3140 ( 4505 PWs) bands (ev): -56.7417 -56.7417 -44.1231 -44.1231 -31.1365 -31.1365 -30.3781 -30.3781 -30.1827 -30.1827 -16.1681 -16.1681 -15.9925 -15.9925 -15.9868 -15.9868 -5.8664 -5.8664 -4.6258 -4.6258 2.6400 2.6400 3.8918 3.8918 4.5082 4.5082 5.5204 5.5204 6.1911 6.1911 6.5880 6.5880 8.0602 8.0602 8.2962 8.2962 8.5823 8.5823 9.9795 9.9795 10.1842 10.1842 k = 0.1008-0.1741-0.3325 ( 4503 PWs) bands (ev): -56.7416 -56.7416 -44.1230 -44.1230 -31.1370 -31.1370 -30.3788 -30.3788 -30.1827 -30.1827 -16.1685 -16.1685 -15.9933 -15.9933 -15.9869 -15.9869 -5.8361 -5.8361 -4.6193 -4.6193 2.6777 2.6777 3.8477 3.8477 4.5114 4.5114 5.4070 5.4070 6.1264 6.1264 6.5819 6.5819 8.0642 8.0642 8.3248 8.3248 8.6042 8.6042 9.9718 9.9718 10.1416 10.1416 k = 0.1064-0.1838-0.3510 ( 4505 PWs) bands (ev): -56.7415 -56.7415 -44.1230 -44.1230 -31.1375 -31.1375 -30.3796 -30.3796 -30.1827 -30.1827 -16.1690 -16.1690 -15.9942 -15.9942 -15.9869 -15.9869 -5.8044 -5.8044 -4.6125 -4.6125 2.7169 2.7169 3.8042 3.8042 4.5132 4.5132 5.2952 5.2952 6.0616 6.0616 6.5712 6.5712 8.0674 8.0674 8.3517 8.3517 8.6258 8.6258 9.9709 9.9709 10.0980 10.0980 k = 0.1120-0.1935-0.3694 ( 4501 PWs) bands (ev): -56.7414 -56.7414 -44.1229 -44.1229 -31.1381 -31.1381 -30.3804 -30.3804 -30.1827 -30.1827 -16.1695 -16.1695 -15.9950 -15.9950 -15.9869 -15.9869 -5.7714 -5.7714 -4.6057 -4.6057 2.7578 2.7578 3.7617 3.7617 4.5130 4.5130 5.1856 5.1856 5.9967 5.9967 6.5556 6.5556 8.0699 8.0699 8.3772 8.3772 8.6469 8.6469 9.9764 9.9764 10.0537 10.0537 k = 0.1176-0.2032-0.3879 ( 4503 PWs) bands (ev): -56.7413 -56.7413 -44.1228 -44.1228 -31.1386 -31.1386 -30.3812 -30.3812 -30.1827 -30.1827 -16.1700 -16.1700 -15.9959 -15.9959 -15.9869 -15.9869 -5.7372 -5.7372 -4.5987 -4.5987 2.8001 2.8001 3.7201 3.7201 4.5099 4.5099 5.0794 5.0794 5.9321 5.9321 6.5352 6.5352 8.0720 8.0720 8.4012 8.4012 8.6673 8.6673 9.9881 9.9881 10.0091 10.0091 k = 0.1232-0.2128-0.4064 ( 4505 PWs) bands (ev): -56.7412 -56.7412 -44.1228 -44.1228 -31.1392 -31.1392 -30.3821 -30.3821 -30.1827 -30.1827 -16.1705 -16.1705 -15.9968 -15.9968 -15.9870 -15.9870 -5.7019 -5.7019 -4.5916 -4.5916 2.8437 2.8437 3.6797 3.6797 4.5027 4.5027 4.9778 4.9778 5.8678 5.8678 6.5101 6.5101 8.0737 8.0737 8.4239 8.4239 8.6868 8.6868 9.9641 9.9641 10.0060 10.0060 k = 0.1288-0.2225-0.4249 ( 4511 PWs) bands (ev): -56.7411 -56.7411 -44.1227 -44.1227 -31.1398 -31.1398 -30.3830 -30.3830 -30.1827 -30.1827 -16.1711 -16.1711 -15.9978 -15.9978 -15.9870 -15.9870 -5.6654 -5.6654 -4.5846 -4.5846 2.8884 2.8884 3.6406 3.6406 4.4892 4.4892 4.8833 4.8833 5.8042 5.8042 6.4804 6.4804 8.0752 8.0752 8.4453 8.4453 8.7051 8.7051 9.9198 9.9198 10.0288 10.0288 k = 0.1344-0.2322-0.4433 ( 4519 PWs) bands (ev): -56.7410 -56.7410 -44.1226 -44.1226 -31.1404 -31.1404 -30.3839 -30.3839 -30.1827 -30.1827 -16.1717 -16.1717 -15.9987 -15.9987 -15.9870 -15.9870 -5.6280 -5.6280 -4.5775 -4.5775 2.9341 2.9341 3.6029 3.6029 4.4662 4.4662 4.7994 4.7994 5.7412 5.7412 6.4465 6.4465 8.0766 8.0766 8.4654 8.4654 8.7220 8.7220 9.8764 9.8764 10.0563 10.0563 k = 0.1400-0.2419-0.4618 ( 4519 PWs) bands (ev): -56.7409 -56.7409 -44.1225 -44.1225 -31.1410 -31.1410 -30.3847 -30.3847 -30.1827 -30.1827 -16.1722 -16.1722 -15.9997 -15.9997 -15.9870 -15.9870 -5.5897 -5.5897 -4.5704 -4.5704 2.9805 2.9805 3.5667 3.5667 4.4296 4.4296 4.7302 4.7302 5.6792 5.6792 6.4086 6.4086 8.0781 8.0781 8.4846 8.4846 8.7372 8.7372 9.8343 9.8343 10.0877 10.0877 k = 0.1456-0.2515-0.4803 ( 4521 PWs) bands (ev): -56.7409 -56.7409 -44.1225 -44.1225 -31.1416 -31.1416 -30.3856 -30.3856 -30.1827 -30.1827 -16.1728 -16.1728 -16.0006 -16.0006 -15.9871 -15.9871 -5.5506 -5.5506 -4.5634 -4.5634 3.0272 3.0272 3.5321 3.5321 4.3771 4.3771 4.6783 4.6783 5.6181 5.6181 6.3671 6.3671 8.0797 8.0797 8.5027 8.5027 8.7504 8.7504 9.7940 9.7940 10.1224 10.1224 k = 0.1512-0.2612-0.4987 ( 4515 PWs) bands (ev): -56.7408 -56.7408 -44.1224 -44.1224 -31.1422 -31.1422 -30.3865 -30.3865 -30.1827 -30.1827 -16.1734 -16.1734 -16.0015 -16.0015 -15.9870 -15.9870 -5.5108 -5.5108 -4.5566 -4.5566 3.0740 3.0740 3.4993 3.4993 4.3113 4.3113 4.6415 4.6415 5.5582 5.5582 6.3224 6.3224 8.0817 8.0817 8.5198 8.5198 8.7614 8.7614 9.7559 9.7559 10.1597 10.1597 k = 0.1568-0.2709-0.5172 ( 4515 PWs) bands (ev): -56.7407 -56.7407 -44.1223 -44.1223 -31.1427 -31.1427 -30.3873 -30.3873 -30.1827 -30.1827 -16.1739 -16.1739 -16.0024 -16.0024 -15.9871 -15.9871 -5.4703 -5.4703 -4.5498 -4.5498 3.1202 3.1202 3.4682 3.4682 4.2380 4.2380 4.6145 4.6145 5.4996 5.4996 6.2747 6.2747 8.0842 8.0842 8.5361 8.5361 8.7697 8.7697 9.7205 9.7205 10.1988 10.1988 k = 0.1624-0.2806-0.5357 ( 4509 PWs) bands (ev): -56.7406 -56.7406 -44.1222 -44.1222 -31.1433 -31.1433 -30.3882 -30.3882 -30.1827 -30.1827 -16.1745 -16.1745 -16.0033 -16.0033 -15.9871 -15.9871 -5.4294 -5.4294 -4.5432 -4.5432 3.1652 3.1652 3.4389 3.4389 4.1624 4.1624 4.5926 4.5926 5.4424 5.4424 6.2245 6.2245 8.0872 8.0872 8.5514 8.5514 8.7751 8.7751 9.6882 9.6882 10.2390 10.2390 k = 0.1680-0.2902-0.5542 ( 4511 PWs) bands (ev): -56.7405 -56.7405 -44.1221 -44.1221 -31.1439 -31.1439 -30.3891 -30.3891 -30.1827 -30.1827 -16.1751 -16.1751 -16.0042 -16.0042 -15.9871 -15.9871 -5.3880 -5.3880 -4.5368 -4.5368 3.2079 3.2079 3.4115 3.4115 4.0885 4.0885 4.5729 4.5729 5.3867 5.3867 6.1722 6.1722 8.0910 8.0910 8.5659 8.5659 8.7774 8.7774 9.6593 9.6593 10.2795 10.2795 k = 0.1736-0.2999-0.5726 ( 4507 PWs) bands (ev): -56.7404 -56.7404 -44.1221 -44.1221 -31.1445 -31.1445 -30.3899 -30.3899 -30.1826 -30.1826 -16.1756 -16.1756 -16.0051 -16.0051 -15.9871 -15.9871 -5.3464 -5.3464 -4.5307 -4.5307 3.2469 3.2469 3.3860 3.3860 4.0195 4.0195 4.5536 4.5536 5.3326 5.3326 6.1181 6.1181 8.0956 8.0956 8.5794 8.5794 8.7765 8.7765 9.6342 9.6342 10.3198 10.3198 k = 0.1792-0.3096-0.5911 ( 4505 PWs) bands (ev): -56.7403 -56.7403 -44.1220 -44.1220 -31.1450 -31.1450 -30.3907 -30.3907 -30.1826 -30.1826 -16.1762 -16.1762 -16.0059 -16.0059 -15.9871 -15.9871 -5.3046 -5.3046 -4.5248 -4.5248 3.2800 3.2800 3.3625 3.3625 3.9583 3.9583 4.5336 4.5336 5.2803 5.2803 6.0625 6.0625 8.1011 8.1011 8.5921 8.5921 8.7721 8.7721 9.6129 9.6129 10.3591 10.3591 k = 0.1848-0.3193-0.6096 ( 4507 PWs) bands (ev): -56.7402 -56.7402 -44.1219 -44.1219 -31.1456 -31.1456 -30.3916 -30.3916 -30.1826 -30.1826 -16.1767 -16.1767 -16.0067 -16.0067 -15.9872 -15.9872 -5.2627 -5.2627 -4.5193 -4.5193 3.3041 3.3041 3.3413 3.3413 3.9082 3.9082 4.5126 4.5126 5.2298 5.2298 6.0057 6.0057 8.1077 8.1077 8.6039 8.6039 8.7645 8.7645 9.5956 9.5956 10.3968 10.3968 k = 0.1904-0.3289-0.6280 ( 4503 PWs) bands (ev): -56.7401 -56.7401 -44.1218 -44.1218 -31.1461 -31.1461 -30.3924 -30.3924 -30.1826 -30.1826 -16.1773 -16.1773 -16.0075 -16.0075 -15.9872 -15.9872 -5.2210 -5.2210 -4.5140 -4.5140 3.3133 3.3133 3.3254 3.3254 3.8726 3.8726 4.4901 4.4901 5.1813 5.1813 5.9480 5.9480 8.1155 8.1155 8.6147 8.6147 8.7539 8.7539 9.5820 9.5820 10.4324 10.4324 k = 0.1960-0.3386-0.6465 ( 4503 PWs) bands (ev): -56.7400 -56.7400 -44.1218 -44.1218 -31.1467 -31.1467 -30.3932 -30.3932 -30.1826 -30.1826 -16.1778 -16.1778 -16.0083 -16.0083 -15.9873 -15.9873 -5.1794 -5.1794 -4.5091 -4.5091 3.3007 3.3007 3.3191 3.3191 3.8538 3.8538 4.4663 4.4663 5.1349 5.1349 5.8898 5.8898 8.1244 8.1244 8.6244 8.6244 8.7406 8.7406 9.5721 9.5721 10.4652 10.4652 k = 0.2016-0.3483-0.6650 ( 4503 PWs) bands (ev): -56.7399 -56.7399 -44.1217 -44.1217 -31.1472 -31.1472 -30.3939 -30.3939 -30.1826 -30.1826 -16.1783 -16.1783 -16.0091 -16.0091 -15.9873 -15.9873 -5.1381 -5.1381 -4.5046 -4.5046 3.2853 3.2853 3.3035 3.3035 3.8517 3.8517 4.4412 4.4412 5.0905 5.0905 5.8311 5.8311 8.1346 8.1346 8.6330 8.6330 8.7251 8.7251 9.5655 9.5655 10.4947 10.4947 k = 0.2072-0.3579-0.6835 ( 4505 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1477 -31.1477 -30.3947 -30.3947 -30.1826 -30.1826 -16.1788 -16.1788 -16.0098 -16.0098 -15.9873 -15.9873 -5.0973 -5.0973 -4.5005 -4.5005 3.2708 3.2708 3.2771 3.2771 3.8634 3.8634 4.4154 4.4154 5.0484 5.0484 5.7724 5.7724 8.1459 8.1459 8.6398 8.6398 8.7085 8.7085 9.5618 9.5618 10.5206 10.5206 k = 0.2128-0.3676-0.7019 ( 4503 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1482 -31.1482 -30.3954 -30.3954 -30.1826 -30.1826 -16.1793 -16.1793 -16.0105 -16.0105 -15.9874 -15.9874 -5.0571 -5.0571 -4.4968 -4.4968 3.2419 3.2419 3.2594 3.2594 3.8842 3.8842 4.3896 4.3896 5.0086 5.0086 5.7138 5.7138 8.1584 8.1584 8.6438 8.6438 8.6925 8.6925 9.5606 9.5606 10.5424 10.5424 k = 0.2184-0.3773-0.7204 ( 4501 PWs) bands (ev): -56.7397 -56.7397 -44.1215 -44.1215 -31.1486 -31.1486 -30.3961 -30.3961 -30.1826 -30.1826 -16.1797 -16.1797 -16.0112 -16.0112 -15.9874 -15.9874 -5.0175 -5.0175 -4.4935 -4.4935 3.2037 3.2037 3.2487 3.2487 3.9092 3.9092 4.3651 4.3651 4.9712 4.9712 5.6554 5.6554 8.1719 8.1719 8.6416 8.6416 8.6809 8.6809 9.5616 9.5616 10.5599 10.5599 k = 0.2240-0.3870-0.7389 ( 4499 PWs) bands (ev): -56.7396 -56.7396 -44.1214 -44.1214 -31.1491 -31.1491 -30.3968 -30.3968 -30.1826 -30.1826 -16.1801 -16.1801 -16.0118 -16.0118 -15.9875 -15.9875 -4.9789 -4.9789 -4.4907 -4.4907 3.1642 3.1642 3.2397 3.2397 3.9336 3.9336 4.3441 4.3441 4.9361 4.9361 5.5977 5.5977 8.1862 8.1862 8.6302 8.6302 8.6775 8.6775 9.5643 9.5643 10.5727 10.5727 k = 0.2296-0.3966-0.7574 ( 4499 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1495 -31.1495 -30.3974 -30.3974 -30.1826 -30.1826 -16.1806 -16.1806 -16.0124 -16.0124 -15.9876 -15.9876 -4.9412 -4.9412 -4.4884 -4.4884 3.1254 3.1254 3.2324 3.2324 3.9526 3.9526 4.3294 4.3294 4.9036 4.9036 5.5406 5.5406 8.2011 8.2011 8.6133 8.6133 8.6789 8.6789 9.5686 9.5686 10.5806 10.5806 k = 0.2352-0.4063-0.7758 ( 4513 PWs) bands (ev): -56.7395 -56.7395 -44.1213 -44.1213 -31.1499 -31.1499 -30.3981 -30.3981 -30.1826 -30.1826 -16.1810 -16.1810 -16.0131 -16.0131 -15.9877 -15.9877 -4.9046 -4.9046 -4.4865 -4.4865 3.0887 3.0887 3.2266 3.2266 3.9615 3.9615 4.3246 4.3246 4.8735 4.8735 5.4844 5.4844 8.2162 8.2162 8.5950 8.5950 8.6817 8.6817 9.5740 9.5740 10.5838 10.5838 k = 0.2408-0.4160-0.7943 ( 4513 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1503 -31.1503 -30.3986 -30.3986 -30.1826 -30.1826 -16.1814 -16.1814 -16.0136 -16.0136 -15.9877 -15.9877 -4.8692 -4.8692 -4.4852 -4.4852 3.0549 3.0549 3.2223 3.2223 3.9571 3.9571 4.3319 4.3319 4.8460 4.8460 5.4294 5.4294 8.2311 8.2311 8.5774 8.5774 8.6845 8.6845 9.5806 9.5806 10.5821 10.5821 k = 0.2464-0.4257-0.8128 ( 4507 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1507 -31.1507 -30.3991 -30.3991 -30.1826 -30.1826 -16.1817 -16.1817 -16.0141 -16.0141 -15.9878 -15.9878 -4.8351 -4.8351 -4.4843 -4.4843 3.0248 3.0248 3.2193 3.2193 3.9391 3.9391 4.3511 4.3511 4.8210 4.8210 5.3757 5.3757 8.2453 8.2453 8.5616 8.5616 8.6871 8.6871 9.5881 9.5881 10.5757 10.5757 k = 0.2520-0.4353-0.8312 ( 4507 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1510 -31.1510 -30.3996 -30.3996 -30.1826 -30.1826 -16.1820 -16.1820 -16.0146 -16.0146 -15.9879 -15.9879 -4.8025 -4.8025 -4.4839 -4.4839 2.9988 2.9988 3.2175 3.2175 3.9098 3.9098 4.3796 4.3796 4.7985 4.7985 5.3235 5.3235 8.2579 8.2579 8.5484 8.5484 8.6892 8.6892 9.5965 9.5965 10.5648 10.5648 k = 0.2576-0.4450-0.8497 ( 4505 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1513 -31.1513 -30.4001 -30.4001 -30.1826 -30.1826 -16.1823 -16.1823 -16.0150 -16.0150 -15.9879 -15.9879 -4.7714 -4.7714 -4.4840 -4.4840 2.9774 2.9774 3.2169 3.2169 3.8720 3.8720 4.4142 4.4142 4.7783 4.7783 5.2732 5.2732 8.2683 8.2683 8.5387 8.5387 8.6907 8.6907 9.6058 9.6058 10.5496 10.5496 k = 0.2632-0.4547-0.8682 ( 4507 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1516 -31.1516 -30.4005 -30.4005 -30.1826 -30.1826 -16.1825 -16.1825 -16.0154 -16.0154 -15.9880 -15.9880 -4.7419 -4.7419 -4.4847 -4.4847 2.9606 2.9606 3.2172 3.2172 3.8281 3.8281 4.4525 4.4525 4.7605 4.7605 5.2249 5.2249 8.2757 8.2757 8.5331 8.5331 8.6916 8.6916 9.6161 9.6161 10.5304 10.5304 k = 0.2688-0.4644-0.8867 ( 4509 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1519 -31.1519 -30.4009 -30.4009 -30.1826 -30.1826 -16.1828 -16.1828 -16.0158 -16.0158 -15.9881 -15.9881 -4.7142 -4.7142 -4.4857 -4.4857 2.9488 2.9488 3.2184 3.2184 3.7798 3.7798 4.4925 4.4925 4.7447 4.7447 5.1790 5.1790 8.2798 8.2798 8.5319 8.5319 8.6920 8.6920 9.6274 9.6274 10.5077 10.5077 k = 0.2744-0.4740-0.9051 ( 4507 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1521 -31.1521 -30.4013 -30.4013 -30.1826 -30.1826 -16.1830 -16.1830 -16.0161 -16.0161 -15.9882 -15.9882 -4.6882 -4.6882 -4.4873 -4.4873 2.9422 2.9422 3.2203 3.2203 3.7282 3.7282 4.5331 4.5331 4.7308 4.7308 5.1358 5.1358 8.2805 8.2805 8.5350 8.5350 8.6918 8.6918 9.6400 9.6400 10.4818 10.4818 k = 0.2800-0.4837-0.9236 ( 4509 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1523 -31.1523 -30.4016 -30.4016 -30.1826 -30.1826 -16.1832 -16.1832 -16.0164 -16.0164 -15.9882 -15.9882 -4.6640 -4.6640 -4.4893 -4.4893 2.9407 2.9407 3.2228 3.2228 3.6742 3.6742 4.5733 4.5733 4.7185 4.7185 5.0959 5.0959 8.2783 8.2783 8.5416 8.5416 8.6910 8.6910 9.6540 9.6540 10.4533 10.4533 k = 0.2856-0.4934-0.9421 ( 4515 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1525 -31.1525 -30.4019 -30.4019 -30.1826 -30.1826 -16.1833 -16.1833 -16.0167 -16.0167 -15.9883 -15.9883 -4.6417 -4.6417 -4.4918 -4.4918 2.9446 2.9446 3.2257 3.2257 3.6184 3.6184 4.6124 4.6124 4.7073 4.7073 5.0597 5.0597 8.2739 8.2739 8.5509 8.5509 8.6896 8.6896 9.6695 9.6695 10.4225 10.4225 k = 0.2912-0.5031-0.9605 ( 4507 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1527 -31.1527 -30.4022 -30.4022 -30.1826 -30.1826 -16.1834 -16.1834 -16.0169 -16.0169 -15.9884 -15.9884 -4.6214 -4.6214 -4.4947 -4.4947 2.9538 2.9538 3.2290 3.2290 3.5613 3.5613 4.6496 4.6496 4.6972 4.6972 5.0280 5.0280 8.2682 8.2682 8.5617 8.5617 8.6876 8.6876 9.6870 9.6870 10.3900 10.3900 k = 0.2967-0.5127-0.9790 ( 4513 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1528 -31.1528 -30.4024 -30.4024 -30.1826 -30.1826 -16.1836 -16.1836 -16.0171 -16.0171 -15.9884 -15.9884 -4.6029 -4.6029 -4.4980 -4.4980 2.9683 2.9683 3.2323 3.2323 3.5032 3.5032 4.6771 4.6771 4.6948 4.6948 5.0013 5.0013 8.2617 8.2617 8.5731 8.5731 8.6851 8.6851 9.7064 9.7064 10.3563 10.3563 k = 0.3023-0.5224-0.9975 ( 4515 PWs) bands (ev): -56.7390 -56.7390 -44.1209 -44.1209 -31.1529 -31.1529 -30.4026 -30.4026 -30.1826 -30.1826 -16.1837 -16.1837 -16.0173 -16.0173 -15.9885 -15.9885 -4.5864 -4.5864 -4.5017 -4.5017 2.9882 2.9882 3.2358 3.2358 3.4444 3.4444 4.6709 4.6709 4.7235 4.7235 4.9803 4.9803 8.2549 8.2549 8.5843 8.5843 8.6820 8.6820 9.7280 9.7280 10.3218 10.3218 k = 0.3079-0.5321-1.0160 ( 4511 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1530 -31.1530 -30.4027 -30.4027 -30.1826 -30.1826 -16.1837 -16.1837 -16.0174 -16.0174 -15.9885 -15.9885 -4.5718 -4.5718 -4.5058 -4.5058 3.0134 3.0134 3.2391 3.2391 3.3853 3.3853 4.6584 4.6584 4.7550 4.7550 4.9655 4.9655 8.2483 8.2483 8.5947 8.5947 8.6784 8.6784 9.7520 9.7520 10.2873 10.2873 k = 0.3135-0.5418-1.0344 ( 4515 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4029 -30.4029 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9886 -15.9886 -4.5591 -4.5591 -4.5102 -4.5102 3.0438 3.0438 3.2420 3.2420 3.3262 3.3262 4.6440 4.6440 4.7847 4.7847 4.9570 4.9570 8.2419 8.2419 8.6037 8.6037 8.6744 8.6744 9.7784 9.7784 10.2529 10.2529 k = 0.3191-0.5514-1.0529 ( 4515 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0176 -16.0176 -15.9886 -15.9886 -4.5483 -4.5483 -4.5148 -4.5148 3.0792 3.0792 3.2434 3.2434 3.2685 3.2685 4.6283 4.6283 4.8121 4.8121 4.9546 4.9546 8.2358 8.2358 8.6110 8.6110 8.6699 8.6699 9.8074 9.8074 10.2194 10.2194 k = 0.3247-0.5611-1.0714 ( 4517 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5393 -4.5393 -4.5197 -4.5197 3.1196 3.1196 3.2064 3.2064 3.2491 3.2491 4.6118 4.6118 4.8372 4.8372 4.9577 4.9577 8.2300 8.2300 8.6162 8.6162 8.6652 8.6652 9.8388 9.8388 10.1871 10.1871 k = 0.3303-0.5708-1.0898 ( 4511 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5325 -4.5325 -4.5244 -4.5244 3.1465 3.1465 3.1668 3.1668 3.2506 3.2506 4.5950 4.5950 4.8599 4.8599 4.9656 4.9656 8.2244 8.2244 8.6190 8.6190 8.6607 8.6607 9.8728 9.8728 10.1565 10.1565 k = 0.3359-0.5805-1.1083 ( 4511 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5319 -4.5319 -4.5248 -4.5248 3.0900 3.0900 3.2147 3.2147 3.2527 3.2527 4.5786 4.5786 4.8801 4.8801 4.9775 4.9775 8.2188 8.2188 8.6192 8.6192 8.6567 8.6567 9.9089 9.9089 10.1281 10.1281 k = 0.3415-0.5901-1.1268 ( 4515 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5370 -4.5370 -4.5212 -4.5212 3.0330 3.0330 3.2485 3.2485 3.2740 3.2740 4.5632 4.5632 4.8981 4.8981 4.9928 4.9928 8.2128 8.2128 8.6165 8.6165 8.6535 8.6535 9.9472 9.9472 10.1021 10.1021 k = 0.6585-0.4559-1.0456 ( 4515 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0177 -16.0177 -15.9886 -15.9886 -4.5370 -4.5370 -4.5212 -4.5212 3.0330 3.0330 3.2485 3.2485 3.2740 3.2740 4.5632 4.5632 4.8981 4.8981 4.9928 4.9928 8.2128 8.2128 8.6165 8.6165 8.6535 8.6535 9.9472 9.9472 10.1021 10.1021 k = 0.6528-0.4348-1.0456 ( 4515 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1532 -31.1532 -30.4030 -30.4030 -30.1826 -30.1826 -16.1839 -16.1839 -16.0176 -16.0176 -15.9886 -15.9886 -4.5428 -4.5428 -4.5187 -4.5187 2.9761 2.9761 3.2504 3.2504 3.3317 3.3317 4.5490 4.5490 4.9140 4.9140 5.0110 5.0110 8.2063 8.2063 8.6110 8.6110 8.6512 8.6512 9.9877 9.9877 10.0789 10.0789 k = 0.6471-0.4137-1.0456 ( 4509 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4029 -30.4029 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9885 -15.9885 -4.5488 -4.5488 -4.5174 -4.5174 2.9203 2.9203 3.2498 3.2498 3.3953 3.3953 4.5366 4.5366 4.9279 4.9279 5.0312 5.0312 8.1988 8.1988 8.6035 8.6035 8.6496 8.6496 10.0297 10.0297 10.0591 10.0591 k = 0.6415-0.3926-1.0456 ( 4513 PWs) bands (ev): -56.7389 -56.7389 -44.1209 -44.1209 -31.1531 -31.1531 -30.4028 -30.4028 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9885 -15.9885 -4.5550 -4.5550 -4.5174 -4.5174 2.8657 2.8657 3.2482 3.2482 3.4631 3.4631 4.5262 4.5262 4.9398 4.9398 5.0530 5.0530 8.1901 8.1901 8.5944 8.5944 8.6486 8.6486 10.0419 10.0419 10.0739 10.0739 k = 0.6358-0.3716-1.0456 ( 4523 PWs) bands (ev): -56.7390 -56.7390 -44.1209 -44.1209 -31.1530 -31.1530 -30.4027 -30.4027 -30.1826 -30.1826 -16.1838 -16.1838 -16.0175 -16.0175 -15.9885 -15.9885 -4.5613 -4.5613 -4.5186 -4.5186 2.8123 2.8123 3.2457 3.2457 3.5346 3.5346 4.5181 4.5181 4.9498 4.9498 5.0757 5.0757 8.1797 8.1797 8.5841 8.5841 8.6481 8.6481 10.0295 10.0295 10.1181 10.1181 k = 0.6302-0.3505-1.0456 ( 4523 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1530 -31.1530 -30.4026 -30.4026 -30.1826 -30.1826 -16.1838 -16.1838 -16.0174 -16.0174 -15.9884 -15.9884 -4.5676 -4.5676 -4.5208 -4.5208 2.7604 2.7604 3.2424 3.2424 3.6094 3.6094 4.5123 4.5123 4.9584 4.9584 5.0991 5.0991 8.1674 8.1674 8.5731 8.5731 8.6482 8.6482 10.0208 10.0208 10.1632 10.1632 k = 0.6245-0.3294-1.0456 ( 4521 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1529 -31.1529 -30.4024 -30.4024 -30.1826 -30.1826 -16.1837 -16.1837 -16.0173 -16.0173 -15.9883 -15.9883 -4.5739 -4.5739 -4.5240 -4.5240 2.7100 2.7100 3.2383 3.2383 3.6872 3.6872 4.5089 4.5089 4.9655 4.9655 5.1226 5.1226 8.1529 8.1529 8.5616 8.5616 8.6490 8.6490 10.0164 10.0164 10.2086 10.2086 k = 0.6188-0.3083-1.0456 ( 4519 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1528 -31.1528 -30.4023 -30.4023 -30.1826 -30.1826 -16.1837 -16.1837 -16.0171 -16.0171 -15.9881 -15.9881 -4.5802 -4.5802 -4.5280 -4.5280 2.6612 2.6612 3.2336 3.2336 3.7675 3.7675 4.5079 4.5079 4.9716 4.9716 5.1459 5.1459 8.1361 8.1361 8.5498 8.5498 8.6507 8.6507 10.0162 10.0162 10.2541 10.2541 k = 0.6132-0.2873-1.0456 ( 4517 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1527 -31.1527 -30.4021 -30.4021 -30.1826 -30.1826 -16.1836 -16.1836 -16.0170 -16.0170 -15.9880 -15.9880 -4.5864 -4.5864 -4.5327 -4.5327 2.6142 2.6142 3.2281 3.2281 3.8500 3.8500 4.5093 4.5093 4.9768 4.9768 5.1685 5.1685 8.1169 8.1169 8.5379 8.5379 8.6532 8.6532 10.0202 10.0202 10.2991 10.2991 k = 0.6075-0.2662-1.0456 ( 4504 PWs) bands (ev): -56.7390 -56.7390 -44.1210 -44.1210 -31.1525 -31.1525 -30.4019 -30.4019 -30.1825 -30.1825 -16.1835 -16.1835 -16.0169 -16.0169 -15.9878 -15.9878 -4.5925 -4.5925 -4.5380 -4.5380 2.5689 2.5689 3.2221 3.2221 3.9340 3.9340 4.5131 4.5131 4.9816 4.9816 5.1901 5.1901 8.0951 8.0951 8.5263 8.5263 8.6565 8.6565 10.0286 10.0286 10.3436 10.3436 k = 0.6019-0.2451-1.0456 ( 4500 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1524 -31.1524 -30.4017 -30.4017 -30.1825 -30.1825 -16.1834 -16.1834 -16.0167 -16.0167 -15.9877 -15.9877 -4.5986 -4.5986 -4.5437 -4.5437 2.5255 2.5255 3.2156 3.2156 4.0190 4.0190 4.5190 4.5190 4.9862 4.9862 5.2104 5.2104 8.0707 8.0707 8.5150 8.5150 8.6607 8.6607 10.0412 10.0412 10.3871 10.3871 k = 0.5962-0.2240-1.0456 ( 4504 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1523 -31.1523 -30.4015 -30.4015 -30.1825 -30.1825 -16.1834 -16.1834 -16.0167 -16.0167 -15.9875 -15.9875 -4.6045 -4.6045 -4.5499 -4.5499 2.4841 2.4841 3.2088 3.2088 4.1042 4.1042 4.5271 4.5271 4.9912 4.9912 5.2292 5.2292 8.0440 8.0440 8.5042 8.5042 8.6655 8.6655 10.0580 10.0580 10.4293 10.4293 k = 0.5905-0.2030-1.0456 ( 4510 PWs) bands (ev): -56.7391 -56.7391 -44.1210 -44.1210 -31.1522 -31.1522 -30.4014 -30.4014 -30.1825 -30.1825 -16.1834 -16.1834 -16.0166 -16.0166 -15.9874 -15.9874 -4.6102 -4.6102 -4.5563 -4.5563 2.4447 2.4447 3.2016 3.2016 4.1889 4.1889 4.5371 4.5371 4.9971 4.9971 5.2461 5.2461 8.0149 8.0149 8.4941 8.4941 8.6709 8.6709 10.0789 10.0789 10.4701 10.4701 k = 0.5849-0.1819-1.0456 ( 4516 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1521 -31.1521 -30.4012 -30.4012 -30.1825 -30.1825 -16.1834 -16.1834 -16.0165 -16.0165 -15.9872 -15.9872 -4.6157 -4.6157 -4.5628 -4.5628 2.4074 2.4074 3.1943 3.1943 4.2719 4.2719 4.5489 4.5489 5.0045 5.0045 5.2611 5.2611 7.9837 7.9837 8.4849 8.4849 8.6767 8.6767 10.1036 10.1036 10.5092 10.5092 k = 0.5792-0.1608-1.0456 ( 4522 PWs) bands (ev): -56.7391 -56.7391 -44.1211 -44.1211 -31.1520 -31.1520 -30.4010 -30.4010 -30.1825 -30.1825 -16.1833 -16.1833 -16.0164 -16.0164 -15.9871 -15.9871 -4.6210 -4.6210 -4.5694 -4.5694 2.3722 2.3722 3.1869 3.1869 4.3520 4.3520 4.5623 4.5623 5.0144 5.0144 5.2740 5.2740 7.9505 7.9505 8.4765 8.4765 8.6828 8.6828 10.1321 10.1321 10.5463 10.5463 k = 0.5736-0.1397-1.0456 ( 4524 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1519 -31.1519 -30.4009 -30.4009 -30.1825 -30.1825 -16.1833 -16.1833 -16.0163 -16.0163 -15.9869 -15.9869 -4.6260 -4.6260 -4.5759 -4.5759 2.3393 2.3393 3.1796 3.1796 4.4276 4.4276 4.5772 4.5772 5.0278 5.0278 5.2848 5.2848 7.9157 7.9157 8.4692 8.4692 8.6890 8.6890 10.1639 10.1639 10.5814 10.5814 k = 0.5679-0.1187-1.0456 ( 4526 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1518 -31.1518 -30.4007 -30.4007 -30.1825 -30.1825 -16.1833 -16.1833 -16.0163 -16.0163 -15.9867 -15.9867 -4.6307 -4.6307 -4.5824 -4.5824 2.3085 2.3085 3.1723 3.1723 4.4967 4.4967 4.5935 4.5935 5.0459 5.0459 5.2934 5.2934 7.8796 7.8796 8.4628 8.4628 8.6952 8.6952 10.1988 10.1988 10.6142 10.6142 k = 0.5623-0.0976-1.0456 ( 4528 PWs) bands (ev): -56.7392 -56.7392 -44.1211 -44.1211 -31.1517 -31.1517 -30.4005 -30.4005 -30.1825 -30.1825 -16.1833 -16.1833 -16.0162 -16.0162 -15.9865 -15.9865 -4.6352 -4.6352 -4.5886 -4.5886 2.2801 2.2801 3.1653 3.1653 4.5568 4.5568 4.6116 4.6116 5.0700 5.0700 5.2999 5.2999 7.8424 7.8424 8.4575 8.4575 8.7012 8.7012 10.2364 10.2364 10.6447 10.6447 k = 0.5566-0.0765-1.0456 ( 4522 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1516 -31.1516 -30.4004 -30.4004 -30.1824 -30.1824 -16.1832 -16.1832 -16.0161 -16.0161 -15.9863 -15.9863 -4.6393 -4.6393 -4.5945 -4.5945 2.2540 2.2540 3.1587 3.1587 4.6037 4.6037 4.6340 4.6340 5.1007 5.1007 5.3047 5.3047 7.8047 7.8047 8.4531 8.4531 8.7070 8.7070 10.2761 10.2761 10.6727 10.6727 k = 0.5509-0.0554-1.0456 ( 4522 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1515 -31.1515 -30.4002 -30.4002 -30.1824 -30.1824 -16.1832 -16.1832 -16.0161 -16.0161 -15.9861 -15.9861 -4.6431 -4.6431 -4.6001 -4.6001 2.2303 2.2303 3.1524 3.1524 4.6328 4.6328 4.6641 4.6641 5.1379 5.1379 5.3079 5.3079 7.7669 7.7669 8.4496 8.4496 8.7125 8.7125 10.3174 10.3174 10.6981 10.6981 k = 0.5453-0.0344-1.0456 ( 4524 PWs) bands (ev): -56.7392 -56.7392 -44.1212 -44.1212 -31.1515 -31.1515 -30.4001 -30.4001 -30.1824 -30.1824 -16.1832 -16.1832 -16.0160 -16.0160 -15.9860 -15.9860 -4.6465 -4.6465 -4.6053 -4.6053 2.2090 2.2090 3.1465 3.1465 4.6527 4.6527 4.6936 4.6936 5.1797 5.1797 5.3104 5.3104 7.7296 7.7296 8.4469 8.4469 8.7175 8.7175 10.3594 10.3594 10.7208 10.7208 k = 0.5396-0.0133-1.0456 ( 4524 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1514 -31.1514 -30.4000 -30.4000 -30.1824 -30.1824 -16.1832 -16.1832 -16.0160 -16.0160 -15.9858 -15.9858 -4.6496 -4.6496 -4.6099 -4.6099 2.1902 2.1902 3.1413 3.1413 4.6698 4.6698 4.7169 4.7169 5.2226 5.2226 5.3137 5.3137 7.6935 7.6935 8.4448 8.4448 8.7221 8.7221 10.4012 10.4012 10.7409 10.7409 k = 0.5340 0.0078-1.0456 ( 4520 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1513 -31.1513 -30.3998 -30.3998 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9857 -15.9857 -4.6523 -4.6523 -4.6141 -4.6141 2.1738 2.1738 3.1366 3.1366 4.6853 4.6853 4.7342 4.7342 5.2592 5.2592 5.3227 5.3227 7.6594 7.6594 8.4434 8.4434 8.7262 8.7262 10.4418 10.4418 10.7583 10.7583 k = 0.5283 0.0289-1.0456 ( 4516 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1513 -31.1513 -30.3997 -30.3997 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9856 -15.9856 -4.6546 -4.6546 -4.6177 -4.6177 2.1598 2.1598 3.1325 3.1325 4.6990 4.6990 4.7468 4.7468 5.2785 5.2785 5.3462 5.3462 7.6283 7.6283 8.4424 8.4424 8.7297 8.7297 10.4800 10.4800 10.7730 10.7730 k = 0.5226 0.0500-1.0456 ( 4522 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3997 -30.3997 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9855 -15.9855 -4.6565 -4.6565 -4.6207 -4.6207 2.1484 2.1484 3.1291 3.1291 4.7107 4.7107 4.7560 4.7560 5.2837 5.2837 5.3789 5.3789 7.6010 7.6010 8.4417 8.4417 8.7325 8.7325 10.5142 10.5142 10.7850 10.7850 k = 0.5170 0.0710-1.0456 ( 4518 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6580 -4.6580 -4.6231 -4.6231 2.1395 2.1395 3.1264 3.1264 4.7201 4.7201 4.7625 4.7625 5.2841 5.2841 5.4098 5.4098 7.5785 7.5785 8.4413 8.4413 8.7348 8.7348 10.5430 10.5430 10.7943 10.7943 k = 0.5113 0.0921-1.0456 ( 4518 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6590 -4.6590 -4.6248 -4.6248 2.1332 2.1332 3.1245 3.1245 4.7269 4.7269 4.7668 4.7668 5.2833 5.2833 5.4339 5.4339 7.5617 7.5617 8.4411 8.4411 8.7364 8.7364 10.5650 10.5650 10.8010 10.8010 k = 0.5057 0.1132-1.0456 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6597 -4.6597 -4.6258 -4.6258 2.1294 2.1294 3.1234 3.1234 4.7310 4.7310 4.7694 4.7694 5.2825 5.2825 5.4491 5.4491 7.5512 7.5512 8.4409 8.4409 8.7373 8.7373 10.5787 10.5787 10.8049 10.8049 k = 0.5000 0.1343-1.0456 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6599 -4.6599 -4.6261 -4.6261 2.1281 2.1281 3.1230 3.1230 4.7324 4.7324 4.7703 4.7703 5.2822 5.2822 5.4543 5.4543 7.5477 7.5477 8.4409 8.4409 8.7377 8.7377 10.5834 10.5834 10.8062 10.8062 k = 0.5000 0.1343-1.0456 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6599 -4.6599 -4.6261 -4.6261 2.1281 2.1281 3.1230 3.1230 4.7324 4.7324 4.7703 4.7703 5.2822 5.2822 5.4543 5.4543 7.5477 7.5477 8.4409 8.4409 8.7377 8.7377 10.5834 10.5834 10.8062 10.8062 k = 0.5176 0.1390-1.0365 ( 4520 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6604 -4.6604 -4.6258 -4.6258 2.1287 2.1287 3.1234 3.1234 4.7321 4.7321 4.7694 4.7694 5.2816 5.2816 5.4544 5.4544 7.5482 7.5482 8.4409 8.4409 8.7376 8.7376 10.5831 10.5831 10.8029 10.8029 k = 0.5352 0.1437-1.0275 ( 4513 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6620 -4.6620 -4.6247 -4.6247 2.1305 2.1305 3.1246 3.1246 4.7312 4.7312 4.7667 4.7667 5.2800 5.2800 5.4547 5.4547 7.5497 7.5497 8.4410 8.4410 8.7374 8.7374 10.5820 10.5820 10.7930 10.7930 k = 0.5528 0.1484-1.0185 ( 4511 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6644 -4.6644 -4.6230 -4.6230 2.1336 2.1336 3.1266 3.1266 4.7295 4.7295 4.7626 4.7626 5.2773 5.2773 5.4553 5.4553 7.5522 7.5522 8.4412 8.4412 8.7371 8.7371 10.5803 10.5803 10.7773 10.7773 k = 0.5704 0.1532-1.0094 ( 4512 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1823 -30.1823 -16.1830 -16.1830 -16.0158 -16.0158 -15.9853 -15.9853 -4.6677 -4.6677 -4.6209 -4.6209 