Program PWSCF v.5.4.0 starts on 21Mar2017 at 23:10:46 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Li5NCl2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 57 15 1461 1461 215 Max 58 58 16 1463 1463 219 Sum 4107 4107 1147 105285 105285 15691 bravais-lattice index = 14 lattice parameter (alat) = 18.4012 a.u. unit-cell volume = 744.5501 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.401216 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.929324 celldm(5)= 0.929324 celldm(6)= 0.929324 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.929324 0.369266 0.000000 ) a(3) = ( 0.929324 0.177870 0.323605 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.516677 -1.488494 ) b(2) = ( 0.000000 2.708073 -1.488494 ) b(3) = ( 0.000000 0.000000 3.090190 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0100000 -0.0251668 -0.0148849), wk = 0.0031646 k( 3) = ( 0.0200000 -0.0503335 -0.0297699), wk = 0.0031646 k( 4) = ( 0.0300000 -0.0755003 -0.0446548), wk = 0.0031646 k( 5) = ( 0.0400000 -0.1006671 -0.0595398), wk = 0.0031646 k( 6) = ( 0.0500000 -0.1258338 -0.0744247), wk = 0.0031646 k( 7) = ( 0.0600000 -0.1510006 -0.0893096), wk = 0.0031646 k( 8) = ( 0.0700000 -0.1761674 -0.1041946), wk = 0.0031646 k( 9) = ( 0.0800000 -0.2013341 -0.1190795), wk = 0.0031646 k( 10) = ( 0.0900000 -0.2265009 -0.1339645), wk = 0.0031646 k( 11) = ( 0.1000000 -0.2516677 -0.1488494), wk = 0.0031646 k( 12) = ( 0.1100000 -0.2768344 -0.1637344), wk = 0.0031646 k( 13) = ( 0.1200000 -0.3020012 -0.1786193), wk = 0.0031646 k( 14) = ( 0.1300000 -0.3271680 -0.1935042), wk = 0.0031646 k( 15) = ( 0.1400000 -0.3523347 -0.2083892), wk = 0.0031646 k( 16) = ( 0.1500000 -0.3775015 -0.2232741), wk = 0.0031646 k( 17) = ( 0.1600000 -0.4026683 -0.2381591), wk = 0.0031646 k( 18) = ( 0.1700000 -0.4278350 -0.2530440), wk = 0.0031646 k( 19) = ( 0.1800000 -0.4530018 -0.2679289), wk = 0.0031646 k( 20) = ( 0.1900000 -0.4781685 -0.2828139), wk = 0.0031646 k( 21) = ( 0.2000000 -0.5033353 -0.2976988), wk = 0.0031646 k( 22) = ( 0.2100000 -0.5285021 -0.3125838), wk = 0.0031646 k( 23) = ( 0.2200000 -0.5536688 -0.3274687), wk = 0.0031646 k( 24) = ( 0.2300000 -0.5788356 -0.3423536), wk = 0.0031646 k( 25) = ( 0.2400000 -0.6040024 -0.3572386), wk = 0.0031646 k( 26) = ( 0.2500000 -0.6291691 -0.3721235), wk = 0.0031646 k( 27) = ( 0.2600000 -0.6543359 -0.3870085), wk = 0.0031646 k( 28) = ( 0.2700000 -0.6795027 -0.4018934), wk = 0.0031646 k( 29) = ( 0.2800000 -0.7046694 -0.4167783), wk = 0.0031646 k( 30) = ( 0.2900000 -0.7298362 -0.4316633), wk = 0.0031646 k( 31) = ( 0.3000000 -0.7550030 -0.4465482), wk = 0.0031646 k( 32) = ( 0.3100000 -0.7801697 -0.4614332), wk = 0.0031646 k( 33) = ( 0.3200000 -0.8053365 -0.4763181), wk = 0.0031646 k( 34) = ( 0.3300000 -0.8305033 -0.4912031), wk = 0.0031646 k( 35) = ( 0.3400000 -0.8556700 -0.5060880), wk = 0.0031646 k( 36) = ( 0.3500000 -0.8808368 -0.5209729), wk = 0.0031646 k( 37) = ( 0.3600000 -0.9060036 -0.5358579), wk = 0.0031646 k( 38) = ( 0.3700000 -0.9311703 -0.5507428), wk = 0.0031646 k( 39) = ( 0.3800000 -0.9563371 -0.5656278), wk = 0.0031646 k( 40) = ( 0.3900000 -0.9815039 -0.5805127), wk = 0.0031646 k( 41) = ( 0.4000000 -1.0066706 -0.5953976), wk = 0.0031646 k( 42) = ( 0.4100000 -1.0318374 -0.6102826), wk = 0.0031646 k( 43) = ( 0.4200000 -1.0570042 -0.6251675), wk = 0.0031646 k( 44) = ( 0.4300000 -1.0821709 -0.6400525), wk = 0.0031646 k( 45) = ( 0.4400000 -1.1073377 -0.6549374), wk = 0.0031646 k( 46) = ( 0.4500000 -1.1325045 -0.6698223), wk = 0.0031646 k( 47) = ( 0.4600000 -1.1576712 -0.6847073), wk = 0.0031646 k( 48) = ( 0.4700000 -1.1828380 -0.6995922), wk = 0.0031646 k( 49) = ( 0.4800000 -1.2080048 -0.7144772), wk = 0.0031646 k( 50) = ( 0.4900000 -1.2331715 -0.7293621), wk = 0.0031646 k( 51) = ( 0.5000000 -1.2583383 -0.7442471), wk = 0.0031646 k( 52) = ( 0.5000000 -1.2583383 -0.7442471), wk = 0.0031646 k( 53) = ( 0.5000000 -1.2430588 -0.7700809), wk = 0.0031646 k( 54) = ( 0.5000000 -1.2277794 -0.7959147), wk = 0.0031646 k( 55) = ( 0.5000000 -1.2124999 -0.8217485), wk = 0.0031646 k( 56) = ( 0.5000000 -1.1972204 -0.8475823), wk = 0.0031646 k( 57) = ( 0.5000000 -1.1819410 -0.8734161), wk = 0.0031646 k( 58) = ( 0.5000000 -1.1666615 -0.8992499), wk = 0.0031646 k( 59) = ( 0.5000000 -1.1513820 -0.9250837), wk = 0.0031646 k( 60) = ( 0.5000000 -1.1361026 -0.9509175), wk = 0.0031646 k( 61) = ( 0.5000000 -1.1208231 -0.9767513), wk = 0.0031646 k( 62) = ( 0.5000000 -1.1055436 -1.0025851), wk = 0.0031646 k( 63) = ( 0.5000000 -1.0902642 -1.0284189), wk = 0.0031646 k( 64) = ( 0.5000000 -1.0749847 -1.0542527), wk = 0.0031646 k( 65) = ( 0.5000000 -1.0597053 -1.0800865), wk = 0.0031646 k( 66) = ( 0.5000000 -1.0444258 -1.1059203), wk = 0.0031646 k( 67) = ( 0.5000000 -1.0291463 -1.1317542), wk = 0.0031646 k( 68) = ( 0.5000000 -1.0138668 -1.1575880), wk = 0.0031646 k( 69) = ( 0.5000000 -0.9985874 -1.1834218), wk = 0.0031646 k( 70) = ( 0.5000000 -0.9833079 -1.2092556), wk = 0.0031646 k( 71) = ( 0.5000000 -0.9680284 -1.2350894), wk = 0.0031646 k( 72) = ( 0.5000000 -0.9527490 -1.2609232), wk = 0.0031646 k( 73) = ( 0.5000000 -0.9374695 -1.2867570), wk = 0.0031646 k( 74) = ( 0.5000000 -0.9221901 -1.3125908), wk = 0.0031646 k( 75) = ( 0.5000000 -0.9069106 -1.3384247), wk = 0.0031646 k( 76) = ( 0.5000000 -0.8916311 -1.3642585), wk = 0.0031646 k( 77) = ( 0.5000000 -0.8763517 -1.3900923), wk = 0.0031646 k( 78) = ( 0.5000000 -0.8610722 -1.4159261), wk = 0.0031646 k( 79) = ( 0.5000000 -0.8457927 -1.4417599), wk = 0.0031646 k( 80) = ( 0.5000000 -0.8305133 -1.4675937), wk = 0.0031646 k( 81) = ( 0.5000000 -0.8152338 -1.4934275), wk = 0.0031646 k( 82) = ( 0.5000000 -0.7999543 -1.5192613), wk = 0.0031646 k( 83) = ( 0.5000000 -0.7846749 -1.5450951), wk = 0.0031646 k( 84) = ( 0.8250921 -0.7224533 -1.4318931), wk = 0.0031646 k( 85) = ( 0.8192869 -0.7078434 -1.4053128), wk = 0.0031646 k( 86) = ( 0.8134817 -0.6932336 -1.3787326), wk = 0.0031646 k( 87) = ( 0.8076764 -0.6786238 -1.3521523), wk = 0.0031646 k( 88) = ( 0.8018712 -0.6640139 -1.3255721), wk = 0.0031646 k( 89) = ( 0.7960660 -0.6494041 -1.2989918), wk = 0.0031646 k( 90) = ( 0.7902608 -0.6347942 -1.2724116), wk = 0.0031646 k( 91) = ( 0.7844556 -0.6201844 -1.2458313), wk = 0.0031646 k( 92) = ( 0.7786504 -0.6055745 -1.2192511), wk = 0.0031646 k( 93) = ( 0.7728451 -0.5909646 -1.1926708), wk = 0.0031646 k( 94) = ( 0.7670399 -0.5763548 -1.1660906), wk = 0.0031646 k( 95) = ( 0.7612347 -0.5617449 -1.1395103), wk = 0.0031646 k( 96) = ( 0.7554295 -0.5471351 -1.1129301), wk = 0.0031646 k( 97) = ( 0.7496243 -0.5325252 -1.0863498), wk = 0.0031646 k( 98) = ( 0.7438191 -0.5179154 -1.0597695), wk = 0.0031646 k( 99) = ( 0.7380139 -0.5033055 -1.0331893), wk = 0.0031646 k( 100) = ( 0.7322086 -0.4886957 -1.0066090), wk = 0.0031646 k( 101) = ( 0.7264034 -0.4740858 -0.9800288), wk = 0.0031646 k( 102) = ( 0.7205982 -0.4594760 -0.9534486), wk = 0.0031646 k( 103) = ( 0.7147930 -0.4448661 -0.9268683), wk = 0.0031646 k( 104) = ( 0.7089878 -0.4302563 -0.9002881), wk = 0.0031646 k( 105) = ( 0.7031826 -0.4156464 -0.8737078), wk = 0.0031646 k( 106) = ( 0.6973774 -0.4010366 -0.8471276), wk = 0.0031646 k( 107) = ( 0.6915721 -0.3864267 -0.8205473), wk = 0.0031646 k( 108) = ( 0.6857669 -0.3718169 -0.7939670), wk = 0.0031646 k( 109) = ( 0.6799617 -0.3572070 -0.7673868), wk = 0.0031646 k( 110) = ( 0.6741565 -0.3425972 -0.7408065), wk = 0.0031646 k( 111) = ( 0.6683513 -0.3279873 -0.7142263), wk = 0.0031646 k( 112) = ( 0.6625460 -0.3133775 -0.6876460), wk = 0.0031646 k( 113) = ( 0.6567408 -0.2987676 -0.6610658), wk = 0.0031646 k( 114) = ( 0.6509356 -0.2841578 -0.6344855), wk = 0.0031646 k( 115) = ( 0.6451304 -0.2695479 -0.6079053), wk = 0.0031646 k( 116) = ( 0.6393252 -0.2549381 -0.5813251), wk = 0.0031646 k( 117) = ( 0.6335200 -0.2403282 -0.5547448), wk = 0.0031646 k( 118) = ( 0.6277147 -0.2257184 -0.5281645), wk = 0.0031646 k( 119) = ( 0.6219095 -0.2111085 -0.5015843), wk = 0.0031646 k( 120) = ( 0.6161043 -0.1964987 -0.4750040), wk = 0.0031646 k( 121) = ( 0.6102991 -0.1818888 -0.4484238), wk = 0.0031646 k( 122) = ( 0.6044939 -0.1672790 -0.4218435), wk = 0.0031646 k( 123) = ( 0.5986887 -0.1526691 -0.3952633), wk = 0.0031646 k( 124) = ( 0.5928835 -0.1380593 -0.3686830), wk = 0.0031646 k( 125) = ( 0.5870782 -0.1234494 -0.3421028), wk = 0.0031646 k( 126) = ( 0.5812730 -0.1088395 -0.3155225), wk = 0.0031646 k( 127) = ( 0.5754678 -0.0942297 -0.2889423), wk = 0.0031646 k( 128) = ( 0.5696626 -0.0796198 -0.2623620), wk = 0.0031646 k( 129) = ( 0.5638574 -0.0650100 -0.2357818), wk = 0.0031646 k( 130) = ( 0.5580522 -0.0504001 -0.2092015), wk = 0.0031646 k( 131) = ( 0.5522469 -0.0357903 -0.1826212), wk = 0.0031646 k( 132) = ( 0.5464417 -0.0211805 -0.1560410), wk = 0.0031646 k( 133) = ( 0.5406365 -0.0065706 -0.1294607), wk = 0.0031646 k( 134) = ( 0.5348313 0.0080392 -0.1028805), wk = 0.0031646 k( 135) = ( 0.5290261 0.0226491 -0.0763002), wk = 0.0031646 k( 136) = ( 0.5232209 0.0372590 -0.0497200), wk = 0.0031646 k( 137) = ( 0.5174157 0.0518688 -0.0231397), wk = 0.0031646 k( 138) = ( 0.5116104 0.0664787 0.0034405), wk = 0.0031646 k( 139) = ( 0.5058052 0.0810885 0.0300207), wk = 0.0031646 k( 140) = ( 0.5000000 0.0956984 0.0566010), wk = 0.0031646 k( 141) = ( 0.5000000 0.0956984 0.0566010), wk = 0.0031646 k( 142) = ( 0.4705882 0.0900690 0.0532715), wk = 0.0031646 k( 143) = ( 0.4411765 0.0844397 0.0499421), wk = 0.0031646 k( 144) = ( 0.4117647 0.0788104 0.0466126), wk = 0.0031646 k( 145) = ( 0.3823529 0.0731811 0.0432831), wk = 0.0031646 k( 146) = ( 0.3529412 0.0675518 0.0399537), wk = 0.0031646 k( 147) = ( 0.3235294 0.0619225 0.0366242), wk = 0.0031646 k( 148) = ( 0.2941177 0.0562932 0.0332947), wk = 0.0031646 k( 149) = ( 0.2647059 0.0506638 0.0299652), wk = 0.0031646 k( 150) = ( 0.2352941 0.0450345 0.0266358), wk = 0.0031646 k( 151) = ( 0.2058823 0.0394052 0.0233063), wk = 0.0031646 k( 152) = ( 0.1764706 0.0337759 0.0199768), wk = 0.0031646 k( 153) = ( 0.1470588 0.0281466 0.0166474), wk = 0.0031646 k( 154) = ( 0.1176471 0.0225173 0.0133179), wk = 0.0031646 k( 155) = ( 0.0882353 0.0168879 0.0099884), wk = 0.0031646 k( 156) = ( 0.0588235 0.0112586 0.0066589), wk = 0.0031646 k( 157) = ( 0.0294118 0.0056293 0.0033295), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 160) = ( 0.0058182 -0.0146425 -0.0266396), wk = 0.0031646 k( 161) = ( 0.0116363 -0.0292849 -0.0532791), wk = 0.0031646 k( 162) = ( 0.0174545 -0.0439274 -0.0799187), wk = 0.0031646 k( 163) = ( 0.0232727 -0.0585698 -0.1065583), wk = 0.0031646 k( 164) = ( 0.0290909 -0.0732123 -0.1331979), wk = 0.0031646 k( 165) = ( 0.0349090 -0.0878547 -0.1598374), wk = 0.0031646 k( 166) = ( 0.0407272 -0.1024972 -0.1864770), wk = 0.0031646 k( 167) = ( 0.0465454 -0.1171396 -0.2131166), wk = 0.0031646 k( 168) = ( 0.0523635 -0.1317821 -0.2397561), wk = 0.0031646 k( 169) = ( 0.0581817 -0.1464246 -0.2663957), wk = 0.0031646 k( 170) = ( 0.0639999 -0.1610670 -0.2930353), wk = 0.0031646 k( 171) = ( 0.0698181 -0.1757095 -0.3196749), wk = 0.0031646 k( 172) = ( 0.0756362 -0.1903519 -0.3463144), wk = 0.0031646 k( 173) = ( 0.0814544 -0.2049944 -0.3729540), wk = 0.0031646 k( 174) = ( 0.0872726 -0.2196368 -0.3995935), wk = 0.0031646 k( 175) = ( 0.0930907 -0.2342793 -0.4262331), wk = 0.0031646 k( 176) = ( 0.0989089 -0.2489218 -0.4528727), wk = 0.0031646 k( 177) = ( 0.1047271 -0.2635642 -0.4795123), wk = 0.0031646 k( 178) = ( 0.1105453 -0.2782067 -0.5061518), wk = 0.0031646 k( 179) = ( 0.1163634 -0.2928491 -0.5327914), wk = 0.0031646 k( 180) = ( 0.1221816 -0.3074916 -0.5594310), wk = 0.0031646 k( 181) = ( 0.1279998 -0.3221340 -0.5860705), wk = 0.0031646 k( 182) = ( 0.1338179 -0.3367765 -0.6127102), wk = 0.0031646 k( 183) = ( 0.1396361 -0.3514190 -0.6393497), wk = 0.0031646 k( 184) = ( 0.1454543 -0.3660614 -0.6659893), wk = 0.0031646 k( 185) = ( 0.1512725 -0.3807039 -0.6926288), wk = 0.0031646 k( 186) = ( 0.1570906 -0.3953463 -0.7192684), wk = 0.0031646 k( 187) = ( 0.1629088 -0.4099888 -0.7459080), wk = 0.0031646 k( 188) = ( 0.1687270 -0.4246312 -0.7725476), wk = 0.0031646 k( 189) = ( 0.1745452 -0.4392737 -0.7991871), wk = 0.0031646 k( 190) = ( 0.1803633 -0.4539161 -0.8258267), wk = 0.0031646 k( 191) = ( 0.1861815 -0.4685586 -0.8524663), wk = 0.0031646 k( 192) = ( 0.1919997 -0.4832010 -0.8791058), wk = 0.0031646 k( 193) = ( 0.1978178 -0.4978435 -0.9057454), wk = 0.0031646 k( 