2.1378 2.1378 3.1294 3.1294 4.7265 4.7265 4.7574 4.7574 5.2737 5.2737 5.4561 5.4561 7.5555 7.5555 8.4414 8.4414 8.7367 8.7367 10.5779 10.5779 10.7565 10.7565 k = 0.5880 0.1579-1.0004 ( 4517 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1823 -30.1823 -16.1830 -16.1830 -16.0158 -16.0158 -15.9853 -15.9853 -4.6715 -4.6715 -4.6185 -4.6185 2.1432 2.1432 3.1329 3.1329 4.7214 4.7214 4.7520 4.7520 5.2691 5.2691 5.4570 5.4570 7.5598 7.5598 8.4417 8.4417 8.7363 8.7363 10.5748 10.5748 10.7317 10.7317 k = 0.6056 0.1626-0.9914 ( 4521 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1823 -30.1823 -16.1830 -16.1830 -16.0157 -16.0157 -15.9853 -15.9853 -4.6758 -4.6758 -4.6159 -4.6159 2.1498 2.1498 3.1372 3.1372 4.7135 4.7135 4.7472 4.7472 5.2637 5.2637 5.4583 5.4583 7.5650 7.5650 8.4420 8.4420 8.7358 8.7358 10.5712 10.5712 10.7039 10.7039 k = 0.6232 0.1673-0.9824 ( 4526 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1824 -30.1824 -16.1830 -16.1830 -16.0157 -16.0157 -15.9853 -15.9853 -4.6807 -4.6807 -4.6131 -4.6131 2.1575 2.1575 3.1422 3.1422 4.7023 4.7023 4.7436 4.7436 5.2575 5.2575 5.4597 5.4597 7.5709 7.5709 8.4424 8.4424 8.7353 8.7353 10.5670 10.5670 10.6741 10.6741 k = 0.6409 0.1721-0.9733 ( 4527 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1824 -30.1824 -16.1830 -16.1830 -16.0157 -16.0157 -15.9853 -15.9853 -4.6860 -4.6860 -4.6102 -4.6102 2.1662 2.1662 3.1478 3.1478 4.6882 4.6882 4.7409 4.7409 5.2506 5.2506 5.4613 5.4613 7.5775 7.5775 8.4428 8.4428 8.7349 8.7349 10.5623 10.5623 10.6431 10.6431 k = 0.6585 0.1768-0.9643 ( 4514 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1510 -31.1510 -30.3994 -30.3994 -30.1823 -30.1823 -16.1830 -16.1830 -16.0156 -16.0156 -15.9853 -15.9853 -4.6916 -4.6916 -4.6071 -4.6071 2.1761 2.1761 3.1541 3.1541 4.6717 4.6717 4.7388 4.7388 5.2433 5.2433 5.4632 5.4632 7.5848 7.5848 8.4434 8.4434 8.7347 8.7347 10.5571 10.5571 10.6116 10.6116 k = 0.6585 0.1768-0.9643 ( 4514 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1510 -31.1510 -30.3994 -30.3994 -30.1823 -30.1823 -16.1830 -16.1830 -16.0156 -16.0156 -15.9853 -15.9853 -4.6916 -4.6916 -4.6071 -4.6071 2.1761 2.1761 3.1541 3.1541 4.6717 4.6717 4.7388 4.7388 5.2433 5.2433 5.4632 5.4632 7.5848 7.5848 8.4434 8.4434 8.7347 8.7347 10.5571 10.5571 10.6116 10.6116 k = 0.6552 0.1759-0.9430 ( 4517 PWs) bands (ev): -56.7393 -56.7393 -44.1213 -44.1213 -31.1509 -31.1509 -30.3992 -30.3992 -30.1823 -30.1823 -16.1828 -16.1828 -16.0155 -16.0155 -15.9853 -15.9853 -4.7134 -4.7134 -4.5962 -4.5962 2.1893 2.1893 3.1544 3.1544 4.6651 4.6651 4.7389 4.7389 5.2660 5.2660 5.4657 5.4657 7.5807 7.5807 8.4457 8.4457 8.7361 8.7361 10.5546 10.5546 10.5848 10.5848 k = 0.6520 0.1751-0.9216 ( 4521 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1508 -31.1508 -30.3990 -30.3990 -30.1823 -30.1823 -16.1827 -16.1827 -16.0153 -16.0153 -15.9854 -15.9854 -4.7371 -4.7371 -4.5867 -4.5867 2.2078 2.2078 3.1559 3.1559 4.6544 4.6544 4.7388 4.7388 5.2926 5.2926 5.4693 5.4693 7.5775 7.5775 8.4486 8.4486 8.7385 8.7385 10.5493 10.5493 10.5548 10.5548 k = 0.6488 0.1742-0.9003 ( 4515 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1506 -31.1506 -30.3987 -30.3987 -30.1824 -30.1824 -16.1825 -16.1825 -16.0150 -16.0150 -15.9854 -15.9854 -4.7626 -4.7626 -4.5788 -4.5788 2.2313 2.2313 3.1586 3.1586 4.6401 4.6401 4.7386 4.7386 5.3223 5.3223 5.4743 5.4743 7.5754 7.5754 8.4522 8.4522 8.7420 8.7420 10.5159 10.5159 10.5475 10.5475 k = 0.6455 0.1733-0.8790 ( 4518 PWs) bands (ev): -56.7394 -56.7394 -44.1213 -44.1213 -31.1504 -31.1504 -30.3984 -30.3984 -30.1824 -30.1824 -16.1822 -16.1822 -16.0147 -16.0147 -15.9854 -15.9854 -4.7898 -4.7898 -4.5725 -4.5725 2.2597 2.2597 3.1629 3.1629 4.6228 4.6228 4.7382 4.7382 5.3544 5.3544 5.4808 5.4808 7.5742 7.5742 8.4564 8.4564 8.7465 8.7465 10.4753 10.4753 10.5423 10.5423 k = 0.6423 0.1725-0.8576 ( 4518 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1501 -31.1501 -30.3980 -30.3980 -30.1824 -30.1824 -16.1819 -16.1819 -16.0143 -16.0143 -15.9855 -15.9855 -4.8185 -4.8185 -4.5678 -4.5678 2.2927 2.2927 3.1689 3.1689 4.6029 4.6029 4.7377 4.7377 5.3881 5.3881 5.4892 5.4892 7.5739 7.5739 8.4610 8.4610 8.7519 8.7519 10.4308 10.4308 10.5364 10.5364 k = 0.6391 0.1716-0.8363 ( 4514 PWs) bands (ev): -56.7395 -56.7395 -44.1214 -44.1214 -31.1498 -31.1498 -30.3976 -30.3976 -30.1824 -30.1824 -16.1816 -16.1816 -16.0139 -16.0139 -15.9855 -15.9855 -4.8486 -4.8486 -4.5646 -4.5646 2.3298 2.3298 3.1768 3.1768 4.5808 4.5808 4.7369 4.7369 5.4220 5.4220 5.5005 5.5005 7.5746 7.5746 8.4662 8.4662 8.7581 8.7581 10.3830 10.3830 10.5297 10.5297 k = 0.6358 0.1707-0.8149 ( 4513 PWs) bands (ev): -56.7396 -56.7396 -44.1214 -44.1214 -31.1495 -31.1495 -30.3972 -30.3972 -30.1824 -30.1824 -16.1813 -16.1813 -16.0134 -16.0134 -15.9855 -15.9855 -4.8802 -4.8802 -4.5629 -4.5629 2.3708 2.3708 3.1869 3.1869 4.5571 4.5571 4.7358 4.7358 5.4542 5.4542 5.5163 5.5163 7.5762 7.5762 8.4717 8.4717 8.7649 8.7649 10.3327 10.3327 10.5224 10.5224 k = 0.6326 0.1699-0.7936 ( 4509 PWs) bands (ev): -56.7396 -56.7396 -44.1215 -44.1215 -31.1492 -31.1492 -30.3967 -30.3967 -30.1824 -30.1824 -16.1809 -16.1809 -16.0129 -16.0129 -15.9856 -15.9856 -4.9130 -4.9130 -4.5626 -4.5626 2.4151 2.4151 3.1992 3.1992 4.5321 4.5321 4.7343 4.7343 5.4816 5.4816 5.5392 5.5392 7.5786 7.5786 8.4775 8.4775 8.7724 8.7724 10.2805 10.2805 10.5143 10.5143 k = 0.6294 0.1690-0.7723 ( 4502 PWs) bands (ev): -56.7397 -56.7397 -44.1215 -44.1215 -31.1488 -31.1488 -30.3961 -30.3961 -30.1824 -30.1824 -16.1804 -16.1804 -16.0123 -16.0123 -15.9856 -15.9856 -4.9470 -4.9470 -4.5635 -4.5635 2.4624 2.4624 3.2141 3.2141 4.5063 4.5063 4.7323 4.7323 5.5034 5.5034 5.5701 5.5701 7.5819 7.5819 8.4836 8.4836 8.7803 8.7803 10.2270 10.2270 10.5058 10.5058 k = 0.6261 0.1681-0.7509 ( 4506 PWs) bands (ev): -56.7397 -56.7397 -44.1216 -44.1216 -31.1484 -31.1484 -30.3955 -30.3955 -30.1824 -30.1824 -16.1800 -16.1800 -16.0117 -16.0117 -15.9857 -15.9857 -4.9821 -4.9821 -4.5657 -4.5657 2.5119 2.5119 3.2316 3.2316 4.4802 4.4802 4.7298 4.7298 5.5221 5.5221 5.6059 5.6059 7.5862 7.5862 8.4898 8.4898 8.7884 8.7884 10.1728 10.1728 10.4967 10.4967 k = 0.6229 0.1673-0.7296 ( 4508 PWs) bands (ev): -56.7398 -56.7398 -44.1216 -44.1216 -31.1480 -31.1480 -30.3949 -30.3949 -30.1824 -30.1824 -16.1795 -16.1795 -16.0111 -16.0111 -15.9858 -15.9858 -5.0181 -5.0181 -4.5690 -4.5690 2.5632 2.5632 3.2520 3.2520 4.4544 4.4544 4.7267 4.7267 5.5402 5.5402 5.6438 5.6438 7.5913 7.5913 8.4960 8.4960 8.7968 8.7968 10.1185 10.1185 10.4873 10.4873 k = 0.6197 0.1664-0.7083 ( 4508 PWs) bands (ev): -56.7399 -56.7399 -44.1217 -44.1217 -31.1475 -31.1475 -30.3943 -30.3943 -30.1825 -30.1825 -16.1791 -16.1791 -16.0104 -16.0104 -15.9858 -15.9858 -5.0549 -5.0549 -4.5733 -4.5733 2.6156 2.6156 3.2753 3.2753 4.4295 4.4295 4.7230 4.7230 5.5589 5.5589 5.6823 5.6823 7.5974 7.5974 8.5021 8.5021 8.8054 8.8054 10.0646 10.0646 10.4775 10.4775 k = 0.6164 0.1655-0.6869 ( 4504 PWs) bands (ev): -56.7400 -56.7400 -44.1217 -44.1217 -31.1470 -31.1470 -30.3936 -30.3936 -30.1825 -30.1825 -16.1785 -16.1785 -16.0097 -16.0097 -15.9859 -15.9859 -5.0925 -5.0925 -4.5786 -4.5786 2.6686 2.6686 3.3013 3.3013 4.4064 4.4064 4.7186 4.7186 5.5789 5.5789 5.7204 5.7204 7.6046 7.6046 8.5079 8.5079 8.8141 8.8141 10.0117 10.0117 10.4676 10.4676 k = 0.6132 0.1646-0.6656 ( 4515 PWs) bands (ev): -56.7400 -56.7400 -44.1218 -44.1218 -31.1466 -31.1466 -30.3929 -30.3929 -30.1825 -30.1825 -16.1780 -16.1780 -16.0090 -16.0090 -15.9860 -15.9860 -5.1306 -5.1306 -4.5848 -4.5848 2.7214 2.7214 3.3296 3.3296 4.3861 4.3861 4.7136 4.7136 5.6003 5.6003 5.7574 5.7574 7.6129 7.6129 8.5134 8.5134 8.8227 8.8227 9.9602 9.9602 10.4576 10.4576 k = 0.6100 0.1638-0.6442 ( 4515 PWs) bands (ev): -56.7401 -56.7401 -44.1219 -44.1219 -31.1461 -31.1461 -30.3921 -30.3921 -30.1826 -30.1826 -16.1775 -16.1775 -16.0082 -16.0082 -15.9861 -15.9861 -5.1691 -5.1691 -4.5917 -4.5917 2.7737 2.7737 3.3597 3.3597 4.3697 4.3697 4.7079 4.7079 5.6234 5.6234 5.7925 5.7925 7.6223 7.6223 8.5183 8.5183 8.8315 8.8315 9.9106 9.9106 10.4477 10.4477 k = 0.6067 0.1629-0.6229 ( 4515 PWs) bands (ev): -56.7402 -56.7402 -44.1219 -44.1219 -31.1455 -31.1455 -30.3914 -30.3914 -30.1826 -30.1826 -16.1769 -16.1769 -16.0073 -16.0073 -15.9861 -15.9861 -5.2080 -5.2080 -4.5994 -4.5994 2.8251 2.8251 3.3904 3.3904 4.3588 4.3588 4.7015 4.7015 5.6481 5.6481 5.8253 5.8253 7.6330 7.6330 8.5225 8.5225 8.8403 8.8403 9.8633 9.8633 10.4380 10.4380 k = 0.6035 0.1620-0.6016 ( 4517 PWs) bands (ev): -56.7403 -56.7403 -44.1220 -44.1220 -31.1450 -31.1450 -30.3906 -30.3906 -30.1826 -30.1826 -16.1764 -16.1764 -16.0065 -16.0065 -15.9862 -15.9862 -5.2471 -5.2471 -4.6077 -4.6077 2.8752 2.8752 3.4204 3.4204 4.3549 4.3549 4.6945 4.6945 5.6746 5.6746 5.8553 5.8553 7.6450 7.6450 8.5258 8.5258 8.8492 8.8492 9.8186 9.8186 10.4287 10.4287 k = 0.6002 0.1612-0.5802 ( 4513 PWs) bands (ev): -56.7404 -56.7404 -44.1221 -44.1221 -31.1444 -31.1444 -30.3898 -30.3898 -30.1826 -30.1826 -16.1758 -16.1758 -16.0056 -16.0056 -15.9863 -15.9863 -5.2863 -5.2863 -4.6166 -4.6166 2.9242 2.9242 3.4480 3.4480 4.3600 4.3600 4.6869 4.6869 5.7029 5.7029 5.8818 5.8818 7.6584 7.6584 8.5280 8.5280 8.8584 8.8584 9.7771 9.7771 10.4199 10.4199 k = 0.5970 0.1603-0.5589 ( 4519 PWs) bands (ev): -56.7405 -56.7405 -44.1222 -44.1222 -31.1439 -31.1439 -30.3889 -30.3889 -30.1827 -30.1827 -16.1752 -16.1752 -16.0047 -16.0047 -15.9863 -15.9863 -5.3254 -5.3254 -4.6260 -4.6260 2.9719 2.9719 3.4712 3.4712 4.3756 4.3756 4.6788 4.6788 5.7328 5.7328 5.9045 5.9045 7.6731 7.6731 8.5289 8.5289 8.8677 8.8677 9.7389 9.7389 10.4119 10.4119 k = 0.5938 0.1594-0.5376 ( 4523 PWs) bands (ev): -56.7406 -56.7406 -44.1222 -44.1222 -31.1433 -31.1433 -30.3881 -30.3881 -30.1827 -30.1827 -16.1747 -16.1747 -16.0038 -16.0038 -15.9864 -15.9864 -5.3643 -5.3643 -4.6357 -4.6357 3.0187 3.0187 3.4885 3.4885 4.4032 4.4032 4.6702 4.6702 5.7645 5.7645 5.9229 5.9229 7.6891 7.6891 8.5283 8.5283 8.8773 8.8773 9.7044 9.7044 10.4047 10.4047 k = 0.5905 0.1586-0.5162 ( 4525 PWs) bands (ev): -56.7407 -56.7407 -44.1223 -44.1223 -31.1427 -31.1427 -30.3873 -30.3873 -30.1827 -30.1827 -16.1741 -16.1741 -16.0029 -16.0029 -15.9865 -15.9865 -5.4029 -5.4029 -4.6459 -4.6459 3.0647 3.0647 3.4989 3.4989 4.4434 4.4434 4.6611 4.6611 5.7976 5.7976 5.9368 5.9368 7.7062 7.7062 8.5260 8.5260 8.8872 8.8872 9.6741 9.6741 10.3986 10.3986 k = 0.5873 0.1577-0.4949 ( 4523 PWs) bands (ev): -56.7408 -56.7408 -44.1224 -44.1224 -31.1421 -31.1421 -30.3864 -30.3864 -30.1827 -30.1827 -16.1735 -16.1735 -16.0019 -16.0019 -15.9866 -15.9866 -5.4412 -5.4412 -4.6563 -4.6563 3.1102 3.1102 3.5021 3.5021 4.4962 4.4962 4.6517 4.6517 5.8320 5.8320 5.9462 5.9462 7.7243 7.7243 8.5218 8.5218 8.8974 8.8974 9.6484 9.6484 10.3937 10.3937 k = 0.5841 0.1568-0.4735 ( 4530 PWs) bands (ev): -56.7409 -56.7409 -44.1225 -44.1225 -31.1416 -31.1416 -30.3855 -30.3855 -30.1828 -30.1828 -16.1729 -16.1729 -16.0010 -16.0010 -15.9866 -15.9866 -5.4789 -5.4789 -4.6669 -4.6669 3.1555 3.1555 3.4987 3.4987 4.5605 4.5605 4.6421 4.6421 5.8670 5.8670 5.9514 5.9514 7.7431 7.7431 8.5156 8.5156 8.9075 8.9075 9.6277 9.6277 10.3901 10.3901 k = 0.5808 0.1560-0.4522 ( 4526 PWs) bands (ev): -56.7410 -56.7410 -44.1225 -44.1225 -31.1410 -31.1410 -30.3847 -30.3847 -30.1828 -30.1828 -16.1724 -16.1724 -16.0001 -16.0001 -15.9867 -15.9867 -5.5160 -5.5160 -4.6776 -4.6776 3.2008 3.2008 3.4896 3.4896 4.6261 4.6261 4.6415 4.6415 5.8997 5.8997 5.9550 5.9550 7.7625 7.7625 8.5071 8.5071 8.9175 8.9175 9.6127 9.6127 10.3881 10.3881 k = 0.5776 0.1551-0.4309 ( 4528 PWs) bands (ev): -56.7411 -56.7411 -44.1226 -44.1226 -31.1404 -31.1404 -30.3838 -30.3838 -30.1828 -30.1828 -16.1718 -16.1718 -15.9991 -15.9991 -15.9867 -15.9867 -5.5524 -5.5524 -4.6885 -4.6885 3.2461 3.2461 3.4761 3.4761 4.6205 4.6205 4.7208 4.7208 5.9184 5.9184 5.9689 5.9689 7.7819 7.7819 8.4963 8.4963 8.9267 8.9267 9.6037 9.6037 10.3876 10.3876 k = 0.5744 0.1542-0.4095 ( 4522 PWs) bands (ev): -56.7411 -56.7411 -44.1227 -44.1227 -31.1398 -31.1398 -30.3829 -30.3829 -30.1828 -30.1828 -16.1712 -16.1712 -15.9981 -15.9981 -15.9868 -15.9868 -5.5880 -5.5880 -4.6993 -4.6993 3.2912 3.2912 3.4597 3.4597 4.6103 4.6103 4.8121 4.8121 5.9147 5.9147 6.0015 6.0015 7.8012 7.8012 8.4829 8.4829 8.9348 8.9348 9.6016 9.6016 10.3889 10.3889 k = 0.5711 0.1534-0.3882 ( 4516 PWs) bands (ev): -56.7412 -56.7412 -44.1228 -44.1228 -31.1392 -31.1392 -30.3821 -30.3821 -30.1828 -30.1828 -16.1707 -16.1707 -15.9972 -15.9972 -15.9868 -15.9868 -5.6227 -5.6227 -4.7102 -4.7102 3.3347 3.3347 3.4429 3.4429 4.5999 4.5999 4.9098 4.9098 5.8996 5.8996 6.0416 6.0416 7.8200 7.8200 8.4670 8.4670 8.9411 8.9411 9.6067 9.6067 10.3919 10.3919 k = 0.5679 0.1525-0.3669 ( 4520 PWs) bands (ev): -56.7413 -56.7413 -44.1228 -44.1228 -31.1387 -31.1387 -30.3812 -30.3812 -30.1828 -30.1828 -16.1702 -16.1702 -15.9962 -15.9962 -15.9868 -15.9868 -5.6565 -5.6565 -4.7209 -4.7209 3.3687 3.3687 3.4345 3.4345 4.5894 4.5894 5.0126 5.0126 5.8780 5.8780 6.0847 6.0847 7.8380 7.8380 8.4484 8.4484 8.9451 8.9451 9.6197 9.6197 10.3966 10.3966 k = 0.5647 0.1516-0.3455 ( 4517 PWs) bands (ev): -56.7414 -56.7414 -44.1229 -44.1229 -31.1381 -31.1381 -30.3804 -30.3804 -30.1828 -30.1828 -16.1696 -16.1696 -15.9953 -15.9953 -15.9868 -15.9868 -5.6891 -5.6891 -4.7316 -4.7316 3.3714 3.3714 3.4571 3.4571 4.5789 4.5789 5.1195 5.1195 5.8512 5.8512 6.1295 6.1295 7.8549 7.8549 8.4272 8.4272 8.9462 8.9462 9.6407 9.6407 10.4031 10.4031 k = 0.5614 0.1508-0.3242 ( 4518 PWs) bands (ev): -56.7415 -56.7415 -44.1230 -44.1230 -31.1376 -31.1376 -30.3796 -30.3796 -30.1828 -30.1828 -16.1691 -16.1691 -15.9944 -15.9944 -15.9869 -15.9869 -5.7207 -5.7207 -4.7420 -4.7420 3.3536 3.3536 3.5006 3.5006 4.5685 4.5685 5.2295 5.2295 5.8197 5.8197 6.1758 6.1758 7.8705 7.8705 8.4033 8.4033 8.9442 8.9442 9.6696 9.6696 10.4112 10.4112 k = 0.5582 0.1499-0.3028 ( 4520 PWs) bands (ev): -56.7416 -56.7416 -44.1231 -44.1231 -31.1370 -31.1370 -30.3788 -30.3788 -30.1828 -30.1828 -16.1687 -16.1687 -15.9936 -15.9936 -15.9869 -15.9869 -5.7510 -5.7510 -4.7522 -4.7522 3.3311 3.3311 3.5495 3.5495 4.5583 4.5583 5.3417 5.3417 5.7843 5.7843 6.2232 6.2232 7.8846 7.8846 8.3768 8.3768 8.9390 8.9390 9.7063 9.7063 10.4210 10.4210 k = 0.5550 0.1490-0.2815 ( 4523 PWs) bands (ev): -56.7417 -56.7417 -44.1231 -44.1231 -31.1365 -31.1365 -30.3781 -30.3781 -30.1828 -30.1828 -16.1682 -16.1682 -15.9927 -15.9927 -15.9869 -15.9869 -5.7800 -5.7800 -4.7621 -4.7621 3.3075 3.3075 3.6008 3.6008 4.5483 4.5483 5.4552 5.4552 5.7454 5.7454 6.2715 6.2715 7.8969 7.8969 8.3479 8.3479 8.9307 8.9307 9.7501 9.7501 10.4321 10.4321 k = 0.5517 0.1481-0.2602 ( 4523 PWs) bands (ev): -56.7418 -56.7418 -44.1232 -44.1232 -31.1361 -31.1361 -30.3773 -30.3773 -30.1828 -30.1828 -16.1678 -16.1678 -15.9920 -15.9920 -15.9869 -15.9869 -5.8077 -5.8077 -4.7717 -4.7717 3.2839 3.2839 3.6537 3.6537 4.5386 4.5386 5.5675 5.5675 5.7054 5.7054 6.3208 6.3208 7.9073 7.9073 8.3166 8.3166 8.9196 8.9196 9.8002 9.8002 10.4446 10.4446 k = 0.5485 0.1473-0.2388 ( 4531 PWs) bands (ev): -56.7418 -56.7418 -44.1233 -44.1233 -31.1356 -31.1356 -30.3767 -30.3767 -30.1829 -30.1829 -16.1674 -16.1674 -15.9912 -15.9912 -15.9868 -15.9868 -5.8340 -5.8340 -4.7809 -4.7809 3.2606 3.2606 3.7078 3.7078 4.5292 4.5292 5.6381 5.6381 5.7044 5.7044 6.3706 6.3706 7.9158 7.9158 8.2831 8.2831 8.9058 8.9058 9.8557 9.8557 10.4582 10.4582 k = 0.5453 0.1464-0.2175 ( 4531 PWs) bands (ev): -56.7419 -56.7419 -44.1233 -44.1233 -31.1352 -31.1352 -30.3760 -30.3760 -30.1829 -30.1829 -16.1670 -16.1670 -15.9906 -15.9906 -15.9867 -15.9867 -5.8589 -5.8589 -4.7897 -4.7897 3.2381 3.2381 3.7630 3.7630 4.5202 4.5202 5.6003 5.6003 5.8089 5.8089 6.4210 6.4210 7.9222 7.9222 8.2478 8.2478 8.8897 8.8897 9.9158 9.9158 10.4726 10.4726 k = 0.5420 0.1455-0.1962 ( 4519 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1347 -31.1347 -30.3753 -30.3753 -30.1828 -30.1828 -16.1666 -16.1666 -15.9899 -15.9899 -15.9866 -15.9866 -5.8822 -5.8822 -4.7980 -4.7980 3.2166 3.2166 3.8191 3.8191 4.5117 4.5117 5.5505 5.5505 5.9223 5.9223 6.4716 6.4716 7.9264 7.9264 8.2107 8.2107 8.8719 8.8719 9.9795 9.9795 10.4877 10.4877 k = 0.5388 0.1447-0.1748 ( 4515 PWs) bands (ev): -56.7420 -56.7420 -44.1234 -44.1234 -31.1343 -31.1343 -30.3747 -30.3747 -30.1828 -30.1828 -16.1662 -16.1662 -15.9894 -15.9894 -15.9864 -15.9864 -5.9040 -5.9040 -4.8059 -4.8059 3.1961 3.1961 3.8761 3.8761 4.5036 4.5036 5.4976 5.4976 6.0355 6.0355 6.5223 6.5223 7.9281 7.9281 8.1722 8.1722 8.8525 8.8525 10.0457 10.0457 10.5032 10.5032 k = 0.5356 0.1438-0.1535 ( 4518 PWs) bands (ev): -56.7421 -56.7421 -44.1235 -44.1235 -31.1339 -31.1339 -30.3742 -30.3742 -30.1828 -30.1828 -16.1659 -16.1659 -15.9891 -15.9891 -15.9861 -15.9861 -5.9242 -5.9242 -4.8133 -4.8133 3.1769 3.1769 3.9338 3.9338 4.4960 4.4960 5.4427 5.4427 6.1468 6.1468 6.5728 6.5728 7.9273 7.9273 8.1326 8.1326 8.8321 8.8321 10.1135 10.1135 10.5188 10.5188 k = 0.5323 0.1429-0.1321 ( 4510 PWs) bands (ev): -56.7422 -56.7422 -44.1235 -44.1235 -31.1336 -31.1336 -30.3736 -30.3736 -30.1828 -30.1828 -16.1656 -16.1656 -15.9887 -15.9887 -15.9858 -15.9858 -5.9428 -5.9428 -4.8201 -4.8201 3.1591 3.1591 3.9921 3.9921 4.4890 4.4890 5.3864 5.3864 6.2556 6.2556 6.6228 6.6228 7.9239 7.9239 8.0923 8.0923 8.8111 8.8111 10.1817 10.1817 10.5342 10.5342 k = 0.5291 0.1421-0.1108 ( 4515 PWs) bands (ev): -56.7422 -56.7422 -44.1236 -44.1236 -31.1333 -31.1333 -30.3731 -30.3731 -30.1828 -30.1828 -16.1654 -16.1654 -15.9886 -15.9886 -15.9855 -15.9855 -5.9597 -5.9597 -4.8263 -4.8263 3.1428 3.1428 4.0505 4.0505 4.4825 4.4825 5.3290 5.3290 6.3609 6.3609 6.6721 6.6721 7.9176 7.9176 8.0519 8.0519 8.7898 8.7898 10.2494 10.2494 10.5492 10.5492 k = 0.5259 0.1412-0.0895 ( 4519 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1330 -31.1330 -30.3727 -30.3727 -30.1828 -30.1828 -16.1651 -16.1651 -15.9884 -15.9884 -15.9851 -15.9851 -5.9750 -5.9750 -4.8320 -4.8320 3.1280 3.1280 4.1090 4.1090 4.4766 4.4766 5.2711 5.2711 6.4616 6.4616 6.7200 6.7200 7.9085 7.9085 8.0117 8.0117 8.7689 8.7689 10.3153 10.3153 10.5635 10.5635 k = 0.5226 0.1403-0.0681 ( 4518 PWs) bands (ev): -56.7423 -56.7423 -44.1236 -44.1236 -31.1327 -31.1327 -30.3724 -30.3724 -30.1828 -30.1828 -16.1649 -16.1649 -15.9883 -15.9883 -15.9848 -15.9848 -5.9884 -5.9884 -4.8370 -4.8370 3.1148 3.1148 4.1670 4.1670 4.4714 4.4714 5.2133 5.2133 6.5567 6.5567 6.7664 6.7664 7.8968 7.8968 7.9726 7.9726 8.7490 8.7490 10.3782 10.3782 10.5768 10.5768 k = 0.5194 0.1395-0.0468 ( 4516 PWs) bands (ev): -56.7423 -56.7423 -44.1237 -44.1237 -31.1325 -31.1325 -30.3720 -30.3720 -30.1828 -30.1828 -16.1647 -16.1647 -15.9883 -15.9883 -15.9844 -15.9844 -6.0002 -6.0002 -4.8415 -4.8415 3.1033 3.1033 4.2240 4.2240 4.4670 4.4670 5.1562 5.1562 6.6446 6.6446 6.8105 6.8105 7.8826 7.8826 7.9352 7.9352 8.7303 8.7303 10.4369 10.4369 10.5890 10.5890 k = 0.5162 0.1386-0.0254 ( 4526 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1324 -31.1324 -30.3718 -30.3718 -30.1828 -30.1828 -16.1646 -16.1646 -15.9882 -15.9882 -15.9842 -15.9842 -6.0102 -6.0102 -4.8452 -4.8452 3.0935 3.0935 4.2791 4.2791 4.4632 4.4632 5.1007 5.1007 6.7236 6.7236 6.8520 6.8520 7.8665 7.8665 7.9005 7.9005 8.7136 8.7136 10.4900 10.4900 10.5997 10.5997 k = 0.5129 0.1377-0.0041 ( 4526 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1322 -31.1322 -30.3715 -30.3715 -30.1828 -30.1828 -16.1645 -16.1645 -15.9882 -15.9882 -15.9839 -15.9839 -6.0183 -6.0183 -4.8483 -4.8483 3.0854 3.0854 4.3309 4.3309 4.4603 4.4603 5.0483 5.0483 6.7911 6.7911 6.8904 6.8904 7.8497 7.8497 7.8695 7.8695 8.6993 8.6993 10.5359 10.5359 10.6089 10.6089 k = 0.5097 0.1369 0.0172 ( 4534 PWs) bands (ev): -56.7424 -56.7424 -44.1237 -44.1237 -31.1321 -31.1321 -30.3714 -30.3714 -30.1828 -30.1828 -16.1644 -16.1644 -15.9882 -15.9882 -15.9838 -15.9838 -6.0247 -6.0247 -4.8507 -4.8507 3.0791 3.0791 4.3773 4.3773 4.4584 4.4584 5.0010 5.0010 6.8445 6.8445 6.9252 6.9252 7.8334 7.8334 7.8435 7.8435 8.6877 8.6877 10.5733 10.5733 10.6165 10.6165 k = 0.5065 0.1360 0.0386 ( 4539 PWs) bands (ev): -56.7424 -56.7424 -44.1238 -44.1238 -31.1320 -31.1320 -30.3713 -30.3713 -30.1828 -30.1828 -16.1644 -16.1644 -15.9882 -15.9882 -15.9837 -15.9837 -6.0293 -6.0293 -4.8525 -4.8525 3.0745 3.0745 4.4143 4.4143 4.4583 4.4583 4.9619 4.9619 6.8819 6.8819 6.9545 6.9545 7.8193 7.8193 7.8240 7.8240 8.6792 8.6792 10.6003 10.6003 10.6227 10.6227 k = 0.5032 0.1351 0.0599 ( 4537 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3712 -30.3712 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0320 -6.0320 -4.8535 -4.8535 3.0718 3.0718 4.4361 4.4361 4.4619 4.4619 4.9353 4.9353 6.9034 6.9034 6.9747 6.9747 7.8091 7.8091 7.8125 7.8125 8.6741 8.6741 10.6151 10.6151 10.6283 10.6283 k = 0.5000 0.1343 0.0812 ( 4538 PWs) bands (ev): -56.7425 -56.7425 -44.1238 -44.1238 -31.1320 -31.1320 -30.3711 -30.3711 -30.1828 -30.1828 -16.1643 -16.1643 -15.9882 -15.9882 -15.9836 -15.9836 -6.0329 -6.0329 -4.8539 -4.8539 3.0709 3.0709 4.4414 4.4414 4.4656 4.4656 4.9258 4.9258 6.9104 6.9104 6.9820 6.9820 7.8052 7.8052 7.8089 7.8089 8.6723 8.6723 10.6190 10.6190 10.6313 10.6313 k = 0.5000-0.8639-0.5228 ( 4522 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6553 -4.6553 -4.6363 -4.6363 2.2983 2.2983 3.2780 3.2780 4.3758 4.3758 4.7171 4.7171 4.9954 4.9954 5.4876 5.4876 7.7328 7.7328 8.4395 8.4395 