194) = ( 0.2036360 -0.5124860 -0.9323850), wk = 0.0031646 k( 195) = ( 0.2094542 -0.5271284 -0.9590246), wk = 0.0031646 k( 196) = ( 0.2152724 -0.5417709 -0.9856641), wk = 0.0031646 k( 197) = ( 0.2210905 -0.5564133 -1.0123037), wk = 0.0031646 k( 198) = ( 0.2269087 -0.5710558 -1.0389433), wk = 0.0031646 k( 199) = ( 0.2327269 -0.5856982 -1.0655828), wk = 0.0031646 k( 200) = ( 0.2385450 -0.6003407 -1.0922224), wk = 0.0031646 k( 201) = ( 0.2443632 -0.6149832 -1.1188620), wk = 0.0031646 k( 202) = ( 0.2501814 -0.6296256 -1.1455016), wk = 0.0031646 k( 203) = ( 0.2559996 -0.6442681 -1.1721411), wk = 0.0031646 k( 204) = ( 0.2618177 -0.6589105 -1.1987807), wk = 0.0031646 k( 205) = ( 0.2676359 -0.6735530 -1.2254203), wk = 0.0031646 k( 206) = ( 0.2734541 -0.6881954 -1.2520598), wk = 0.0031646 k( 207) = ( 0.2792722 -0.7028379 -1.2786994), wk = 0.0031646 k( 208) = ( 0.2850904 -0.7174804 -1.3053390), wk = 0.0031646 k( 209) = ( 0.2909086 -0.7321228 -1.3319786), wk = 0.0031646 k( 210) = ( 0.2967267 -0.7467653 -1.3586181), wk = 0.0031646 k( 211) = ( 0.3025449 -0.7614077 -1.3852577), wk = 0.0031646 k( 212) = ( 0.3083631 -0.7760502 -1.4118972), wk = 0.0031646 k( 213) = ( 0.3141813 -0.7906926 -1.4385368), wk = 0.0031646 k( 214) = ( 0.3199994 -0.8053351 -1.4651764), wk = 0.0031646 k( 215) = ( 0.3258176 -0.8199775 -1.4918160), wk = 0.0031646 k( 216) = ( 0.3316358 -0.8346200 -1.5184555), wk = 0.0031646 k( 217) = ( 0.3374540 -0.8492625 -1.5450951), wk = 0.0031646 k( 218) = ( 0.6625460 -0.7535641 -1.4884941), wk = 0.0031646 k( 219) = ( 0.6567408 -0.7232333 -1.4884941), wk = 0.0031646 k( 220) = ( 0.6509356 -0.6929025 -1.4884941), wk = 0.0031646 k( 221) = ( 0.6451304 -0.6625717 -1.4884941), wk = 0.0031646 k( 222) = ( 0.6393252 -0.6322409 -1.4884941), wk = 0.0031646 k( 223) = ( 0.6335200 -0.6019101 -1.4884941), wk = 0.0031646 k( 224) = ( 0.6277147 -0.5715793 -1.4884941), wk = 0.0031646 k( 225) = ( 0.6219095 -0.5412485 -1.4884941), wk = 0.0031646 k( 226) = ( 0.6161043 -0.5109177 -1.4884941), wk = 0.0031646 k( 227) = ( 0.6102991 -0.4805869 -1.4884941), wk = 0.0031646 k( 228) = ( 0.6044939 -0.4502561 -1.4884941), wk = 0.0031646 k( 229) = ( 0.5986887 -0.4199253 -1.4884941), wk = 0.0031646 k( 230) = ( 0.5928835 -0.3895945 -1.4884941), wk = 0.0031646 k( 231) = ( 0.5870782 -0.3592637 -1.4884941), wk = 0.0031646 k( 232) = ( 0.5812730 -0.3289328 -1.4884941), wk = 0.0031646 k( 233) = ( 0.5754678 -0.2986021 -1.4884941), wk = 0.0031646 k( 234) = ( 0.5696626 -0.2682712 -1.4884941), wk = 0.0031646 k( 235) = ( 0.5638574 -0.2379405 -1.4884941), wk = 0.0031646 k( 236) = ( 0.5580522 -0.2076097 -1.4884941), wk = 0.0031646 k( 237) = ( 0.5522469 -0.1772788 -1.4884941), wk = 0.0031646 k( 238) = ( 0.5464417 -0.1469481 -1.4884941), wk = 0.0031646 k( 239) = ( 0.5406365 -0.1166172 -1.4884941), wk = 0.0031646 k( 240) = ( 0.5348313 -0.0862865 -1.4884941), wk = 0.0031646 k( 241) = ( 0.5290261 -0.0559556 -1.4884941), wk = 0.0031646 k( 242) = ( 0.5232209 -0.0256248 -1.4884941), wk = 0.0031646 k( 243) = ( 0.5174157 0.0047059 -1.4884941), wk = 0.0031646 k( 244) = ( 0.5116104 0.0350368 -1.4884941), wk = 0.0031646 k( 245) = ( 0.5058052 0.0653675 -1.4884941), wk = 0.0031646 k( 246) = ( 0.5000000 0.0956984 -1.4884941), wk = 0.0031646 k( 247) = ( 0.5000000 0.0956984 -1.4884941), wk = 0.0031646 k( 248) = ( 0.5270910 0.1008835 -1.4790606), wk = 0.0031646 k( 249) = ( 0.5541820 0.1060686 -1.4696271), wk = 0.0031646 k( 250) = ( 0.5812730 0.1112538 -1.4601936), wk = 0.0031646 k( 251) = ( 0.6083640 0.1164389 -1.4507601), wk = 0.0031646 k( 252) = ( 0.6354550 0.1216240 -1.4413266), wk = 0.0031646 k( 253) = ( 0.6625460 0.1268091 -1.4318931), wk = 0.0031646 k( 254) = ( 0.6625460 0.1268091 -1.4318931), wk = 0.0031646 k( 255) = ( 0.6592288 0.1261742 -1.4015157), wk = 0.0031646 k( 256) = ( 0.6559115 0.1255393 -1.3711382), wk = 0.0031646 k( 257) = ( 0.6525943 0.1249044 -1.3407608), wk = 0.0031646 k( 258) = ( 0.6492770 0.1242695 -1.3103834), wk = 0.0031646 k( 259) = ( 0.6459597 0.1236346 -1.2800060), wk = 0.0031646 k( 260) = ( 0.6426424 0.1229997 -1.2496285), wk = 0.0031646 k( 261) = ( 0.6393252 0.1223647 -1.2192511), wk = 0.0031646 k( 262) = ( 0.6360079 0.1217298 -1.1888737), wk = 0.0031646 k( 263) = ( 0.6326907 0.1210949 -1.1584962), wk = 0.0031646 k( 264) = ( 0.6293734 0.1204600 -1.1281188), wk = 0.0031646 k( 265) = ( 0.6260561 0.1198251 -1.0977413), wk = 0.0031646 k( 266) = ( 0.6227388 0.1191902 -1.0673639), wk = 0.0031646 k( 267) = ( 0.6194216 0.1185553 -1.0369865), wk = 0.0031646 k( 268) = ( 0.6161043 0.1179203 -1.0066090), wk = 0.0031646 k( 269) = ( 0.6127870 0.1172854 -0.9762316), wk = 0.0031646 k( 270) = ( 0.6094698 0.1166505 -0.9458542), wk = 0.0031646 k( 271) = ( 0.6061525 0.1160156 -0.9154767), wk = 0.0031646 k( 272) = ( 0.6028353 0.1153807 -0.8850993), wk = 0.0031646 k( 273) = ( 0.5995180 0.1147458 -0.8547219), wk = 0.0031646 k( 274) = ( 0.5962007 0.1141109 -0.8243445), wk = 0.0031646 k( 275) = ( 0.5928835 0.1134760 -0.7939670), wk = 0.0031646 k( 276) = ( 0.5895662 0.1128410 -0.7635896), wk = 0.0031646 k( 277) = ( 0.5862489 0.1122061 -0.7332122), wk = 0.0031646 k( 278) = ( 0.5829317 0.1115712 -0.7028348), wk = 0.0031646 k( 279) = ( 0.5796144 0.1109363 -0.6724573), wk = 0.0031646 k( 280) = ( 0.5762971 0.1103014 -0.6420799), wk = 0.0031646 k( 281) = ( 0.5729799 0.1096665 -0.6117025), wk = 0.0031646 k( 282) = ( 0.5696626 0.1090316 -0.5813250), wk = 0.0031646 k( 283) = ( 0.5663453 0.1083966 -0.5509476), wk = 0.0031646 k( 284) = ( 0.5630281 0.1077617 -0.5205702), wk = 0.0031646 k( 285) = ( 0.5597108 0.1071268 -0.4901927), wk = 0.0031646 k( 286) = ( 0.5563935 0.1064919 -0.4598153), wk = 0.0031646 k( 287) = ( 0.5530763 0.1058570 -0.4294379), wk = 0.0031646 k( 288) = ( 0.5497590 0.1052221 -0.3990604), wk = 0.0031646 k( 289) = ( 0.5464417 0.1045872 -0.3686830), wk = 0.0031646 k( 290) = ( 0.5431245 0.1039522 -0.3383056), wk = 0.0031646 k( 291) = ( 0.5398072 0.1033173 -0.3079282), wk = 0.0031646 k( 292) = ( 0.5364899 0.1026824 -0.2775507), wk = 0.0031646 k( 293) = ( 0.5331727 0.1020475 -0.2471733), wk = 0.0031646 k( 294) = ( 0.5298554 0.1014126 -0.2167959), wk = 0.0031646 k( 295) = ( 0.5265381 0.1007777 -0.1864184), wk = 0.0031646 k( 296) = ( 0.5232209 0.1001428 -0.1560410), wk = 0.0031646 k( 297) = ( 0.5199036 0.0995078 -0.1256636), wk = 0.0031646 k( 298) = ( 0.5165863 0.0988729 -0.0952861), wk = 0.0031646 k( 299) = ( 0.5132691 0.0982380 -0.0649087), wk = 0.0031646 k( 300) = ( 0.5099518 0.0976031 -0.0345313), wk = 0.0031646 k( 301) = ( 0.5066345 0.0969682 -0.0041539), wk = 0.0031646 k( 302) = ( 0.5033173 0.0963333 0.0262236), wk = 0.0031646 k( 303) = ( 0.5000000 0.0956984 0.0566010), wk = 0.0031646 k( 304) = ( 0.5000000 -1.2583383 -0.7442471), wk = 0.0031646 k( 305) = ( 0.5270910 -1.2503634 -0.7395303), wk = 0.0031646 k( 306) = ( 0.5541820 -1.2423886 -0.7348135), wk = 0.0031646 k( 307) = ( 0.5812730 -1.2344137 -0.7300968), wk = 0.0031646 k( 308) = ( 0.6083640 -1.2264388 -0.7253800), wk = 0.0031646 k( 309) = ( 0.6354550 -1.2184640 -0.7206633), wk = 0.0031646 k( 310) = ( 0.6625460 -1.2104891 -0.7159465), wk = 0.0031646 k( 311) = ( 0.6896371 -1.2025142 -0.7112298), wk = 0.0031646 k( 312) = ( 0.7167281 -1.1945394 -0.7065130), wk = 0.0031646 k( 313) = ( 0.7438191 -1.1865645 -0.7017963), wk = 0.0031646 k( 314) = ( 0.7709101 -1.1785896 -0.6970795), wk = 0.0031646 k( 315) = ( 0.7980011 -1.1706148 -0.6923628), wk = 0.0031646 k( 316) = ( 0.8250921 -1.1626399 -0.6876460), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0300000 0.0000000 0.0000000), wk = 0.0031646 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0031646 k( 7) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0031646 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0900000 0.0000000 0.0000000), wk = 0.0031646 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0031646 k( 12) = ( 0.1100000 0.0000000 -0.0000000), wk = 0.0031646 k( 13) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0031646 k( 14) = ( 0.1300000 0.0000000 -0.0000000), wk = 0.0031646 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0031646 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0031646 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0031646 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0031646 k( 19) = ( 0.1800000 0.0000000 0.0000000), wk = 0.0031646 k( 20) = ( 0.1900000 0.0000000 0.0000000), wk = 0.0031646 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0031646 k( 22) = ( 0.2100000 0.0000000 0.0000000), wk = 0.0031646 k( 23) = ( 0.2200000 0.0000000 -0.0000000), wk = 0.0031646 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0031646 k( 25) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0031646 k( 26) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0031646 k( 27) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0031646 k( 28) = ( 0.2700000 0.0000000 0.0000000), wk = 0.0031646 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0031646 k( 30) = ( 0.2900000 0.0000000 0.0000000), wk = 0.0031646 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0031646 k( 32) = ( 0.3100000 0.0000000 -0.0000000), wk = 0.0031646 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0031646 k( 34) = ( 0.3300000 0.0000000 0.0000000), wk = 0.0031646 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0031646 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0031646 k( 37) = ( 0.3600000 0.0000000 0.0000000), wk = 0.0031646 k( 38) = ( 0.3700000 0.0000000 -0.0000000), wk = 0.0031646 k( 39) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0031646 k( 40) = ( 0.3900000 0.0000000 0.0000000), wk = 0.0031646 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0031646 k( 42) = ( 0.4100000 0.0000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.4400000 0.0000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.4700000 0.0000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.5000000 0.0056422 -0.0056422), wk = 0.0031646 k( 54) = ( 0.5000000 0.0112844 -0.0112844), wk = 0.0031646 k( 55) = ( 0.5000000 0.0169266 -0.0169266), wk = 0.0031646 k( 56) = ( 0.5000000 0.0225688 -0.0225688), wk = 0.0031646 k( 57) = ( 0.5000000 0.0282110 -0.0282110), wk = 0.0031646 k( 58) = ( 0.5000000 0.0338531 -0.0338531), wk = 0.0031646 k( 59) = ( 0.5000000 0.0394953 -0.0394953), wk = 0.0031646 k( 60) = ( 0.5000000 0.0451375 -0.0451375), wk = 0.0031646 k( 61) = ( 0.5000000 0.0507797 -0.0507797), wk = 0.0031646 k( 62) = ( 0.5000000 0.0564219 -0.0564219), wk = 0.0031646 k( 63) = ( 0.5000000 0.0620641 -0.0620641), wk = 0.0031646 k( 64) = ( 0.5000000 0.0677063 -0.0677063), wk = 0.0031646 k( 65) = ( 0.5000000 0.0733485 -0.0733485), wk = 0.0031646 k( 66) = ( 0.5000000 0.0789907 -0.0789907), wk = 0.0031646 k( 67) = ( 0.5000000 0.0846329 -0.0846329), wk = 0.0031646 k( 68) = ( 0.5000000 0.0902751 -0.0902750), wk = 0.0031646 k( 69) = ( 0.5000000 0.0959172 -0.0959172), wk = 0.0031646 k( 70) = ( 0.5000000 0.1015594 -0.1015594), wk = 0.0031646 k( 71) = ( 0.5000000 0.1072016 -0.1072016), wk = 0.0031646 k( 72) = ( 0.5000000 0.1128438 -0.1128438), wk = 0.0031646 k( 73) = ( 0.5000000 0.1184860 -0.1184860), wk = 0.0031646 k( 74) = ( 0.5000000 0.1241282 -0.1241282), wk = 0.0031646 k( 75) = ( 0.5000000 0.1297704 -0.1297704), wk = 0.0031646 k( 76) = ( 0.5000000 0.1354126 -0.1354126), wk = 0.0031646 k( 77) = ( 0.5000000 0.1410548 -0.1410548), wk = 0.0031646 k( 78) = ( 0.5000000 0.1466970 -0.1466969), wk = 0.0031646 k( 79) = ( 0.5000000 0.1523391 -0.1523391), wk = 0.0031646 k( 80) = ( 0.5000000 0.1579813 -0.1579813), wk = 0.0031646 k( 81) = ( 0.5000000 0.1636235 -0.1636235), wk = 0.0031646 k( 82) = ( 0.5000000 0.1692657 -0.1692657), wk = 0.0031646 k( 83) = ( 0.5000000 0.1749079 -0.1749079), wk = 0.0031646 k( 84) = ( 0.8250921 0.5000000 0.1749079), wk = 0.0031646 k( 85) = ( 0.8192869 0.5000000 0.1807131), wk = 0.0031646 k( 86) = ( 0.8134817 0.5000000 0.1865183), wk = 0.0031646 k( 87) = ( 0.8076764 0.5000000 0.1923235), wk = 0.0031646 k( 88) = ( 0.8018712 0.5000000 0.1981288), wk = 0.0031646 k( 89) = ( 0.7960660 0.5000000 0.2039340), wk = 0.0031646 k( 90) = ( 0.7902608 0.5000000 0.2097392), wk = 0.0031646 k( 91) = ( 0.7844556 0.5000000 0.2155444), wk = 0.0031646 k( 92) = ( 0.7786504 0.5000000 0.2213496), wk = 0.0031646 k( 93) = ( 0.7728451 0.5000000 0.2271548), wk = 0.0031646 k( 94) = ( 0.7670399 0.5000000 0.2329601), wk = 0.0031646 k( 95) = ( 0.7612347 0.5000000 0.2387653), wk = 0.0031646 k( 96) = ( 0.7554295 0.5000000 0.2445705), wk = 0.0031646 k( 97) = ( 0.7496243 0.5000000 0.2503757), wk = 0.0031646 k( 98) = ( 0.7438191 0.5000000 0.2561809), wk = 0.0031646 k( 99) = ( 0.7380139 0.5000000 0.2619861), wk = 0.0031646 k( 100) = ( 0.7322086 0.5000000 0.2677914), wk = 0.0031646 k( 101) = ( 0.7264034 0.5000000 0.2735966), wk = 0.0031646 k( 102) = ( 0.7205982 0.5000000 0.2794018), wk = 0.0031646 k( 103) = ( 0.7147930 0.5000000 0.2852070), wk = 0.0031646 k( 104) = ( 0.7089878 0.5000000 0.2910122), wk = 0.0031646 k( 105) = ( 0.7031826 0.5000000 0.2968174), wk = 0.0031646 k( 106) = ( 0.6973774 0.5000000 0.3026226), wk = 0.0031646 k( 107) = ( 0.6915721 0.5000000 0.3084279), wk = 0.0031646 k( 108) = ( 0.6857669 0.5000000 0.3142331), wk = 0.0031646 k( 109) = ( 0.6799617 0.5000000 0.3200383), wk = 0.0031646 k( 110) = ( 0.6741565 0.5000000 0.3258435), wk = 0.0031646 k( 111) = ( 0.6683513 0.5000000 0.3316487), wk = 0.0031646 k( 112) = ( 0.6625460 0.5000000 0.3374540), wk = 0.0031646 k( 113) = ( 0.6567408 0.5000000 0.3432592), wk = 0.0031646 k( 114) = ( 0.6509356 0.5000000 0.3490644), wk = 0.0031646 k( 115) = ( 0.6451304 0.5000000 0.3548696), wk = 0.0031646 k( 116) = ( 0.6393252 0.5000000 0.3606748), wk = 0.0031646 k( 117) = ( 0.6335200 0.5000000 0.3664800), wk = 0.0031646 k( 118) = ( 0.6277147 0.5000000 0.3722852), wk = 0.0031646 k( 119) = ( 0.6219095 0.5000000 0.3780905), wk = 0.0031646 k( 120) = ( 0.6161043 0.5000000 0.3838957), wk = 0.0031646 k( 121) = ( 0.6102991 0.5000000 0.3897009), wk = 0.0031646 k( 122) = ( 0.6044939 0.5000000 0.3955061), wk = 0.0031646 k( 123) = ( 0.5986887 0.5000000 0.4013113), wk = 0.0031646 k( 124) = ( 0.5928835 0.5000000 0.4071165), wk = 0.0031646 k( 125) = ( 0.5870782 0.5000000 0.4129218), wk = 0.0031646 k( 126) = ( 0.5812730 0.5000000 0.4187270), wk = 0.0031646 k( 127) = ( 0.5754678 0.5000000 0.4245322), wk = 0.0031646 k( 128) = ( 0.5696626 0.5000000 0.4303374), wk = 0.0031646 k( 129) = ( 0.5638574 0.5000000 0.4361426), wk = 0.0031646 k( 130) = ( 0.5580522 0.5000000 0.4419478), wk = 0.0031646 k( 131) = ( 0.5522469 0.5000000 0.4477531), wk = 0.0031646 k( 132) = ( 0.5464417 0.5000000 0.4535583), wk = 0.0031646 k( 133) = ( 0.5406365 0.5000000 0.4593635), wk = 0.0031646 k( 134) = ( 0.5348313 0.5000000 0.4651687), wk = 0.0031646 k( 135) = ( 0.5290261 0.5000000 0.4709739), wk = 0.0031646 k( 136) = ( 0.5232209 0.5000000 0.4767791), wk = 0.0031646 k( 137) = ( 0.5174157 0.5000000 0.4825843), wk = 0.0031646 k( 138) = ( 0.5116104 0.5000000 0.4883896), wk = 0.0031646 k( 139) = ( 0.5058052 0.5000000 0.4941948), wk = 0.0031646 k( 140) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 141) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 142) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0031646 k( 143) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0031646 k( 144) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0031646 k( 145) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0031646 k( 146) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0031646 k( 147) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0031646 k( 148) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0031646 k( 149) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0031646 k( 150) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0031646 k( 151) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0031646 k( 152) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0031646 k( 153) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0031646 k( 154) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0031646 k( 155) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0031646 k( 156) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0031646 k( 157) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0031646 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 160) = ( 0.0058182 0.0000000 -0.0058182), wk = 0.0031646 k( 161) = ( 0.0116363 0.0000000 -0.0116363), wk = 0.0031646 k( 162) = ( 0.0174545 0.0000000 -0.0174545), wk = 0.0031646 k( 163) = ( 0.0232727 0.0000000 -0.0232727), wk = 0.0031646 k( 164) = ( 0.0290909 0.0000000 -0.0290909), wk = 0.0031646 k( 165) = ( 0.0349090 0.0000000 -0.0349090), wk = 0.0031646 k( 166) = ( 0.0407272 0.0000000 -0.0407272), wk = 0.0031646 k( 167) = ( 0.0465454 0.0000000 -0.0465454), wk = 0.0031646 k( 168) = ( 0.0523635 0.0000000 -0.0523635), wk = 0.0031646 k( 169) = ( 0.0581817 0.0000000 -0.0581817), wk = 0.0031646 k( 170) = ( 0.0639999 0.0000000 -0.0639999), wk = 0.0031646 k( 171) = ( 0.0698181 0.0000000 -0.0698181), wk = 0.0031646 k( 172) = ( 0.0756362 0.0000000 -0.0756362), wk = 0.0031646 k( 173) = ( 0.0814544 0.0000000 -0.0814544), wk = 0.0031646 k( 174) = ( 0.0872726 0.0000000 -0.0872726), wk = 0.0031646 k( 175) = ( 0.0930907 0.0000000 -0.0930907), wk = 0.0031646 k( 176) = ( 0.0989089 0.0000000 -0.0989089), wk = 0.0031646 k( 177) = ( 0.1047271 0.0000000 -0.1047271), wk = 0.0031646 k( 178) = ( 0.1105453 0.0000000 -0.1105453), wk = 0.0031646 k( 179) = ( 0.1163634 -0.0000000 -0.1163634), wk = 0.0031646 k( 180) = ( 0.1221816 0.0000000 -0.1221816), wk = 0.0031646 k( 181) = ( 0.1279998 0.0000000 -0.1279998), wk = 0.0031646 k( 182) = ( 0.1338179 0.0000000 -0.1338179), wk = 0.0031646 k( 183) = ( 0.1396361 0.0000000 -0.1396361), wk = 0.0031646 k( 184) = ( 0.1454543 0.0000000 -0.1454543), wk = 0.0031646 k( 185) = ( 0.1512725 0.0000000 -0.1512725), wk = 0.0031646 k( 186) = ( 0.1570906 0.0000000 -0.1570906), wk = 0.0031646 k( 187) = ( 0.1629088 0.0000000 -0.1629088), wk = 0.0031646 k( 188) = ( 0.1687270 0.0000000 -0.1687270), wk = 0.0031646 k( 189) = ( 0.1745452 0.0000000 -0.1745452), wk = 0.0031646 k( 190) = ( 0.1803633 0.0000000 -0.1803633), wk = 0.0031646 k( 191) = ( 0.1861815 0.0000000 -0.1861815), wk = 0.0031646 k( 192) = ( 0.1919997 0.0000000 -0.1919997), wk = 0.0031646 k( 193) = ( 0.1978178 0.0000000 -0.1978178), wk = 0.0031646 k( 194) = ( 0.2036360 0.0000000 -0.2036360), wk = 0.0031646 k( 195) = ( 0.2094542 0.0000000 -0.2094542), wk = 0.0031646 k( 196) = ( 0.2152724 0.0000000 -0.2152724), wk = 0.0031646 k( 197) = ( 0.2210905 0.0000000 -0.2210905), wk = 0.0031646 k( 198) = ( 0.2269087 0.0000000 -0.2269087), wk = 0.0031646 k( 199) = ( 0.2327269 -0.0000000 -0.2327269), wk = 0.0031646 k( 200) = ( 0.2385450 0.0000000 -0.2385450), wk = 0.0031646 k( 201) = ( 0.2443632 0.0000000 -0.2443632), wk = 0.0031646 k( 202) = ( 0.2501814 0.0000000 -0.2501814), wk = 0.0031646 k( 203) = ( 0.2559996 0.0000000 -0.2559995), wk = 0.0031646 k( 204) = ( 0.2618177 0.0000000 -0.2618177), wk = 0.0031646 k( 205) = ( 0.2676359 0.0000000 -0.2676359), wk = 0.0031646 k( 206) = ( 0.2734541 0.0000000 -0.2734541), wk = 0.0031646 k( 207) = ( 0.2792722 0.0000000 -0.2792722), wk = 0.0031646 k( 208) = ( 0.2850904 0.0000000 -0.2850904), wk = 0.0031646 k( 209) = ( 0.2909086 0.0000000 -0.2909086), wk = 0.0031646 k( 210) = ( 0.2967267 0.0000000 -0.2967267), wk = 0.0031646 k( 211) = ( 0.3025449 0.0000000 -0.3025449), wk = 0.0031646 k( 212) = ( 0.3083631 0.0000000 -0.3083631), wk = 0.0031646 k( 213) = ( 0.3141813 0.0000000 -0.3141813), wk = 0.0031646 k( 214) = ( 0.3199994 -0.0000000 -0.3199994), wk = 0.0031646 k( 215) = ( 0.3258176 0.0000000 -0.3258176), wk = 0.0031646 k( 216) = ( 0.3316358 0.0000000 -0.3316358), wk = 0.0031646 k( 217) = ( 0.3374540 0.0000000 -0.3374540), wk = 0.0031646 k( 218) = ( 0.6625460 0.3374540 0.0000000), wk = 0.0031646 k( 219) = ( 0.6567408 0.3432592 -0.0000000), wk = 0.0031646 k( 220) = ( 0.6509356 0.3490644 -0.0000000), wk = 0.0031646 k( 221) = ( 0.6451304 0.3548696 -0.0000000), wk = 0.0031646 k( 222) = ( 0.6393252 0.3606748 0.0000000), wk = 0.0031646 k( 223) = ( 0.6335200 0.3664800 -0.0000000), wk = 0.0031646 k( 224) = ( 0.6277147 0.3722853 -0.0000000), wk = 0.0031646 k( 225) = ( 0.6219095 0.3780905 -0.0000000), wk = 0.0031646 k( 226) = ( 0.6161043 0.3838957 -0.0000000), wk = 0.0031646 k( 227) = ( 0.6102991 0.3897009 -0.0000000), wk = 0.0031646 k( 228) = ( 0.6044939 0.3955061 0.0000000), wk = 0.0031646 k( 229) = ( 0.5986887 0.4013113 -0.0000000), wk = 0.0031646 k( 230) = ( 0.5928835 0.4071165 -0.0000000), wk = 0.0031646 k( 231) = ( 0.5870782 0.4129218 -0.0000000), wk = 0.0031646 k( 232) = ( 0.5812730 0.4187270 -0.0000000), wk = 0.0031646 k( 233) = ( 0.5754678 0.4245322 0.0000000), wk = 0.0031646 k( 234) = ( 0.5696626 0.4303374 -0.0000000), wk = 0.0031646 k( 235) = ( 0.5638574 0.4361426 -0.0000000), wk = 0.0031646 k( 236) = ( 0.5580522 0.4419478 0.0000000), wk = 0.0031646 k( 237) = ( 0.5522469 0.4477531 -0.0000000), wk = 0.0031646 k( 238) = ( 0.5464417 0.4535583 -0.0000000), wk = 0.0031646 k( 239) = ( 0.5406365 0.4593635 -0.0000000), wk = 0.0031646 k( 240) = ( 0.5348313 0.4651687 -0.0000000), wk = 0.0031646 k( 241) = ( 0.5290261 0.4709739 -0.0000000), wk = 0.0031646 k( 242) = ( 0.5232209 0.4767791 0.0000000), wk = 0.0031646 k( 243) = ( 0.5174157 0.4825844 0.0000000), wk = 0.0031646 k( 244) = ( 0.5116104 0.4883896 -0.0000000), wk = 0.0031646 k( 245) = ( 0.5058052 0.4941948 -0.0000000), wk = 0.0031646 k( 246) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 247) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 248) = ( 0.5270910 0.5270910 0.0291513), wk = 0.0031646 k( 249) = ( 0.5541820 0.5541820 0.0583026), wk = 0.0031646 k( 250) = ( 0.5812730 0.5812730 0.0874539), wk = 0.0031646 k( 251) = ( 0.6083640 0.6083640 0.1166053), wk = 0.0031646 k( 252) = ( 0.6354550 0.6354550 0.1457566), wk = 0.0031646 k( 253) = ( 0.6625460 0.6625461 0.1749079), wk = 0.0031646 k( 254) = ( 0.6625460 0.6625461 0.1749079), wk = 0.0031646 k( 255) = ( 0.6592288 0.6592288 0.1815424), wk = 0.0031646 k( 256) = ( 0.6559115 0.6559115 0.1881770), wk = 0.0031646 k( 257) = ( 0.6525943 0.6525943 0.1948115), wk = 0.0031646 k( 258) = ( 0.6492770 0.6492770 0.2014460), wk = 0.0031646 k( 259) = ( 0.6459597 0.6459597 0.2080806), wk = 0.0031646 k( 260) = ( 0.6426424 0.6426425 0.2147151), wk = 0.0031646 k( 261) = ( 0.6393252 0.6393252 0.2213496), wk = 0.0031646 k( 262) = ( 0.6360079 0.6360079 0.2279842), wk = 0.0031646 k( 263) = ( 0.6326907 0.6326907 0.2346187), wk = 0.0031646 k( 264) = ( 0.6293734 0.6293734 0.2412532), wk = 0.0031646 k( 265) = ( 0.6260561 0.6260561 0.2478878), wk = 0.0031646 k( 266) = ( 0.6227388 0.6227389 0.2545223), wk = 0.0031646 k( 267) = ( 0.6194216 0.6194216 0.2611568), wk = 0.0031646 k( 268) = ( 0.6161043 0.6161043 0.2677914), wk = 0.0031646 k( 269) = ( 0.6127870 0.6127871 0.2744259), wk = 0.0031646 k( 270) = ( 0.6094698 0.6094698 0.2810604), wk = 0.0031646 k( 271) = ( 0.6061525 0.6061525 0.2876950), wk = 0.0031646 k( 272) = ( 0.6028353 0.6028353 0.2943295), wk = 0.0031646 k( 273) = ( 0.5995180 0.5995180 0.3009640), wk = 0.0031646 k( 274) = ( 0.5962007 0.5962007 0.3075985), wk = 0.0031646 k( 275) = ( 0.5928835 0.5928835 0.3142331), wk = 0.0031646 k( 276) = ( 0.5895662 0.5895662 0.3208676), wk = 0.0031646 k( 277) = ( 0.5862489 0.5862489 0.3275022), wk = 0.0031646 k( 278) = ( 0.5829317 0.5829317 0.3341367), wk = 0.0031646 k( 279) = ( 0.5796144 0.5796144 0.3407712), wk = 0.0031646 k( 280) = ( 0.5762971 0.5762971 0.3474058), wk = 0.0031646 k( 281) = ( 0.5729799 0.5729799 0.3540403), wk = 0.0031646 k( 282) = ( 0.5696626 0.5696626 0.3606748), wk = 0.0031646 k( 283) = ( 0.5663453 0.5663453 0.3673093), wk = 0.0031646 k( 284) = ( 0.5630281 0.5630281 0.3739439), wk = 0.0031646 k( 285) = ( 0.5597108 0.5597108 0.3805784), wk = 0.0031646 k( 286) = ( 0.5563935 0.5563935 0.3872129), wk = 0.0031646 k( 287) = ( 0.5530763 0.5530763 0.3938475), wk = 0.0031646 k( 288) = ( 0.5497590 0.5497590 0.4004820), wk = 0.0031646 k( 289) = ( 0.5464417 0.5464417 0.4071165), wk = 0.0031646 k( 290) = ( 0.5431245 0.5431245 0.4137511), wk = 0.0031646 k( 291) = ( 0.5398072 0.5398072 0.4203856), wk = 0.0031646 k( 292) = ( 0.5364899 0.5364899 0.4270201), wk = 0.0031646 k( 293) = ( 0.5331727 0.5331727 0.4336547), wk = 0.0031646 k( 294) = ( 0.5298554 0.5298554 0.4402892), wk = 0.0031646 k( 295) = ( 0.5265381 0.5265381 0.4469237), wk = 0.0031646 k( 296) = ( 0.5232209 0.5232209 0.4535583), wk = 0.0031646 k( 297) = ( 0.5199036 0.5199036 0.4601928), wk = 0.0031646 k( 298) = ( 0.5165863 0.5165863 0.4668273), wk = 0.0031646 k( 299) = ( 0.5132691 0.5132691 0.4734619), wk = 0.0031646 k( 300) = ( 0.5099518 0.5099518 0.4800964), wk = 0.0031646 k( 301) = ( 0.5066345 0.5066345 0.4867309), wk = 0.0031646 k( 302) = ( 0.5033173 0.5033173 0.4933655), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 304) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031646 k( 305) = ( 0.5270910 0.0281212 0.0281212), wk = 0.0031646 k( 306) = ( 0.5541820 0.0562423 0.0562423), wk = 0.0031646 k( 307) = ( 0.5812730 0.0843635 0.0843635), wk = 0.0031646 k( 308) = ( 0.6083640 0.1124847 0.1124846), wk = 0.0031646 k( 309) = ( 0.6354550 0.1406058 0.1406058), wk = 0.0031646 k( 310) = ( 0.6625460 0.1687270 0.1687270), wk = 0.0031646 k( 311) = ( 0.6896371 0.1968481 0.1968481), wk = 0.0031646 k( 312) = ( 0.7167281 0.2249693 0.2249693), wk = 0.0031646 k( 313) = ( 0.7438191 0.2530905 0.2530905), wk = 0.0031646 k( 314) = ( 0.7709101 0.2812116 0.2812116), wk = 0.0031646 k( 315) = ( 0.7980011 0.3093328 0.3093328), wk = 0.0031646 k( 316) = ( 0.8250921 0.3374540 0.3374539), wk = 0.0031646 Dense grid: 105285 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 386, 42) NL pseudopotentials 0.45 Mb ( 193, 152) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.01 Mb ( 1463) G-vector shells 0.01 Mb ( 1319) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 386, 168) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.19 Mb ( 152, 2, 42) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Li5NCl2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 8.5 secs Computing kpt #: 3 total cpu time spent up to now is 10.1 secs Computing kpt #: 4 total cpu time spent up to now is 11.6 secs Computing kpt #: 5 total cpu time spent up to now is 13.2 secs Computing kpt #: 6 total cpu time spent up to now is 14.7 secs Computing kpt #: 7 total cpu time spent up to now is 16.3 secs Computing kpt #: 8 total cpu time spent up to now is 18.0 secs Computing kpt #: 9 total cpu time spent up to now is 19.7 secs Computing kpt #: 10 total cpu time spent up to now is 21.4 secs Computing kpt #: 11 total cpu time spent up to now is 23.0 secs Computing kpt #: 12 total cpu time spent up to now is 24.6 secs Computing kpt #: 13 total cpu time spent up to now is 26.1 secs Computing kpt #: 14 total cpu time spent up to now is 27.7 secs Computing kpt #: 15 total cpu time spent up to now is 29.2 secs Computing kpt #: 16 total cpu time spent up to now is 30.9 secs Computing kpt #: 17 total cpu time spent up to now is 32.8 secs Computing kpt #: 18 total cpu time spent up to now is 34.4 secs Computing kpt #: 19 total cpu time spent up to now is 36.0 secs Computing kpt #: 20 total cpu time spent up to now is 37.6 secs Computing kpt #: 21 total cpu time spent up to now is 39.2 secs Computing kpt #: 22 total cpu time spent up to now is 40.7 secs Computing kpt #: 23 total cpu time spent up to now is 42.4 secs Computing kpt #: 24 total cpu time spent up to now is 44.0 secs Computing kpt #: 25 total cpu time spent up to now is 45.7 secs Computing kpt #: 26 total cpu time spent up to now is 47.4 secs Computing kpt #: 27 total cpu time spent up to now is 49.0 secs Computing kpt #: 28 total cpu time spent up to now is 50.7 secs Computing kpt #: 29 total cpu time spent up to now is 52.4 secs Computing kpt #: 30 total cpu time spent up to now is 54.1 secs Computing kpt #: 31 total cpu time spent up to now is 55.8 secs Computing kpt #: 32 total cpu time spent up to now is 57.5 secs Computing kpt #: 33 total cpu time spent up to now is 59.2 secs Computing kpt #: 34 total cpu time spent up to now is 60.9 secs Computing kpt #: 35 total cpu time spent up to now is 62.6 secs Computing kpt #: 36 total cpu time spent up to now is 64.3 secs Computing kpt #: 37 total cpu time spent up to now is 66.0 secs Computing kpt #: 38 total cpu time spent up to now is 67.5 secs Computing kpt #: 39 total cpu time spent up to now is 69.3 secs Computing kpt #: 40 total cpu time spent up to now is 71.2 secs Computing kpt #: 41 total cpu time spent up to now is 72.8 secs Computing kpt #: 42 total cpu time spent up to now is 74.5 secs Computing kpt #: 43 total cpu time spent up to now is 76.2 secs Computing kpt #: 44 total cpu time spent up to now is 77.9 secs Computing kpt #: 45 total cpu time spent up to now is 79.6 secs Computing kpt #: 46 total cpu time spent up to now is 81.8 secs Computing kpt #: 47 total cpu time spent up to now is 83.6 secs Computing kpt #: 48 total cpu time spent up to now is 85.1 secs Computing kpt #: 49 total cpu time spent up to now is 86.7 secs Computing kpt #: 50 total cpu time spent up to now is 88.4 secs Computing kpt #: 51 total cpu time spent up to now is 90.2 secs Computing kpt #: 52 total cpu time spent up to now is 91.7 secs Computing kpt #: 53 total cpu time spent up to now is 93.4 secs Computing kpt #: 54 total cpu time spent up to now is 95.1 secs Computing kpt #: 55 total cpu time spent up to now is 96.8 secs Computing kpt #: 56 total cpu time spent up to now is 98.5 secs Computing kpt #: 57 total cpu time spent up to now is 102.0 secs Computing kpt #: 58 total cpu time spent up to now is 103.8 secs Computing kpt #: 59 total cpu time spent up to now is 105.4 secs Computing kpt #: 60 total cpu time spent up to now is 107.2 secs Computing kpt #: 61 total cpu time spent up to now is 108.9 secs Computing kpt #: 62 total cpu time spent up to now is 111.2 secs Computing kpt #: 63 total cpu time spent up to now is 113.1 secs Computing kpt #: 64 total cpu time spent up to now is 115.0 secs Computing kpt #: 65 total cpu time spent up to now is 116.8 secs Computing kpt #: 66 total cpu time spent up to now is 118.6 secs Computing kpt #: 67 total cpu time spent up to now is 120.5 secs Computing kpt #: 68 total cpu time spent up to now is 122.4 secs Computing kpt #: 69 total cpu time spent up to now is 124.7 secs Computing kpt #: 70 total cpu time spent up to now is 126.7 secs Computing kpt #: 71 total cpu time spent up to now is 128.5 secs Computing kpt #: 72 total cpu time spent up to now is 134.3 secs Computing kpt #: 73 total cpu time spent up to now is 136.0 secs Computing kpt #: 74 total cpu time spent up to now is 137.7 secs Computing kpt #: 75 total cpu time spent up to now is 139.5 secs Computing kpt #: 76 total cpu time spent up to now is 141.3 secs Computing kpt #: 77 total cpu time spent up to now is 143.0 secs Computing kpt #: 78 total cpu time spent up to now is 144.7 secs Computing kpt #: 79 total cpu time spent up to now is 146.3 secs Computing kpt #: 80 total cpu time spent up to now is 147.9 secs Computing kpt #: 81 total cpu time spent up to now is 149.6 secs Computing kpt #: 82 total cpu time spent up to now is 151.2 secs Computing kpt #: 83 total cpu time spent up to now is 152.9 secs Computing kpt #: 84 total cpu time spent up to now is 154.6 secs Computing kpt #: 85 total cpu time spent up to now is 156.2 secs Computing kpt #: 86 total cpu time spent up to now is 157.8 secs Computing kpt #: 87 total cpu time spent up to now is 159.4 secs Computing kpt #: 88 total cpu time spent up to now is 164.7 secs Computing kpt #: 89 total cpu time spent up to now is 166.2 secs Computing kpt #: 90 total cpu time spent up to now is 167.7 secs Computing kpt #: 91 total cpu time spent up to now is 169.3 secs Computing kpt #: 92 total cpu time spent up to now is 170.8 secs Computing kpt #: 93 total cpu time spent up to now is 172.4 secs Computing kpt #: 94 total cpu time spent up to now is 173.9 secs Computing kpt #: 95 total cpu time spent up to now is 175.5 secs Computing kpt #: 96 total cpu time spent up to now is 177.2 secs Computing kpt #: 97 total cpu time spent up to now is 178.9 secs Computing kpt #: 98 total cpu time spent up to now is 183.8 secs Computing kpt #: 99 total cpu time spent up to now is 185.8 secs Computing kpt #: 100 total cpu time spent up to now is 187.8 secs Computing kpt #: 101 total cpu time spent up to now is 189.8 secs Computing kpt #: 102 total cpu time spent up to now is 198.5 secs Computing kpt #: 103 total cpu time spent up to now is 200.6 secs Computing kpt #: 104 total cpu time spent up to now is 202.6 secs Computing kpt #: 105 total cpu time spent up to now is 204.6 secs Computing kpt #: 106 total cpu time spent up to now is 206.7 secs Computing kpt #: 107 total cpu time spent up to now is 208.8 secs Computing kpt #: 108 total cpu time spent up to now is 210.9 secs Computing kpt #: 109 total cpu time spent up to now is 213.2 secs Computing kpt #: 110 total cpu time spent up to now is 215.1 secs Computing kpt #: 111 total cpu time spent up to now is 220.3 secs Computing kpt #: 112 total cpu time spent up to now is 230.1 secs Computing kpt #: 113 total cpu time spent up to now is 231.8 secs Computing kpt #: 114 total cpu time spent up to now is 233.6 secs Computing kpt #: 115 total cpu time spent up to now is 239.8 secs Computing kpt #: 116 total cpu time spent up to now is 247.3 secs Computing kpt #: 117 total cpu time spent up to now is 249.1 secs Computing kpt #: 118 total cpu time spent up to now is 251.0 secs Computing kpt #: 119 total cpu time spent up to now is 252.9 secs Computing kpt #: 120 total cpu time spent up to now is 254.8 secs Computing kpt #: 121 total cpu time spent up to now is 256.8 secs Computing kpt #: 122 total cpu time spent up to now is 258.6 secs Computing kpt #: 123 total cpu time spent up to now is 260.5 secs Computing kpt #: 124 total cpu time spent up to now is 262.4 secs Computing kpt #: 125 total cpu time spent up to now is 264.2 secs Computing kpt #: 126 total cpu time spent up to now is 270.5 secs Computing kpt #: 127 total cpu time spent up to now is 280.5 secs Computing kpt #: 128 total cpu time spent up to now is 282.3 secs Computing kpt #: 129 total cpu time spent up to now is 284.2 secs Computing kpt #: 130 total cpu time spent up to now is 290.0 secs Computing kpt #: 131 total cpu time spent up to now is 292.0 secs Computing kpt #: 132 total cpu time spent up to now is 293.9 secs Computing kpt #: 133 total cpu time spent up to now is 295.8 secs Computing kpt #: 134 total cpu time spent up to now is 297.9 secs Computing kpt #: 135 total cpu time spent up to now is 299.8 secs Computing kpt #: 136 total cpu time spent up to now is 301.9 secs Computing kpt #: 137 total cpu time spent up to now is 314.5 secs Computing kpt #: 138 total cpu time spent up to now is 320.8 secs Computing kpt #: 139 total cpu time spent up to now is 323.6 secs Computing kpt #: 140 total cpu time spent up to now is 335.6 secs Computing kpt #: 141 total cpu time spent up to now is 337.5 secs Computing kpt #: 142 total cpu time spent up to now is 339.4 secs Computing kpt #: 143 total cpu time spent up to now is 341.4 secs Computing kpt #: 144 total cpu time spent up to now is 343.3 secs Computing kpt #: 145 total cpu time spent up to now is 345.4 secs Computing kpt #: 146 total cpu time spent up to now is 346.9 secs Computing kpt #: 147 total cpu time spent up to now is 348.3 secs Computing kpt #: 148 total cpu time spent up to now is 349.8 secs Computing kpt #: 149 total cpu time spent up to now is 351.7 secs Computing kpt #: 150 total cpu time spent up to now is 353.2 secs Computing kpt #: 151 total cpu time spent up to now is 354.8 secs Computing kpt #: 152 total cpu time spent up to now is 366.7 secs Computing kpt #: 153 total cpu time spent up to now is 368.1 secs Computing kpt #: 154 total cpu time spent up to now is 369.9 secs Computing kpt #: 155 total cpu time spent up to now is 372.2 secs Computing kpt #: 156 total cpu time spent up to now is 373.7 secs Computing kpt #: 157 total cpu time spent up to now is 375.1 secs Computing kpt #: 158 total cpu time spent up to now is 376.4 secs Computing kpt #: 159 total cpu time spent up to now is 377.9 secs Computing kpt #: 160 total cpu time spent up to now is 379.4 secs Computing kpt #: 161 total cpu time spent up to now is 381.2 secs Computing kpt #: 162 total cpu time spent up to now is 382.9 secs Computing kpt #: 163 total cpu time spent up to now is 384.3 secs Computing kpt #: 164 total cpu time spent up to now is 385.6 secs Computing kpt #: 165 total cpu time spent up to now is 391.4 secs Computing kpt #: 166 total cpu time spent up to now is 392.9 secs Computing kpt #: 167 total cpu time spent up to now is 394.4 secs Computing kpt #: 168 total cpu time spent up to now is 395.9 secs Computing kpt #: 169 total cpu time spent up to now is 397.4 secs Computing kpt #: 170 total cpu time spent up to now is 399.0 secs Computing kpt #: 171 total cpu time spent up to now is 400.7 secs Computing kpt #: 172 total cpu time spent up to now is 402.3 secs Computing kpt #: 173 total cpu time spent up to now is 403.9 secs Computing kpt #: 174 total cpu time spent up to now is 406.1 secs Computing kpt #: 175 total cpu time spent up to now is 408.0 secs Computing kpt #: 176 total cpu time spent up to now is 409.7 secs Computing kpt #: 177 total cpu time spent up to now is 411.7 secs Computing kpt #: 178 total cpu time spent up to now is 413.5 secs Computing kpt #: 179 total cpu time spent up to now is 415.3 secs Computing kpt #: 180 total cpu time spent up to now is 417.1 secs Computing kpt #: 181 total cpu time spent up to now is 420.1 secs Computing kpt #: 182 total cpu time spent up to now is 421.7 secs Computing kpt #: 183 total cpu time spent up to now is 423.4 secs Computing kpt #: 184 total cpu time spent up to now is 425.1 secs Computing kpt #: 185 total cpu time spent up to now is 426.8 secs Computing kpt #: 186 total cpu time spent up to now is 428.4 secs Computing kpt #: 187 total cpu time spent up to now is 430.2 secs Computing kpt #: 188 total cpu time spent up to now is 432.0 secs Computing kpt #: 189 total cpu time spent up to now is 433.9 secs Computing kpt #: 190 total cpu time spent up to now is 436.0 secs Computing kpt #: 191 total cpu time spent up to now is 438.0 secs Computing kpt #: 192 total cpu time spent up to now is 440.0 secs Computing kpt #: 193 total cpu time spent up to now is 441.9 secs Computing kpt #: 194 total cpu time spent up to now is 444.1 secs Computing kpt #: 195 total cpu time spent up to now is 446.0 secs Computing kpt #: 196 total cpu time spent up to now is 448.0 secs Computing kpt #: 197 total cpu time spent up to now is 450.6 secs Computing kpt #: 198 total cpu time spent up to now is 452.6 secs Computing kpt #: 199 total cpu time spent up to now is 454.7 secs Computing kpt #: 200 total cpu time spent up to now is 456.8 secs Computing kpt #: 201 total cpu time spent up to now is 458.9 secs Computing kpt #: 202 total cpu time spent up to now is 461.0 secs Computing kpt #: 203 total cpu time spent up to now is 463.3 secs Computing kpt #: 204 total cpu time spent up to now is 465.4 secs Computing kpt #: 205 total cpu time spent up to now is 467.5 secs Computing kpt #: 206 total cpu time spent up to now is 469.4 secs Computing kpt #: 207 total cpu time spent up to now is 471.6 secs Computing kpt #: 208 total cpu time spent up to now is 473.5 secs Computing kpt #: 209 total cpu time spent up to now is 475.4 secs Computing kpt #: 210 total cpu time spent up to now is 477.3 secs Computing kpt #: 211 total cpu time spent up to now is 479.2 secs Computing kpt #: 212 total cpu time spent up to now is 481.0 secs Computing kpt #: 213 total cpu time spent up to now is 482.8 secs Computing kpt #: 214 total cpu time spent up to now is 484.7 secs Computing kpt #: 215 total cpu time spent up to now is 486.6 secs Computing kpt #: 216 total cpu time spent up to now is 488.4 secs Computing kpt #: 217 total cpu time spent up to now is 490.3 secs Computing kpt #: 218 total cpu time spent up to now is 492.2 secs Computing kpt #: 219 total cpu time spent up to now is 494.0 secs Computing kpt #: 220 total cpu time spent up to now is 495.8 secs Computing kpt #: 221 total cpu time spent up to now is 497.5 secs Computing kpt #: 222 total cpu time spent up to now is 499.3 secs Computing kpt #: 223 total cpu time spent up to now is 501.0 secs Computing kpt #: 224 total cpu time spent up to now is 502.8 secs Computing kpt #: 225 total cpu time spent up to now is 504.8 secs Computing kpt #: 226 total cpu time spent up to now is 506.7 secs Computing kpt #: 227 total cpu time spent up to now is 508.7 secs Computing kpt #: 228 total cpu time spent up to now is 510.6 secs Computing kpt #: 229 total cpu time spent up to now is 512.6 secs Computing kpt #: 230 total cpu time spent up to now is 514.6 secs Computing kpt #: 231 total cpu time spent up to now is 516.5 secs Computing kpt #: 232 total cpu time spent up to now is 518.8 secs Computing kpt #: 233 total cpu time spent up to now is 521.0 secs Computing kpt #: 234 total cpu time spent up to now is 523.1 secs Computing kpt #: 235 total cpu time spent up to now is 525.2 secs Computing kpt #: 236 total cpu time spent up to now is 527.5 secs Computing kpt #: 237 total cpu time spent up to now is 529.7 secs Computing kpt #: 238 total cpu time spent up to now is 532.0 secs Computing kpt #: 239 total cpu time spent up to now is 534.4 secs Computing kpt #: 240 total cpu time spent up to now is 536.6 secs Computing kpt #: 241 total cpu time spent up to now is 538.9 secs Computing kpt #: 242 total cpu time spent up to now is 541.1 secs Computing kpt #: 243 total cpu time spent up to now is 543.5 secs Computing kpt #: 244 total cpu time spent up to now is 546.2 secs Computing kpt #: 245 total cpu time spent up to now is 548.5 secs Computing kpt #: 246 total cpu time spent up to now is 550.6 secs Computing kpt #: 247 total cpu time spent up to now is 552.9 secs Computing kpt #: 248 total cpu time spent up to now is 555.3 secs Computing kpt #: 249 total cpu time spent up to now is 557.6 secs Computing kpt #: 250 total cpu time spent up to now is 559.9 secs Computing kpt #: 251 total cpu time spent up to now is 562.2 secs Computing kpt #: 252 total cpu time spent up to now is 564.5 secs Computing kpt #: 253 total cpu time spent up to now is 566.9 secs Computing kpt #: 254 total cpu time spent up to now is 569.0 secs Computing kpt #: 255 total cpu time spent up to now is 571.4 secs Computing kpt #: 256 total cpu time spent up to now is 573.7 secs Computing kpt #: 257 total cpu time spent up to now is 575.9 secs Computing kpt #: 258 total cpu time spent up to now is 578.1 secs Computing kpt #: 259 total cpu time spent up to now is 580.6 secs Computing kpt #: 260 total cpu time spent up to now is 582.8 secs Computing kpt #: 261 total cpu time spent up to now is 585.0 secs Computing kpt #: 262 total cpu time spent up to now is 587.2 secs Computing kpt #: 263 total cpu time spent up to now is 589.1 secs Computing kpt #: 264 total cpu time spent up to now is 591.1 secs Computing kpt #: 265 total cpu time spent up to now is 593.1 secs Computing kpt #: 266 total cpu time spent up to now is 594.9 secs Computing kpt #: 267 total cpu time spent up to now is 596.8 secs Computing kpt #: 268 total cpu time spent up to now is 598.7 secs Computing kpt #: 269 total cpu time spent up to now is 600.6 secs Computing kpt #: 270 total cpu time spent up to now is 602.5 secs Computing kpt #: 271 total cpu time spent up to now is 604.6 secs Computing kpt #: 272 total cpu time spent up to now is 606.5 secs Computing kpt #: 273 total cpu time spent up to now is 608.5 secs Computing kpt #: 274 total cpu time spent up to now is 610.5 secs Computing kpt #: 275 total cpu time spent up to now is 612.6 secs Computing kpt #: 276 total cpu time spent up to now is 614.5 secs Computing kpt #: 277 total cpu time spent up to now is 616.7 secs Computing kpt #: 278 total cpu time spent up to now is 618.5 secs Computing kpt #: 279 total cpu time spent up to now is 620.4 secs Computing kpt #: 280 total cpu time spent up to now is 622.3 secs Computing kpt #: 281 total cpu time spent up to now is 624.1 secs Computing kpt #: 282 total cpu time spent up to now is 626.0 secs Computing kpt #: 283 total cpu time spent up to now is 628.3 secs Computing kpt #: 284 total cpu time spent up to now is 630.7 secs Computing kpt #: 285 total cpu time spent up to now is 632.9 secs Computing kpt #: 286 total cpu time spent up to now is 635.1 secs Computing kpt #: 287 total cpu time spent up to now is 637.3 secs Computing kpt #: 288 total cpu time spent up to now is 639.4 secs Computing kpt #: 289 total cpu time spent up to now is 641.8 secs Computing kpt #: 290 total cpu time spent up to now is 644.1 secs Computing kpt #: 291 total cpu time spent up to now is 646.3 secs Computing kpt #: 292 total cpu time spent up to now is 648.6 secs Computing kpt #: 293 total cpu time spent up to now is 651.2 secs Computing kpt #: 294 total cpu time spent up to now is 653.7 secs Computing kpt #: 295 total cpu time spent up to now is 656.5 secs Computing kpt #: 296 total cpu time spent up to now is 658.8 secs Computing kpt #: 297 total cpu time spent up to now is 661.3 secs Computing kpt #: 298 total cpu time spent up to now is 663.8 secs Computing kpt #: 299 total cpu time spent up to now is 666.4 secs Computing kpt #: 300 total cpu time spent up to now is 669.2 secs Computing kpt #: 301 total cpu time spent up to now is 671.8 secs Computing kpt #: 302 total cpu time spent up to now is 675.0 secs Computing kpt #: 303 total cpu time spent up to now is 677.2 secs Computing kpt #: 304 total cpu time spent up to now is 679.2 secs Computing kpt #: 305 total cpu time spent up to now is 681.7 secs Computing kpt #: 306 total cpu time spent up to now is 683.6 secs Computing kpt #: 307 total cpu time spent up to now is 685.4 secs Computing kpt #: 308 total cpu time spent up to now is 687.3 secs Computing kpt #: 309 total cpu time spent up to now is 689.2 secs Computing kpt #: 310 total cpu time spent up to now is 691.2 secs Computing kpt #: 311 total cpu time spent up to now is 693.4 secs Computing kpt #: 312 total cpu time spent up to now is 695.5 secs Computing kpt #: 313 total cpu time spent up to now is 697.7 secs Computing kpt #: 314 total cpu time spent up to now is 700.1 secs Computing kpt #: 315 total cpu time spent up to now is 702.6 secs Computing kpt #: 316 total cpu time spent up to now is 705.1 secs ethr = 2.94E-08, avg # of iterations = 20.5 total cpu time spent up to now is 705.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13187 PWs) bands (ev): -43.2756 -43.2756 -41.2850 -41.2850 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8323 -6.8323 -1.9468 -1.9468 -0.7241 -0.7241 -0.0706 -0.0706 0.0143 0.0143 0.0667 0.0667 0.1506 0.1506 2.9256 2.9256 4.6512 4.6512 4.6612 4.6612 6.3669 6.3669 7.1544 7.1544 8.7787 8.7787 9.7044 9.7044 k = 0.0100-0.0252-0.0149 ( 13184 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9937 -12.9937 -12.7009 -12.7009 -6.8321 -6.8321 -1.9465 -1.9465 -0.7242 -0.7242 -0.0725 -0.0725 0.0118 0.0118 0.0659 0.0659 0.1491 0.1491 2.9261 2.9261 4.6491 4.6491 4.6592 4.6592 6.3707 6.3707 7.1582 7.1582 8.7811 8.7811 9.7018 9.7018 k = 0.0200-0.0503-0.0298 ( 13184 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8870 -39.8870 -39.6765 -39.6765 -12.9926 -12.9926 -12.7000 -12.7000 -6.8317 -6.8317 -1.9454 -1.9454 -0.7243 -0.7243 -0.0782 -0.0782 0.0044 0.0044 0.0633 0.0633 0.1450 0.1450 2.9276 2.9276 4.6416 4.6416 4.6542 4.6542 6.3818 6.3818 7.1695 7.1695 8.7883 8.7883 9.6943 9.6943 k = 0.0300-0.0755-0.0447 ( 13190 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8868 -39.8868 -39.6767 -39.6767 -12.9907 -12.9907 -12.6985 -12.6985 -6.8311 -6.8311 -1.9436 -1.9436 -0.7247 -0.7247 -0.0882 -0.0882 -0.0069 -0.0069 0.0579 0.0579 0.1386 0.1386 2.9301 2.9301 4.6277 4.6277 4.6476 4.6476 6.4001 6.4001 7.1881 7.1881 8.8001 8.8001 9.6820 9.6820 k = 0.0400-0.1007-0.0595 ( 13166 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2844 -41.2844 -39.8865 -39.8865 -39.6770 -39.6770 -12.9881 -12.9881 -12.6964 -12.6964 -6.8301 -6.8301 -1.9412 -1.9412 -0.7252 -0.7252 -0.1028 -0.1028 -0.0210 -0.0210 0.0488 0.0488 0.1310 0.1310 2.9336 2.9336 4.6076 4.6076 4.6395 4.6395 6.4252 6.4252 7.2139 7.2139 8.8163 8.8163 9.6651 9.6651 k = 0.0500-0.1258-0.0744 ( 13159 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2844 -41.2844 -39.8860 -39.8860 -39.6774 -39.6774 -12.9846 -12.9846 -12.6938 -12.6938 -6.8289 -6.8289 -1.9380 -1.9380 -0.7261 -0.7261 -0.1228 -0.1228 -0.0370 -0.0370 0.0349 0.0349 0.1231 0.1231 2.9381 2.9381 4.5821 4.5821 4.6296 4.6296 6.4568 6.4568 7.2465 7.2465 8.8366 8.8366 9.6439 9.6439 k = 0.0600-0.1510-0.0893 ( 13158 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8855 -39.8855 -39.6779 -39.6779 -12.9805 -12.9805 -12.6906 -12.6906 -6.8274 -6.8274 -1.9342 -1.9342 -0.7275 -0.7275 -0.1482 -0.1482 -0.0541 -0.0541 0.0158 0.0158 0.1155 0.1155 2.9436 2.9436 4.5516 4.5516 4.6177 4.6177 6.4944 6.4944 7.2855 7.2855 8.8605 8.8605 9.6192 9.6192 k = 