8.7312 8.7312 10.4082 10.4082 10.4894 10.4894 k = 0.5186-0.8560-0.5180 ( 4525 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6556 -4.6556 -4.6360 -4.6360 2.2976 2.2976 3.2772 3.2772 4.3775 4.3775 4.7172 4.7172 4.9967 4.9967 5.4874 5.4874 7.7321 7.7321 8.4395 8.4395 8.7312 8.7312 10.4088 10.4088 10.4897 10.4897 k = 0.5373-0.8481-0.5132 ( 4525 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6565 -4.6565 -4.6352 -4.6352 2.2953 2.2953 3.2749 3.2749 4.3827 4.3827 4.7175 4.7175 5.0004 5.0004 5.4870 5.4870 7.7300 7.7300 8.4396 8.4396 8.7312 8.7312 10.4109 10.4109 10.4907 10.4907 k = 0.5559-0.8402-0.5084 ( 4528 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6579 -4.6579 -4.6339 -4.6339 2.2916 2.2916 3.2712 3.2712 4.3913 4.3913 4.7180 4.7180 5.0065 5.0065 5.4863 5.4863 7.7264 7.7264 8.4397 8.4397 8.7312 8.7312 10.4143 10.4143 10.4924 10.4924 k = 0.5746-0.8323-0.5037 ( 4529 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9853 -15.9853 -4.6596 -4.6596 -4.6323 -4.6323 2.2866 2.2866 3.2661 3.2661 4.4029 4.4029 4.7187 4.7187 5.0150 5.0150 5.4854 5.4854 7.7215 7.7215 8.4398 8.4398 8.7313 8.7313 10.4192 10.4192 10.4948 10.4948 k = 0.5932-0.8244-0.4989 ( 4532 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1824 -30.1824 -16.1832 -16.1832 -16.0159 -16.0159 -15.9853 -15.9853 -4.6616 -4.6616 -4.6305 -4.6305 2.2804 2.2804 3.2598 3.2598 4.4174 4.4174 4.7195 4.7195 5.0257 5.0257 5.4842 5.4842 7.7152 7.7152 8.4399 8.4399 8.7314 8.7314 10.4255 10.4255 10.4977 10.4977 k = 0.6119-0.8165-0.4941 ( 4536 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3996 -30.3996 -30.1824 -30.1824 -16.1832 -16.1832 -16.0159 -16.0159 -15.9854 -15.9854 -4.6637 -4.6637 -4.6286 -4.6286 2.2731 2.2731 3.2525 3.2525 4.4345 4.4345 4.7205 4.7205 5.0384 5.0384 5.4828 5.4828 7.7077 7.7077 8.4401 8.4401 8.7315 8.7315 10.4332 10.4332 10.5012 10.5012 k = 0.6305-0.8086-0.4893 ( 4536 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0159 -16.0159 -15.9854 -15.9854 -4.6658 -4.6658 -4.6267 -4.6267 2.2649 2.2649 3.2443 3.2443 4.4536 4.4536 4.7217 4.7217 5.0530 5.0530 5.4812 5.4812 7.6991 7.6991 8.4404 8.4404 8.7316 8.7316 10.4423 10.4423 10.5053 10.5053 k = 0.6491-0.8007-0.4845 ( 4542 PWs) bands (ev): -56.7393 -56.7393 -44.1213 -44.1213 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1832 -16.1832 -16.0159 -16.0159 -15.9854 -15.9854 -4.6681 -4.6681 -4.6247 -4.6247 2.2560 2.2560 3.2354 3.2354 4.4745 4.4745 4.7230 4.7230 5.0693 5.0693 5.4794 5.4794 7.6894 7.6894 8.4406 8.4406 8.7318 8.7318 10.4529 10.4529 10.5097 10.5097 k = 0.6678-0.7928-0.4798 ( 4536 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1512 -31.1512 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6705 -4.6705 -4.6227 -4.6227 2.2465 2.2465 3.2261 3.2261 4.4967 4.4967 4.7245 4.7245 5.0871 5.0871 5.4776 5.4776 7.6789 7.6789 8.4409 8.4409 8.7320 8.7320 10.4649 10.4649 10.5147 10.5147 k = 0.6864-0.7850-0.4750 ( 4531 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6729 -4.6729 -4.6207 -4.6207 2.2368 2.2368 3.2165 3.2165 4.5198 4.5198 4.7260 4.7260 5.1059 5.1059 5.4756 5.4756 7.6676 7.6676 8.4412 8.4412 8.7322 8.7322 10.4784 10.4784 10.5199 10.5199 k = 0.7051-0.7771-0.4702 ( 4523 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1823 -30.1823 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6754 -4.6754 -4.6187 -4.6187 2.2270 2.2270 3.2068 3.2068 4.5433 4.5433 4.7277 4.7277 5.1257 5.1257 5.4736 5.4736 7.6558 7.6558 8.4415 8.4415 8.7325 8.7325 10.4933 10.4933 10.5254 10.5254 k = 0.7237-0.7692-0.4654 ( 4525 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6779 -4.6779 -4.6168 -4.6168 2.2172 2.2172 3.1971 3.1971 4.5669 4.5669 4.7294 4.7294 5.1460 5.1460 5.4716 5.4716 7.6436 7.6436 8.4418 8.4418 8.7327 8.7327 10.5096 10.5096 10.5311 10.5311 k = 0.7423-0.7613-0.4607 ( 4529 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3995 -30.3995 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9853 -15.9853 -4.6805 -4.6805 -4.6148 -4.6148 2.2078 2.2078 3.1876 3.1876 4.5902 4.5902 4.7311 4.7311 5.1664 5.1664 5.4696 5.4696 7.6311 7.6311 8.4421 8.4421 8.7330 8.7330 10.5267 10.5267 10.5374 10.5374 k = 0.7610-0.7534-0.4559 ( 4533 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1824 -30.1824 -16.1831 -16.1831 -16.0158 -16.0158 -15.9854 -15.9854 -4.6831 -4.6831 -4.6129 -4.6129 2.1987 2.1987 3.1784 3.1784 4.6126 4.6126 4.7329 4.7329 5.1868 5.1868 5.4678 5.4678 7.6188 7.6188 8.4424 8.4424 8.7334 8.7334 10.5400 10.5400 10.5489 10.5489 k = 0.7796-0.7455-0.4511 ( 4529 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1824 -30.1824 -16.1830 -16.1830 -16.0157 -16.0157 -15.9853 -15.9853 -4.6859 -4.6859 -4.6110 -4.6110 2.1903 2.1903 3.1697 3.1697 4.6340 4.6340 4.7348 4.7348 5.2066 5.2066 5.4661 5.4661 7.6068 7.6068 8.4427 8.4427 8.7338 8.7338 10.5466 10.5466 10.5681 10.5681 k = 0.7983-0.7376-0.4463 ( 4523 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1511 -31.1511 -30.3994 -30.3994 -30.1823 -30.1823 -16.1830 -16.1830 -16.0157 -16.0157 -15.9853 -15.9853 -4.6887 -4.6887 -4.6090 -4.6090 2.1827 2.1827 3.1616 3.1616 4.6538 4.6538 4.7368 4.7368 5.2256 5.2256 5.4645 5.4645 7.5954 7.5954 8.4431 8.4431 8.7342 8.7342 10.5521 10.5521 10.5894 10.5894 k = 0.8169-0.7297-0.4415 ( 4514 PWs) bands (ev): -56.7393 -56.7393 -44.1212 -44.1212 -31.1510 -31.1510 -30.3994 -30.3994 -30.1823 -30.1823 -16.1830 -16.1830 -16.0156 -16.0156 -15.9853 -15.9853 -4.6916 -4.6916 -4.6071 -4.6071 2.1761 2.1761 3.1541 3.1541 4.6717 4.6717 4.7388 4.7388 5.2433 5.2433 5.4632 5.4632 7.5848 7.5848 8.4434 8.4434 8.7347 8.7347 10.5571 10.5571 10.6116 10.6116 Writing output data file NaVS2.save init_run : 0.63s CPU 0.85s WALL ( 1 calls) electrons : 177.62s CPU 179.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 177.61s CPU 179.50s 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 0.02s WALL ( 1 calls) newd : 0.13s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.06s WALL ( 338 calls) cegterg : 159.08s CPU 160.41s WALL ( 338 calls) Called by sum_band: Called by *egterg: h_psi : 138.24s CPU 139.62s WALL ( 4795 calls) s_psi : 3.12s CPU 2.99s WALL ( 4795 calls) g_psi : 0.16s CPU 0.18s WALL ( 4119 calls) cdiaghg : 23.62s CPU 23.81s WALL ( 4457 calls) cegterg:over : 3.71s CPU 3.75s WALL ( 4119 calls) cegterg:upda : 3.24s CPU 3.37s WALL ( 4119 calls) cegterg:last : 1.80s CPU 1.79s WALL ( 1014 calls) cdiaghg:chol : 1.26s CPU 1.42s WALL ( 4457 calls) cdiaghg:inve : 0.78s CPU 0.75s WALL ( 4457 calls) cdiaghg:para : 1.37s CPU 1.36s WALL ( 8914 calls) Called by h_psi: h_psi:vloc : 130.99s CPU 132.17s WALL ( 4795 calls) h_psi:vnl : 7.13s CPU 7.28s WALL ( 4795 calls) add_vuspsi : 3.62s CPU 3.57s WALL ( 4795 calls) General routines calbec : 3.48s CPU 3.69s WALL ( 4795 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 116.22s CPU 117.44s WALL ( 555460 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.24s WALL ( 676 calls) Parallel routines fft_scatter : 26.86s CPU 27.90s WALL ( 555483 calls) PWSCF : 3m13.22s CPU 3m39.40s WALL This run was terminated on: 21: 7:26 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=