0.0700-0.1762-0.1042 ( 13158 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8849 -39.8849 -39.6785 -39.6785 -12.9756 -12.9756 -12.6868 -12.6868 -6.8257 -6.8257 -1.9297 -1.9297 -0.7296 -0.7296 -0.1789 -0.1789 -0.0725 -0.0725 -0.0079 -0.0079 0.1083 0.1083 2.9500 2.9500 4.5169 4.5169 4.6040 4.6040 6.5374 6.5374 7.3304 7.3304 8.8874 8.8874 9.5915 9.5915 k = 0.0800-0.2013-0.1191 ( 13153 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8842 -39.8842 -39.6791 -39.6791 -12.9701 -12.9701 -12.6824 -12.6824 -6.8237 -6.8237 -1.9246 -1.9246 -0.7328 -0.7328 -0.2140 -0.2140 -0.0930 -0.0930 -0.0350 -0.0350 0.1014 0.1014 2.9573 2.9573 4.4782 4.4782 4.5885 4.5885 6.5853 6.5853 7.3805 7.3805 8.9162 8.9162 9.5618 9.5618 k = 0.0900-0.2265-0.1340 ( 13146 PWs) bands (ev): -43.2754 -43.2754 -41.2848 -41.2848 -41.2842 -41.2842 -39.8834 -39.8834 -39.6799 -39.6799 -12.9638 -12.9638 -12.6776 -12.6776 -6.8215 -6.8215 -1.9189 -1.9189 -0.7374 -0.7374 -0.2526 -0.2526 -0.1174 -0.1174 -0.0632 -0.0632 0.0945 0.0945 2.9656 2.9656 4.4362 4.4362 4.5712 4.5712 6.6376 6.6376 7.4351 7.4351 8.9459 8.9459 9.5317 9.5317 k = 0.1000-0.2517-0.1488 ( 13144 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8825 -39.8825 -39.6807 -39.6807 -12.9568 -12.9568 -12.6722 -12.6722 -6.8191 -6.8191 -1.9126 -1.9126 -0.7440 -0.7440 -0.2936 -0.2936 -0.1479 -0.1479 -0.0900 -0.0900 0.0873 0.0873 2.9747 2.9747 4.3913 4.3913 4.5524 4.5524 6.6937 6.6937 7.4934 7.4934 8.9744 8.9744 9.5029 9.5029 k = 0.1100-0.2768-0.1637 ( 13146 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8816 -39.8816 -39.6816 -39.6816 -12.9492 -12.9492 -12.6664 -12.6664 -6.8164 -6.8164 -1.9059 -1.9059 -0.7535 -0.7535 -0.3357 -0.3357 -0.1852 -0.1852 -0.1140 -0.1140 0.0797 0.0797 2.9847 2.9847 4.3439 4.3439 4.5320 4.5320 6.7531 6.7531 7.5543 7.5543 8.9994 8.9994 9.4783 9.4783 k = 0.1200-0.3020-0.1786 ( 13151 PWs) bands (ev): -43.2754 -43.2754 -41.2846 -41.2846 -41.2841 -41.2841 -39.8805 -39.8805 -39.6827 -39.6827 -12.9409 -12.9409 -12.6601 -12.6601 -6.8135 -6.8135 -1.8986 -1.8986 -0.7668 -0.7668 -0.3777 -0.3777 -0.2278 -0.2278 -0.1360 -0.1360 0.0715 0.0715 2.9955 2.9955 4.2945 4.2945 4.5103 4.5103 6.8153 6.8153 7.6168 7.6168 9.0177 9.0177 9.4611 9.4611 k = 0.1300-0.3272-0.1935 ( 13146 PWs) bands (ev): -43.2753 -43.2753 -41.2846 -41.2846 -41.2841 -41.2841 -39.8794 -39.8794 -39.6837 -39.6837 -12.9320 -12.9320 -12.6533 -12.6533 -6.8104 -6.8104 -1.8910 -1.8910 -0.7851 -0.7851 -0.4180 -0.4180 -0.2742 -0.2742 -0.1572 -0.1572 0.0628 0.0628 3.0070 3.0070 4.2435 4.2435 4.4873 4.4873 6.8798 6.8798 7.6794 7.6794 9.0260 9.0260 9.4546 9.4546 k = 0.1400-0.3523-0.2084 ( 13139 PWs) bands (ev): -43.2753 -43.2753 -41.2845 -41.2845 -41.2840 -41.2840 -39.8781 -39.8781 -39.6849 -39.6849 -12.9225 -12.9225 -12.6461 -12.6461 -6.8071 -6.8071 -1.8831 -1.8831 -0.8098 -0.8098 -0.4557 -0.4557 -0.3225 -0.3225 -0.1781 -0.1781 0.0535 0.0535 3.0193 3.0193 4.1912 4.1912 4.4632 4.4632 6.9461 6.9461 7.7407 7.7407 9.0226 9.0226 9.4610 9.4610 k = 0.1500-0.3775-0.2233 ( 13135 PWs) bands (ev): -43.2752 -43.2752 -41.2845 -41.2845 -41.2840 -41.2840 -39.8768 -39.8768 -39.6862 -39.6862 -12.9125 -12.9125 -12.6386 -12.6386 -6.8036 -6.8036 -1.8749 -1.8749 -0.8416 -0.8416 -0.4904 -0.4904 -0.3710 -0.3710 -0.1990 -0.1990 0.0436 0.0436 3.0322 3.0322 4.1381 4.1381 4.4381 4.4381 7.0137 7.0137 7.7989 7.7989 9.0084 9.0084 9.4796 9.4796 k = 0.1600-0.4027-0.2382 ( 13121 PWs) bands (ev): -43.2752 -43.2752 -41.2844 -41.2844 -41.2839 -41.2839 -39.8754 -39.8754 -39.6875 -39.6875 -12.9019 -12.9019 -12.6307 -12.6307 -6.8000 -6.8000 -1.8666 -1.8666 -0.8808 -0.8808 -0.5237 -0.5237 -0.4171 -0.4171 -0.2200 -0.2200 0.0331 0.0331 3.0456 3.0456 4.0844 4.0844 4.4121 4.4121 7.0821 7.0821 7.8521 7.8521 8.9865 8.9865 9.5075 9.5075 k = 0.1700-0.4278-0.2530 ( 13100 PWs) bands (ev): -43.2751 -43.2751 -41.2844 -41.2844 -41.2839 -41.2839 -39.8739 -39.8739 -39.6889 -39.6889 -12.8908 -12.8908 -12.6225 -12.6225 -6.7962 -6.7962 -1.8582 -1.8582 -0.9269 -0.9269 -0.5593 -0.5593 -0.4565 -0.4565 -0.2413 -0.2413 0.0221 0.0221 3.0595 3.0595 4.0306 4.0306 4.3854 4.3854 7.1507 7.1507 7.8981 7.8981 8.9605 8.9605 9.5415 9.5415 k = 0.1800-0.4530-0.2679 ( 13105 PWs) bands (ev): -43.2751 -43.2751 -41.2843 -41.2843 -41.2838 -41.2838 -39.8724 -39.8724 -39.6903 -39.6903 -12.8792 -12.8792 -12.6140 -12.6140 -6.7922 -6.7922 -1.8501 -1.8501 -0.9788 -0.9788 -0.6012 -0.6012 -0.4858 -0.4858 -0.2627 -0.2627 0.0106 0.0106 3.0737 3.0737 3.9770 3.9770 4.3581 4.3581 7.2189 7.2189 7.9353 7.9353 8.9337 8.9337 9.5781 9.5781 k = 0.1900-0.4782-0.2828 ( 13107 PWs) bands (ev): -43.2751 -43.2751 -41.2842 -41.2842 -41.2838 -41.2838 -39.8708 -39.8708 -39.6919 -39.6919 -12.8671 -12.8671 -12.6052 -12.6052 -6.7882 -6.7882 -1.8422 -1.8422 -1.0350 -1.0350 -0.6496 -0.6496 -0.5052 -0.5052 -0.2842 -0.2842 -0.0013 -0.0013 3.0880 3.0880 3.9241 3.9241 4.3304 4.3304 7.2860 7.2860 7.9619 7.9619 8.9085 8.9085 9.6148 9.6148 k = 0.2000-0.5033-0.2977 ( 13112 PWs) bands (ev): -43.2750 -43.2750 -41.2842 -41.2842 -41.2837 -41.2837 -39.8691 -39.8691 -39.6935 -39.6935 -12.8547 -12.8547 -12.5962 -12.5962 -6.7840 -6.7840 -1.8348 -1.8348 -1.0946 -1.0946 -0.7018 -0.7018 -0.5177 -0.5177 -0.3058 -0.3058 -0.0136 -0.0136 3.1023 3.1023 3.8722 3.8722 4.3023 4.3023 7.3508 7.3508 7.9777 7.9777 8.8862 8.8862 9.6486 9.6486 k = 0.2100-0.5285-0.3126 ( 13119 PWs) bands (ev): -43.2750 -43.2750 -41.2841 -41.2841 -41.2837 -41.2837 -39.8673 -39.8673 -39.6952 -39.6952 -12.8419 -12.8419 -12.5871 -12.5871 -6.7797 -6.7797 -1.8283 -1.8283 -1.1563 -1.1563 -0.7556 -0.7556 -0.5260 -0.5260 -0.3274 -0.3274 -0.0262 -0.0262 3.1162 3.1162 3.8218 3.8218 4.2740 4.2740 7.4120 7.4120 7.9832 7.9832 8.8671 8.8671 9.6763 9.6763 k = 0.2200-0.5537-0.3275 ( 13117 PWs) bands (ev): -43.2749 -43.2749 -41.2841 -41.2841 -41.2836 -41.2836 -39.8655 -39.8655 -39.6969 -39.6969 -12.8287 -12.8287 -12.5778 -12.5778 -6.7753 -6.7753 -1.8228 -1.8228 -1.2194 -1.2194 -0.8094 -0.8094 -0.5317 -0.5317 -0.3489 -0.3489 -0.0391 -0.0391 3.1293 3.1293 3.7735 3.7735 4.2456 4.2456 7.4673 7.4673 7.9813 7.9813 8.8509 8.8509 9.6941 9.6941 k = 0.2300-0.5788-0.3424 ( 13117 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2836 -41.2836 -39.8636 -39.8636 -39.6987 -39.6987 -12.8153 -12.8153 -12.5685 -12.5685 -6.7709 -6.7709 -1.8188 -1.8188 -1.2833 -1.2833 -0.8619 -0.8619 -0.5357 -0.5357 -0.3703 -0.3703 -0.0522 -0.0522 3.1413 3.1413 3.7279 3.7279 4.2173 4.2173 7.5131 7.5131 7.9764 7.9764 8.8365 8.8365 9.6995 9.6995 k = 0.2400-0.6040-0.3572 ( 13115 PWs) bands (ev): -43.2748 -43.2748 -41.2839 -41.2839 -41.2835 -41.2835 -39.8617 -39.8617 -39.7006 -39.7006 -12.8016 -12.8016 -12.5591 -12.5591 -6.7664 -6.7664 -1.8166 -1.8166 -1.3473 -1.3473 -0.9124 -0.9124 -0.5388 -0.5388 -0.3915 -0.3915 -0.0654 -0.0654 3.1514 3.1514 3.6857 3.6857 4.1891 4.1891 7.5447 7.5447 7.9749 7.9749 8.8230 8.8230 9.6920 9.6920 k = 0.2500-0.6292-0.3721 ( 13113 PWs) bands (ev): -43.2748 -43.2748 -41.2838 -41.2838 -41.2834 -41.2834 -39.8597 -39.8597 -39.7025 -39.7025 -12.7877 -12.7877 -12.5496 -12.5496 -6.7619 -6.7619 -1.8168 -1.8168 -1.4109 -1.4109 -0.9600 -0.9600 -0.5415 -0.5415 -0.4123 -0.4123 -0.0787 -0.0787 3.1589 3.1589 3.6479 3.6479 4.1611 4.1611 7.5570 7.5570 7.9834 7.9834 8.8098 8.8098 9.6731 9.6731 k = 0.2600-0.6543-0.3870 ( 13128 PWs) bands (ev): -43.2747 -43.2747 -41.2838 -41.2838 -41.2834 -41.2834 -39.8577 -39.8577 -39.7045 -39.7045 -12.7737 -12.7737 -12.5402 -12.5402 -6.7573 -6.7573 -1.8198 -1.8198 -1.4739 -1.4739 -1.0038 -1.0038 -0.5439 -0.5439 -0.4328 -0.4328 -0.0921 -0.0921 3.1628 3.1628 3.6156 3.6156 4.1335 4.1335 7.5479 7.5479 8.0057 8.0057 8.7964 8.7964 9.6449 9.6449 k = 0.2700-0.6795-0.4019 ( 13135 PWs) bands (ev): -43.2747 -43.2747 -41.2837 -41.2837 -41.2833 -41.2833 -39.8556 -39.8556 -39.7065 -39.7065 -12.7596 -12.7596 -12.5309 -12.5309 -6.7528 -6.7528 -1.8261 -1.8261 -1.5358 -1.5358 -1.0433 -1.0433 -0.5465 -0.5465 -0.4527 -0.4527 -0.1054 -0.1054 3.1621 3.1621 3.5898 3.5898 4.1063 4.1063 7.5199 7.5199 8.0403 8.0403 8.7829 8.7829 9.6095 9.6095 k = 0.2800-0.7047-0.4168 ( 13128 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2833 -41.2833 -39.8534 -39.8534 -39.7085 -39.7085 -12.7454 -12.7454 -12.5217 -12.5217 -6.7483 -6.7483 -1.8362 -1.8362 -1.5963 -1.5963 -1.0778 -1.0778 -0.5495 -0.5495 -0.4720 -0.4720 -0.1186 -0.1186 3.1562 3.1562 3.5713 3.5713 4.0796 4.0796 7.4777 7.4777 8.0832 8.0832 8.7695 8.7695 9.5689 9.5689 k = 0.2900-0.7298-0.4317 ( 13132 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2832 -41.2832 -39.8513 -39.8513 -39.7106 -39.7106 -12.7312 -12.7312 -12.5127 -12.5127 -6.7438 -6.7438 -1.8503 -1.8503 -1.6552 -1.6552 -1.1067 -1.1067 -0.5532 -0.5532 -0.4903 -0.4903 -0.1316 -0.1316 3.1446 3.1446 3.5604 3.5604 4.0536 4.0536 7.4260 7.4260 8.1303 8.1303 8.7569 8.7569 9.5247 9.5247 k = 0.3000-0.7550-0.4465 ( 13138 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2832 -41.2832 -39.8491 -39.8491 -39.7127 -39.7127 -12.7171 -12.7171 -12.5039 -12.5039 -6.7394 -6.7394 -1.8687 -1.8687 -1.7120 -1.7120 -1.1300 -1.1300 -0.5580 -0.5580 -0.5075 -0.5075 -0.1444 -0.1444 3.1279 3.1279 3.5568 3.5568 4.0283 4.0283 7.3681 7.3681 8.1783 8.1783 8.7457 8.7457 9.4783 9.4783 k = 0.3100-0.7802-0.4614 ( 13145 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2831 -41.2831 -39.8469 -39.8469 -39.7149 -39.7149 -12.7030 -12.7030 -12.4953 -12.4953 -6.7351 -6.7351 -1.8913 -1.8913 -1.7666 -1.7666 -1.1475 -1.1475 -0.5643 -0.5643 -0.5229 -0.5229 -0.1570 -0.1570 3.1069 3.1069 3.5596 3.5596 4.0037 4.0037 7.3064 7.3064 8.2248 8.2248 8.7368 8.7368 9.4308 9.4308 k = 0.3200-0.8053-0.4763 ( 13148 PWs) bands (ev): -43.2744 -43.2744 -41.2834 -41.2834 -41.2830 -41.2830 -39.8446 -39.8446 -39.7170 -39.7170 -12.6892 -12.6892 -12.4870 -12.4870 -6.7309 -6.7309 -1.9178 -1.9178 -1.8187 -1.8187 -1.1595 -1.1595 -0.5729 -0.5729 -0.5361 -0.5361 -0.1693 -0.1693 3.0828 3.0828 3.5677 3.5677 3.9800 3.9800 7.2426 7.2426 8.2674 8.2674 8.7314 8.7314 9.3832 9.3832 k = 0.3300-0.8305-0.4912 ( 13143 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2830 -41.2830 -39.8424 -39.8424 -39.7192 -39.7192 -12.6755 -12.6755 -12.4791 -12.4791 -6.7268 -6.7268 -1.9478 -1.9478 -1.8680 -1.8680 -1.1665 -1.1665 -0.5837 -0.5837 -0.5469 -0.5469 -0.1812 -0.1812 3.0568 3.0568 3.5798 3.5798 3.9572 3.9572 7.1776 7.1776 8.3044 8.3044 8.7304 8.7304 9.3362 9.3362 k = 0.3400-0.8557-0.5061 ( 13149 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2829 -41.2829 -39.8402 -39.8402 -39.7214 -39.7214 -12.6621 -12.6621 -12.4715 -12.4715 -6.7228 -6.7228 -1.9805 -1.9805 -1.9143 -1.9143 -1.1690 -1.1690 -0.5962 -0.5962 -0.5560 -0.5560 -0.1926 -0.1926 3.0298 3.0298 3.5949 3.5949 3.9354 3.9354 7.1126 7.1126 8.3342 8.3342 8.7347 8.7347 9.2905 9.2905 k = 0.3500-0.8808-0.5210 ( 13150 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8379 -39.8379 -39.7235 -39.7235 -12.6491 -12.6491 -12.4643 -12.4643 -6.7189 -6.7189 -2.0151 -2.0151 -1.9576 -1.9576 -1.1678 -1.1678 -0.6094 -0.6094 -0.5641 -0.5641 -0.2036 -0.2036 3.0026 3.0026 3.6122 3.6122 3.9147 3.9147 7.0482 7.0482 8.3560 8.3560 8.7445 8.7445 9.2465 9.2465 k = 0.3600-0.9060-0.5359 ( 13163 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8357 -39.8357 -39.7257 -39.7257 -12.6365 -12.6365 -12.4575 -12.4575 -6.7153 -6.7153 -2.0507 -2.0507 -1.9982 -1.9982 -1.1634 -1.1634 -0.6226 -0.6226 -0.5721 -0.5721 -0.2142 -0.2142 2.9759 2.9759 3.6310 3.6310 3.8950 3.8950 6.9850 6.9850 8.3699 8.3699 8.7589 8.7589 9.2045 9.2045 k = 0.3700-0.9312-0.5507 ( 13153 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8335 -39.8335 -39.7278 -39.7278 -12.6243 -12.6243 -12.4511 -12.4511 -6.7118 -6.7118 -2.0860 -2.0860 -2.0364 -2.0364 -1.1564 -1.1564 -0.6355 -0.6355 -0.5801 -0.5801 -0.2241 -0.2241 2.9500 2.9500 3.6506 3.6506 3.8765 3.8765 6.9235 6.9235 8.3769 8.3769 8.7762 8.7762 9.1649 9.1649 k = 0.3800-0.9563-0.5656 ( 13153 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8313 -39.8313 -39.7299 -39.7299 -12.6126 -12.6126 -12.4453 -12.4453 -6.7085 -6.7085 -2.1203 -2.1203 -2.0724 -2.0724 -1.1473 -1.1473 -0.6477 -0.6477 -0.5884 -0.5884 -0.2335 -0.2335 2.9254 2.9254 3.6708 3.6708 3.8592 3.8592 6.8643 6.8643 8.3785 8.3785 8.7945 8.7945 9.1278 9.1278 k = 0.3900-0.9815-0.5805 ( 13153 PWs) bands (ev): -43.2742 -43.2742 -41.2830 -41.2830 -41.2827 -41.2827 -39.8293 -39.8293 -39.7320 -39.7320 -12.6015 -12.6015 -12.4399 -12.4399 -6.7054 -6.7054 -2.1527 -2.1527 -2.1064 -2.1064 -1.1368 -1.1368 -0.6592 -0.6592 -0.5970 -0.5970 -0.2423 -0.2423 2.9022 2.9022 3.6909 3.6909 3.8432 3.8432 6.8078 6.8078 8.3764 8.3764 8.8117 8.8117 9.0935 9.0935 k = 0.4000-1.0067-0.5954 ( 13152 PWs) bands (ev): -43.2741 -43.2741 -41.2830 -41.2830 -41.2827 -41.2827 -39.8272 -39.8272 -39.7339 -39.7339 -12.5911 -12.5911 -12.4350 -12.4350 -6.7025 -6.7025 -2.1828 -2.1828 -2.1383 -2.1383 -1.1252 -1.1252 -0.6698 -0.6698 -0.6060 -0.6060 -0.2504 -0.2504 2.8807 2.8807 3.7107 3.7107 3.8284 3.8284 6.7545 6.7545 8.3718 8.3718 8.8266 8.8266 9.0620 9.0620 k = 0.4100-1.0318-0.6103 ( 13161 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2827 -41.2827 -39.8253 -39.8253 -39.7358 -39.7358 -12.5814 -12.5814 -12.4306 -12.4306 -6.6998 -6.6998 -2.2103 -2.2103 -2.1681 -2.1681 -1.1130 -1.1130 -0.6795 -0.6795 -0.6151 -0.6151 -0.2579 -0.2579 2.8609 2.8609 3.7298 3.7298 3.8150 3.8150 6.7047 6.7047 8.3657 8.3657 8.8384 8.8384 9.0334 9.0334 k = 0.4200-1.0570-0.6252 ( 13153 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8235 -39.8235 -39.7376 -39.7376 -12.5725 -12.5725 -12.4268 -12.4268 -6.6974 -6.6974 -2.2349 -2.2349 -2.1955 -2.1955 -1.1005 -1.1005 -0.6881 -0.6881 -0.6243 -0.6243 -0.2646 -0.2646 2.8430 2.8430 3.7478 3.7478 3.8029 3.8029 6.6589 6.6589 8.3590 8.3590 8.8470 8.8470 9.0076 9.0076 k = 0.4300-1.0822-0.6401 ( 13159 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8218 -39.8218 -39.7393 -39.7393 -12.5644 -12.5644 -12.4234 -12.4234 -6.6953 -6.6953 -2.2566 -2.2566 -2.2205 -2.2205 -1.0882 -1.0882 -0.6958 -0.6958 -0.6334 -0.6334 -0.2706 -0.2706 2.8272 2.8272 3.7643 3.7643 3.7925 3.7925 6.6174 6.6174 8.3522 8.3522 8.8527 8.8527 8.9846 8.9846 k = 0.4400-1.1073-0.6549 ( 13167 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8202 -39.8202 -39.7408 -39.7408 -12.5572 -12.5572 -12.4206 -12.4206 -6.6934 -6.6934 -2.2750 -2.2750 -2.2429 -2.2429 -1.0764 -1.0764 -0.7023 -0.7023 -0.6423 -0.6423 -0.2759 -0.2759 2.8133 2.8133 3.7769 3.7769 3.7858 3.7858 6.5806 6.5806 8.3456 8.3456 8.8562 8.8562 8.9644 8.9644 k = 0.4500-1.1325-0.6698 ( 13158 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2826 -41.2826 -39.8189 -39.8189 -39.7421 -39.7421 -12.5510 -12.5510 -12.4182 -12.4182 -6.6918 -6.6918 -2.2903 -2.2903 -2.2626 -2.2626 -1.0655 -1.0655 -0.7078 -0.7078 -0.6506 -0.6506 -0.2803 -0.2803 2.8015 2.8015 3.7735 3.7735 3.7947 3.7947 6.5488 6.5488 8.3396 8.3396 8.8581 8.8581 8.9468 8.9468 k = 0.4600-1.1577-0.6847 ( 13164 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8177 -39.8177 -39.7432 -39.7432 -12.5459 -12.5459 -12.4163 -12.4163 -6.6905 -6.6905 -2.3024 -2.3024 -2.2793 -2.2793 -1.0560 -1.0560 -0.7121 -0.7121 -0.6581 -0.6581 -0.2840 -0.2840 2.7918 2.7918 3.7673 3.7673 3.8056 3.8056 6.5223 6.5223 8.3345 8.3345 8.8591 8.8591 8.9320 8.9320 k = 0.4700-1.1828-0.6996 ( 13154 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8168 -39.8168 -39.7442 -39.7442 -12.5418 -12.5418 -12.4148 -12.4148 -6.6895 -6.6895 -2.3113 -2.3113 -2.2930 -2.2930 -1.0481 -1.0481 -0.7154 -0.7154 -0.6644 -0.6644 -0.2869 -0.2869 2.7843 2.7843 3.7623 3.7623 3.8146 3.8146 6.5015 6.5015 8.3303 8.3303 8.8598 8.8598 8.9201 8.9201 k = 0.4800-1.2080-0.7145 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8161 -39.8161 -39.7448 -39.7448 -12.5388 -12.5388 -12.4138 -12.4138 -6.6887 -6.6887 -2.3169 -2.3169 -2.3035 -2.3035 -1.0421 -1.0421 -0.7177 -0.7177 -0.6692 -0.6692 -0.2890 -0.2890 2.7789 2.7789 3.7587 3.7587 3.8211 3.8211 6.4864 6.4864 8.3272 8.3272 8.8604 8.8604 8.9110 8.9110 k = 0.4900-1.2332-0.7294 ( 13153 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8157 -39.8157 -39.7452 -39.7452 -12.5371 -12.5371 -12.4132 -12.4132 -6.6883 -6.6883 -2.3197 -2.3197 -2.3105 -2.3105 -1.0384 -1.0384 -0.7190 -0.7190 -0.6722 -0.6722 -0.2902 -0.2902 2.7757 2.7757 3.7566 3.7566 3.8251 3.8251 6.4773 6.4773 8.3254 8.3254 8.8609 8.8609 8.9054 8.9054 k = 0.5000-1.2583-0.7442 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3203 -2.3203 -2.3131 -2.3131 -1.0372 -1.0372 -0.7195 -0.7195 -0.6733 -0.6733 -0.2906 -0.2906 2.7746 2.7746 3.7558 3.7558 3.8265 3.8265 6.4743 6.4743 8.3247 8.3247 8.8611 8.8611 8.9034 8.9034 k = 0.5000-1.2583-0.7442 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3203 -2.3203 -2.3131 -2.3131 -1.0372 -1.0372 -0.7195 -0.7195 -0.6733 -0.6733 -0.2906 -0.2906 2.7746 2.7746 3.7558 3.7558 3.8265 3.8265 6.4743 6.4743 8.3247 8.3247 8.8611 8.8611 8.9034 8.9034 k = 0.5000-1.2431-0.7701 ( 13158 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5363 -12.5363 -12.4129 -12.4129 -6.6881 -6.6881 -2.3196 -2.3196 -2.3125 -2.3125 -1.0372 -1.0372 -0.7278 -0.7278 -0.6670 -0.6670 -0.2928 -0.2928 2.7749 2.7749 3.7542 3.7542 3.8266 3.8266 6.4774 6.4774 8.3290 8.3290 8.8595 8.8595 8.9069 8.9069 k = 0.5000-1.2278-0.7959 ( 13158 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8154 -39.8154 -39.7456 -39.7456 -12.5357 -12.5357 -12.4128 -12.4128 -6.6880 -6.6880 -2.3173 -2.3173 -2.3107 -2.3107 -1.0372 -1.0372 -0.7465 -0.7465 -0.6547 -0.6547 -0.2993 -0.2993 2.7759 2.7759 3.7493 3.7493 3.8271 3.8271 6.4867 6.4867 8.3417 8.3417 8.8546 8.8546 8.9175 8.9175 k = 0.5000-1.2125-0.8217 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8151 -39.8151 -39.7458 -39.7458 -12.5347 -12.5347 -12.4126 -12.4126 -6.6877 -6.6877 -2.3136 -2.3136 -2.3076 -2.3076 -1.0372 -1.0372 -0.7698 -0.7698 -0.6419 -0.6419 -0.3101 -0.3101 2.7776 2.7776 3.7413 3.7413 3.8278 3.8278 6.5021 6.5021 8.3626 8.3626 8.8468 8.8468 8.9351 8.9351 k = 0.5000-1.1972-0.8476 ( 13152 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8148 -39.8148 -39.7461 -39.7461 -12.5333 -12.5333 -12.4123 -12.4123 -6.6874 -6.6874 -2.3083 -2.3083 -2.3033 -2.3033 -1.0374 -1.0374 -0.7962 -0.7962 -0.6300 -0.6300 -0.3248 -0.3248 2.7799 2.7799 3.7301 3.7301 3.8288 3.8288 6.5234 6.5234 8.3913 8.3913 8.8363 8.8363 8.9595 8.9595 k = 0.5000-1.1819-0.8734 ( 13148 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8144 -39.8144 -39.7465 -39.7465 -12.5316 -12.5316 -12.4119 -12.4119 -6.6870 -6.6870 -2.3016 -2.3016 -2.2977 -2.2977 -1.0378 -1.0378 -0.8251 -0.8251 -0.6195 -0.6195 -0.3433 -0.3433 2.7829 2.7829 3.7160 3.7160 3.8301 3.8301 6.5505 6.5505 8.4271 8.4271 8.8238 8.8238 8.9906 8.9906 k = 0.5000-1.1667-0.8992 ( 13152 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8139 -39.8139 -39.7469 -39.7469 -12.5294 -12.5294 -12.4114 -12.4114 -6.6865 -6.6865 -2.2935 -2.2935 -2.2909 -2.2909 -1.0385 -1.0385 -0.8563 -0.8563 -0.6105 -0.6105 -0.3652 -0.3652 2.7866 2.7866 3.6991 3.6991 3.8317 3.8317 6.5830 6.5830 8.4685 8.4685 8.8105 8.8105 9.0281 9.0281 k = 0.5000-1.1514-0.9251 ( 13158 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8134 -39.8134 -39.7475 -39.7475 -12.5270 -12.5270 -12.4109 -12.4109 -6.6859 -6.6859 -2.2841 -2.2841 -2.2827 -2.2827 -1.0400 -1.0400 -0.8895 -0.8895 -0.6029 -0.6029 -0.3901 -0.3901 2.7909 2.7909 3.6797 3.6797 3.8336 3.8336 6.6207 6.6207 8.5129 8.5129 8.7991 8.7991 9.0719 9.0719 k = 0.5000-1.1361-0.9509 ( 13164 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8127 -39.8127 -39.7482 -39.7482 -12.5241 -12.5241 -12.4104 -12.4104 -6.6853 -6.6853 -2.2742 -2.2742 -2.2723 -2.2723 -1.0426 -1.0426 -0.9242 -0.9242 -0.5968 -0.5968 -0.4173 -0.4173 2.7958 2.7958 3.6578 3.6578 3.8358 3.8358 6.6632 6.6632 8.5546 8.5546 8.7948 8.7948 9.1216 9.1216 k = 0.5000-1.1208-0.9768 ( 13154 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8120 -39.8120 -39.7489 -39.7489 -12.5210 -12.5210 -12.4098 -12.4098 -6.6845 -6.6845 -2.2638 -2.2638 -2.2599 -2.2599 -1.0471 -1.0471 -0.9598 -0.9598 -0.5922 -0.5922 -0.4462 -0.4462 2.8014 2.8014 3.6338 3.6338 3.8382 3.8382 6.7102 6.7102 8.5834 8.5834 8.8079 8.8079 9.1766 9.1766 k = 0.5000-1.1055-1.0026 ( 13142 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8111 -39.8111 -39.7497 -39.7497 -12.5175 -12.5175 -12.4092 -12.4092 -6.6838 -6.6838 -2.2522 -2.2522 -2.2460 -2.2460 -1.0557 -1.0557 -0.9944 -0.9944 -0.5892 -0.5892 -0.4760 -0.4760 2.8075 2.8075 3.6078 3.6078 3.8410 3.8410 6.7613 6.7613 8.5902 8.5902 8.8470 8.8470 9.2365 9.2365 k = 0.5000-1.0903-1.0284 ( 13154 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8102 -39.8102 -39.7506 -39.7506 -12.5138 -12.5138 -12.4086 -12.4086 -6.6829 -6.6829 -2.2396 -2.2396 -2.2308 -2.2308 -1.0734 -1.0734 -1.0230 -1.0230 -0.5884 -0.5884 -0.5053 -0.5053 2.8143 2.8143 3.5803 3.5803 3.8440 3.8440 6.8162 6.8162 8.5774 8.5774 8.9095 8.9095 9.3005 9.3005 k = 0.5000-1.0750-1.0543 ( 13148 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8092 -39.8092 -39.7516 -39.7516 -12.5097 -12.5097 -12.4080 -12.4080 -6.6820 -6.6820 -2.2258 -2.2258 -2.2141 -2.2141 -1.1043 -1.1043 -1.0419 -1.0419 -0.5910 -0.5910 -0.5319 -0.5319 2.8216 2.8216 3.5513 3.5513 3.8472 3.8472 6.8744 6.8744 8.5527 8.5527 8.9872 8.9872 9.3677 9.3677 k = 0.5000-1.0597-1.0801 ( 13144 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8082 -39.8082 -39.7526 -39.7526 -12.5055 -12.5055 -12.4075 -12.4075 -6.6811 -6.6811 -2.2109 -2.2109 -2.1962 -2.1962 -1.1434 -1.1434 -1.0564 -1.0564 -0.6002 -0.6002 -0.5517 -0.5517 2.8295 2.8295 3.5212 3.5212 3.8507 3.8507 6.9357 6.9357 8.5211 8.5211 9.0742 9.0742 9.4367 9.4367 k = 0.5000-1.0444-1.1059 ( 13146 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8070 -39.8070 -39.7538 -39.7538 -12.5010 -12.5010 -12.4070 -12.4070 -6.6802 -6.6802 -2.1949 -2.1949 -2.1770 -2.1770 -1.1859 -1.1859 -1.0716 -1.0716 -0.6173 -0.6173 -0.5624 -0.5624 2.8380 2.8380 3.4902 3.4902 3.8544 3.8544 6.9997 6.9997 8.4854 8.4854 9.1668 9.1668 9.5056 9.5056 k = 0.5000-1.0291-1.1318 ( 13146 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8058 -39.8058 -39.7550 -39.7550 -12.4963 -12.4963 -12.4066 -12.4066 -6.6792 -6.6792 -2.1778 -2.1778 -2.1566 -2.1566 -1.2301 -1.2301 -1.0896 -1.0896 -0.6376 -0.6376 -0.5678 -0.5678 2.8471 2.8471 3.4586 3.4586 3.8583 3.8583 7.0661 7.0661 8.4470 8.4470 9.2614 9.2614 9.5718 9.5718 k = 0.5000-1.0139-1.1576 ( 13146 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8045 -39.8045 -39.7563 -39.7563 -12.4914 -12.4914 -12.4063 -12.4063 -6.6782 -6.6782 -2.1597 -2.1597 -2.1350 -2.1350 -1.2753 -1.2753 -1.1111 -1.1111 -0.6568 -0.6568 -0.5714 -0.5714 2.8567 2.8567 3.4265 3.4265 3.8623 3.8623 7.1347 7.1347 8.4066 8.4066 9.3522 9.3522 9.6312 9.6312 k = 0.5000-0.9986-1.1834 ( 13140 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8031 -39.8031 -39.7576 -39.7576 -12.4864 -12.4864 -12.4062 -12.4062 -6.6772 -6.6772 -2.1406 -2.1406 -2.1124 -2.1124 -1.3209 -1.3209 -1.1365 -1.1365 -0.6731 -0.6731 -0.5748 -0.5748 2.8668 2.8668 3.3943 3.3943 3.8665 3.8665 7.2052 7.2052 8.3649 8.3649 9.4268 9.4268 9.6779 9.6779 k = 0.5000-0.9833-1.2093 ( 13150 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8016 -39.8016 -39.7591 -39.7591 -12.4813 -12.4813 -12.4061 -12.4061 -6.6762 -6.6762 -2.1205 -2.1205 -2.0888 -2.0888 -1.3667 -1.3667 -1.1655 -1.1655 -0.6857 -0.6857 -0.5784 -0.5784 2.8775 2.8775 3.3622 3.3622 3.8708 3.8708 7.2773 7.2773 8.3224 8.3224 9.4649 9.4649 9.7088 9.7088 k = 0.5000-0.9680-1.2351 ( 13148 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.8001 -39.8001 -39.7606 -39.7606 -12.4761 -12.4761 -12.4063 -12.4063 -6.6753 -6.6753 -2.0995 -2.0995 -2.0643 -2.0643 -1.4123 -1.4123 -1.1978 -1.1978 -0.6947 -0.6947 -0.5824 -0.5824 2.8887 2.8887 3.3303 3.3303 3.8752 3.8752 7.3510 7.3510 8.2794 8.2794 9.4636 9.4636 9.7209 9.7209 k = 0.5000-0.9527-1.2609 ( 13142 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7985 -39.7985 -39.7622 -39.7622 -12.4709 -12.4709 -12.4067 -12.4067 -6.6744 -6.6744 -2.0776 -2.0776 -2.0391 -2.0391 -1.4575 -1.4575 -1.2326 -1.2326 -0.7004 -0.7004 -0.5869 -0.5869 2.9005 2.9005 3.2989 3.2989 3.8796 3.8796 7.4260 7.4260 8.2363 8.2363 9.4413 9.4413 9.7124 9.7124 k = 0.5000-0.9375-1.2868 ( 13150 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7969 -39.7969 -39.7638 -39.7638 -12.4656 -12.4656 -12.4073 -12.4073 -6.6735 -6.6735 -2.0548 -2.0548 -2.0134 -2.0134 -1.5020 -1.5020 -1.2689 -1.2689 -0.7030 -0.7030 -0.5920 -0.5920 2.9128 2.9128 3.2681 3.2681 3.8839 3.8839 7.5021 7.5021 8.1933 8.1933 9.4103 9.4103 9.6876 9.6876 k = 0.5000-0.9222-1.3126 ( 13154 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7951 -39.7951 -39.7655 -39.7655 -12.4604 -12.4604 -12.4081 -12.4081 -6.6726 -6.6726 -2.0313 -2.0313 -1.9873 -1.9873 -1.5456 -1.5456 -1.3060 -1.3060 -0.7032 -0.7032 -0.5977 -0.5977 2.9256 2.9256 3.2382 3.2382 3.8882 3.8882 7.5793 7.5793 8.1508 8.1508 9.3756 9.3756 9.6510 9.6510 k = 0.5000-0.9069-1.3384 ( 13148 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7933 -39.7933 -39.7673 -39.7673 -12.4553 -12.4553 -12.4093 -12.4093 -6.6719 -6.6719 -2.0070 -2.0070 -1.9612 -1.9612 -1.5880 -1.5880 -1.3429 -1.3429 -0.7013 -0.7013 -0.6039 -0.6039 2.9390 2.9390 3.2092 3.2092 3.8923 3.8923 7.6575 7.6575 8.1089 8.1089 9.3395 9.3395 9.6062 9.6062 k = 0.5000-0.8916-1.3643 ( 13152 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7915 -39.7915 -39.7691 -39.7691 -12.4502 -12.4502 -12.4107 -12.4107 -6.6712 -6.6712 -1.9822 -1.9822 -1.9356 -1.9356 -1.6291 -1.6291 -1.3785 -1.3785 -0.6977 -0.6977 -0.6106 -0.6106 2.9529 2.9529 3.1814 3.1814 3.8962 3.8962 7.7365 7.7365 8.0678 8.0678 9.3030 9.3030 9.5560 9.5560 k = 0.5000-0.8764-1.3901 ( 13158 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7896 -39.7896 -39.7710 -39.7710 -12.4452 -12.4452 -12.4125 -12.4125 -6.6706 -6.6706 -1.9569 -1.9569 -1.9110 -1.9110 -1.6686 -1.6686 -1.4117 -1.4117 -0.6928 -0.6928 -0.6177 -0.6177 2.9673 2.9673 3.1549 3.1549 3.8999 3.8999 7.8162 7.8162 8.0277 8.0277 9.2668 9.2668 9.5023 9.5023 k = 0.5000-0.8611-1.4159 ( 13164 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7876 -39.7876 -39.7730 -39.7730 -12.4405 -12.4405 -12.4146 -12.4146 -6.6701 -6.6701 -1.9315 -1.9315 -1.8883 -1.8883 -1.7062 -1.7062 -1.4414 -1.4414 -0.6868 -0.6868 -0.6253 -0.6253 2.9823 2.9823 3.1299 3.1299 3.9032 3.9032 7.8967 7.8967 7.9889 7.9889 9.2315 9.2315 9.4467 9.4467 k = 0.5000-0.8458-1.4418 ( 13166 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7856 -39.7856 -39.7750 -39.7750 -12.4359 -12.4359 -12.4171 -12.4171 -6.6697 -6.6697 -1.9065 -1.9065 -1.8682 -1.8682 -1.7414 -1.7414 -1.4659 -1.4659 -0.6802 -0.6802 -0.6331 -0.6331 2.9978 2.9978 3.1064 3.1064 3.9060 3.9060 7.9514 7.9514 7.9777 7.9777 9.1974 9.1974 9.3900 9.3900 k = 0.5000-0.8305-1.4676 ( 13168 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7836 -39.7836 -39.7770 -39.7770 -12.4315 -12.4315 -12.4200 -12.4200 -6.6694 -6.6694 -1.8839 -1.8839 -1.8514 -1.8514 -1.7731 -1.7731 -1.4835 -1.4835 -0.6733 -0.6733 -0.6409 -0.6409 3.0139 3.0139 3.0845 3.0845 3.9084 3.9084 7.9155 7.9155 8.0591 8.0591 9.1648 9.1648 9.3333 9.3333 k = 0.5000-0.8152-1.4934 ( 13156 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7815 -39.7815 -39.7791 -39.7791 -12.4274 -12.4274 -12.4234 -12.4234 -6.6693 -6.6693 -1.8687 -1.8687 -1.8382 -1.8382 -1.7973 -1.7973 -1.4928 -1.4928 -0.6677 -0.6677 -0.6472 -0.6472 3.0304 3.0304 3.0645 3.0645 3.9101 3.9101 7.8812 7.8812 8.1407 8.1407 9.1341 9.1341 9.2772 9.2772 k = 0.5000-0.8000-1.5193 ( 13156 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7813 -39.7813 -39.7793 -39.7793 -12.4271 -12.4271 -12.4236 -12.4236 -6.6693 -6.6693 -1.8690 -1.8690 -1.8380 -1.8380 -1.7971 -1.7971 -1.4926 -1.4926 -0.6678 -0.6678 -0.6475 -0.6475 3.0441 3.0441 3.0497 3.0497 3.9112 3.9112 7.8488 7.8488 8.2222 8.2222 9.1054 9.1054 9.2226 9.2226 k = 0.5000-0.7847-1.5451 ( 13162 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7835 -39.7835 -39.7771 -39.7771 -12.4314 -12.4314 -12.4202 -12.4202 -6.6694 -6.6694 -1.8846 -1.8846 -1.8475 -1.8475 -1.7757 -1.7757 -1.4833 -1.4833 -0.6745 -0.6745 -0.6413 -0.6413 3.0295 3.0295 3.0657 3.0657 3.9116 3.9116 7.8182 7.8182 8.3032 8.3032 9.0791 9.0791 9.1702 9.1702 k = 0.8251-0.7225-1.4319 ( 13162 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7835 -39.7835 -39.7771 -39.7771 -12.4314 -12.4314 -12.4202 -12.4202 -6.6694 -6.6694 -1.8846 -1.8846 -1.8475 -1.8475 -1.7757 -1.7757 -1.4833 -1.4833 -0.6745 -0.6745 -0.6413 -0.6413 3.0295 3.0295 3.0657 3.0657 3.9116 3.9116 7.8182 7.8182 8.3032 8.3032 9.0791 9.0791 9.1702 9.1702 k = 0.8193-0.7078-1.4053 ( 13154 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7858 -39.7858 -39.7748 -39.7748 -12.4362 -12.4362 -12.4170 -12.4170 -6.6697 -6.6697 -1.9065 -1.9065 -1.8592 -1.8592 -1.7486 -1.7486 -1.4652 -1.4652 -0.6834 -0.6834 -0.6327 -0.6327 3.0149 3.0149 3.0844 3.0844 3.9111 3.9111 7.7890 7.7890 8.3852 8.3852 9.0546 9.0546 9.1197 9.1197 k = 0.8135-0.6932-1.3787 ( 13160 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7881 -39.7881 -39.7725 -39.7725 -12.4415 -12.4415 -12.4142 -12.4142 -6.6702 -6.6702 -1.9282 -1.9282 -1.8732 -1.8732 -1.7200 -1.7200 -1.4404 -1.4404 -0.6930 -0.6930 -0.6234 -0.6234 3.0024 3.0024 3.1036 3.1036 3.9097 3.9097 7.7620 7.7620 8.4644 8.4644 9.0329 9.0329 9.0744 9.0744 k = 0.8077-0.6786-1.3522 ( 13162 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7905 -39.7905 -39.7701 -39.7701 -12.4474 -12.4474 -12.4119 -12.4119 -6.6709 -6.6709 -1.9481 -1.9481 -1.8886 -1.8886 -1.6909 -1.6909 -1.4105 -1.4105 -0.7027 -0.7027 -0.6137 -0.6137 2.9922 2.9922 3.1235 3.1235 3.9074 3.9074 7.7375 7.7375 8.5378 8.5378 9.0142 9.0142 9.0374 9.0374 k = 0.8019-0.6640-1.3256 ( 13158 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7929 -39.7929 -39.7677 -39.7677 -12.4538 -12.4538 -12.4100 -12.4100 -6.6717 -6.6717 -1.9657 -1.9657 -1.9042 -1.9042 -1.6618 -1.6618 -1.3769 -1.3769 -0.7123 -0.7123 -0.6040 -0.6040 2.9842 2.9842 3.1438 3.1438 3.9039 3.9039 7.7154 7.7154 8.6003 8.6003 8.9986 8.9986 9.0141 9.0141 k = 0.7961-0.6494-1.2990 ( 13164 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7954 -39.7954 -39.7653 -39.7653 -12.4608 -12.4608 -12.4086 -12.4086 -6.6728 -6.6728 -1.9806 -1.9806 -1.9190 -1.9190 -1.6328 -1.6328 -1.3405 -1.3405 -0.7215 -0.7215 -0.5942 -0.5942 2.9786 2.9786 3.1646 3.1646 3.8995 3.8995 7.6959 7.6959 8.6435 8.6435 8.9865 8.9865 9.0125 9.0125 k = 0.7903-0.6348-1.2724 ( 13166 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.7979 -39.7979 -39.7628 -39.7628 -12.4682 -12.4682 -12.4077 -12.4077 -6.6740 -6.6740 -1.9928 -1.9928 -1.9323 -1.9323 -1.6043 -1.6043 -1.3020 -1.3020 -0.7302 -0.7302 -0.5845 -0.5845 2.9753 2.9753 3.1858 3.1858 3.8939 3.8939 7.6789 7.6789 8.6608 8.6608 8.9776 8.9776 9.0398 9.0398 k = 0.7845-0.6202-1.2458 ( 13170 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.8004 -39.8004 -39.7603 -39.7603 -12.4763 -12.4763 -12.4074 -12.4074 -6.6754 -6.6754 -2.0022 -2.0022 -1.9436 -1.9436 -1.5765 -1.5765 -1.2620 -1.2620 -0.7380 -0.7380 -0.5748 -0.5748 2.9744 2.9744 3.2073 3.2073 3.8873 3.8873 7.6646 7.6646 8.6546 8.6546 8.9721 8.9721 9.0936 9.0936 k = 0.7787-0.6056-1.2193 ( 13162 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8029 -39.8029 -39.7578 -39.7578 -12.4848 -12.4848 -12.4075 -12.4075 -6.6771 -6.6771 -2.0087 -2.0087 -1.9524 -1.9524 -1.5497 -1.5497 -1.2208 -1.2208 -0.7449 -0.7449 -0.5654 -0.5654 2.9760 2.9760 3.2291 3.2291 3.8798 3.8798 7.6530 7.6530 8.6338 8.6338 8.9699 8.9699 9.1650 9.1650 k = 0.7728-0.5910-1.1927 ( 13154 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8055 -39.8055 -39.7553 -39.7553 -12.4939 -12.4939 -12.4083 -12.4083 -6.6789 -6.6789 -2.0124 -2.0124 -1.9586 -1.9586 -1.5239 -1.5239 -1.1787 -1.1787 -0.7504 -0.7504 -0.5561 -0.5561 2.9800 2.9800 3.2510 3.2510 3.8713 3.8713 7.6440 7.6440 8.6056 8.6056 8.9711 8.9711 9.2465 9.2465 k = 0.7670-0.5764-1.1661 ( 13156 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8080 -39.8080 -39.7528 -39.7528 -12.5036 -12.5036 -12.4096 -12.4096 -6.6810 -6.6810 -2.0133 -2.0133 -1.9619 -1.9619 -1.4996 -1.4996 -1.1361 -1.1361 -0.7544 -0.7544 -0.5469 -0.5469 2.9864 2.9864 3.2728 3.2728 3.8622 3.8622 7.6376 7.6376 8.5744 8.5744 8.9757 8.9757 9.3339 9.3339 k = 0.7612-0.5617-1.1395 ( 13162 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8106 -39.8106 -39.7502 -39.7502 -12.5137 -12.5137 -12.4115 -12.4115 -6.6832 -6.6832 -2.0114 -2.0114 -1.9622 -1.9622 -1.4769 -1.4769 -1.0929 -1.0929 -0.7565 -0.7565 -0.5380 -0.5380 2.9952 2.9952 3.2943 3.2943 3.8525 3.8525 7.6337 7.6337 8.5422 8.5422 8.9837 8.9837 9.4250 9.4250 k = 0.7554-0.5471-1.1129 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8132 -39.8132 -39.7477 -39.7477 -12.5244 -12.5244 -12.4139 -12.4139 -6.6857 -6.6857 -2.0068 -2.0068 -1.9593 -1.9593 -1.4560 -1.4560 -1.0496 -1.0496 -0.7564 -0.7564 -0.5293 -0.5293 3.0065 3.0065 3.3152 3.3152 3.8426 3.8426 7.6323 7.6323 8.5101 8.5101 8.9951 8.9951 9.5182 9.5182 k = 0.7496-0.5325-1.0863 ( 13166 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8158 -39.8158 -39.7452 -39.7452 -12.5355 -12.5355 -12.4169 -12.4169 -6.6883 -6.6883 -1.9997 -1.9997 -1.9532 -1.9532 -1.4370 -1.4370 -1.0062 -1.0062 -0.7540 -0.7540 -0.5208 -0.5208 3.0202 3.0202 3.3352 3.3352 3.8328 3.8328 7.6331 7.6331 8.4789 8.4789 9.0098 9.0098 9.6129 9.6129 k = 0.7438-0.5179-1.0598 ( 13172 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8184 -39.8184 -39.7426 -39.7426 -12.5471 -12.5471 -12.4205 -12.4205 -6.6912 -6.6912 -1.9902 -1.9902 -1.9438 -1.9438 -1.4200 -1.4200 -0.9628 -0.9628 -0.7491 -0.7491 -0.5125 -0.5125 3.0362 3.0362 3.3539 3.3539 3.8238 3.8238 7.6361 7.6361 8.4489 8.4489 9.0277 9.0277 9.7081 9.7081 k = 0.7380-0.5033-1.0332 ( 13170 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8209 -39.8209 -39.7401 -39.7401 -12.5592 -12.5592 -12.4247 -12.4247 -6.6942 -6.6942 -1.9785 -1.9785 -1.9311 -1.9311 -1.4051 -1.4051 -0.9198 -0.9198 -0.7414 -0.7414 -0.5043 -0.5043 3.0547 3.0547 3.3705 3.3705 3.8159 3.8159 7.6411 7.6411 8.4201 8.4201 9.0488 9.0488 9.8029 9.8029 k = 0.7322-0.4887-1.0066 ( 13162 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8235 -39.8235 -39.7376 -39.7376 -12.5716 -12.5716 -12.4294 -12.4294 -6.6974 -6.6974 -1.9648 -1.9648 -1.9151 -1.9151 -1.3919 -1.3919 -0.8771 -0.8771 -0.7311 -0.7311 -0.4962 -0.4962 3.0755 3.0755 3.3846 3.3846 3.8101 3.8101 7.6477 7.6477 8.3927 8.3927 9.0729 9.0729 9.8204 9.8204 k = 0.7264-0.4741-0.9800 ( 13156 PWs) bands (ev): -43.2741 -43.2741 -41.2830 -41.2830 -41.2827 -41.2827 -39.8261 -39.8261 -39.7351 -39.7351 -12.5845 -12.5845 -12.4346 -12.4346 -6.7008 -6.7008 -1.9495 -1.9495 -1.8958 -1.8958 -1.3802 -1.3802 -0.8351 -0.8351 -0.7180 -0.7180 -0.4881 -0.4881 3.0986 3.0986 3.3953 3.3953 3.8071 3.8071 7.6559 7.6559 8.3666 8.3666 9.0999 9.0999 9.7927 9.7927 k = 0.7206-0.4595-0.9534 ( 13152 PWs) bands (ev): -43.2742 -43.2742 -41.2830 -41.2830 -41.2827 -41.2827 -39.8287 -39.8287 -39.7326 -39.7326 -12.5977 -12.5977 -12.4403 -12.4403 -6.7044 -6.7044 -1.9328 -1.9328 -1.8733 -1.8733 -1.3696 -1.3696 -0.7938 -0.7938 -0.7023 -0.7023 -0.4800 -0.4800 3.1239 3.1239 3.4019 3.4019 3.8076 3.8076 7.6652 7.6652 8.3418 8.3418 9.1296 9.1296 9.7673 9.7673 k = 0.7148-0.4449-0.9269 ( 13132 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2827 -41.2827 -39.8312 -39.8312 -39.7301 -39.7301 -12.6112 -12.6112 -12.4465 -12.4465 -6.7081 -6.7081 -1.9152 -1.9152 -1.8476 -1.8476 -1.3596 -1.3596 -0.7537 -0.7537 -0.6843 -0.6843 -0.4716 -0.4716 3.1515 3.1515 3.4040 3.4040 3.8122 3.8122 7.6753 7.6753 8.3182 8.3182 9.1619 9.1619 9.7446 9.7446 k = 0.7090-0.4303-0.9003 ( 13134 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8337 -39.8337 -39.7276 -39.7276 -12.6250 -12.6250 -12.4532 -12.4532 -6.7119 -6.7119 -1.8973 -1.8973 -1.8187 -1.8187 -1.3493 -1.3493 -0.7150 -0.7150 -0.6641 -0.6641 -0.4627 -0.4627 3.1813 3.1813 3.4014 3.4014 3.8212 3.8212 7.6860 7.6860 8.2956 8.2956 9.1966 9.1966 9.7246 9.7246 k = 0.7032-0.4156-0.8737 ( 13144 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8362 -39.8362 -39.7252 -39.7252 -12.6390 -12.6390 -12.4603 -12.4603 -6.7159 -6.7159 -1.8797 -1.8797 -1.7868 -1.7868 -1.3381 -1.3381 -0.6782 -0.6782 -0.6418 -0.6418 -0.4530 -0.4530 3.2133 3.2133 3.3940 3.3940 3.8346 3.8346 7.6968 7.6968 8.2738 8.2738 9.2333 9.2333 9.7076 9.7076 k = 0.6974-0.4010-0.8471 ( 13152 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8387 -39.8387 -39.7228 -39.7228 -12.6533 -12.6533 -12.4678 -12.4678 -6.7201 -6.7201 -1.8629 -1.8629 -1.7519 -1.7519 -1.3250 -1.3250 -0.6439 -0.6439 -0.6178 -0.6178 -0.4421 -0.4421 3.2473 3.2473 3.3824 3.3824 3.8520 3.8520 7.7074 7.7074 8.2527 8.2527 9.2718 9.2718 9.6938 9.6938 k = 0.6916-0.3864-0.8205 ( 13150 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2830 -41.2830 -39.8412 -39.8412 -39.7204 -39.7204 -12.6678 -12.6678 -12.4757 -12.4757 -6.7243 -6.7243 -1.8478 -1.8478 -1.7141 -1.7141 -1.3093 -1.3093 -0.6130 -0.6130 -0.5920 -0.5920 -0.4293 -0.4293 3.2833 3.2833 3.3672 3.3672 3.8729 3.8729 7.7174 7.7174 8.2321 8.2321 9.3115 9.3115 9.6834 9.6834 k = 0.6858-0.3718-0.7940 ( 13144 PWs) bands (ev): -43.2744 -43.2744 -41.2834 -41.2834 -41.2830 -41.2830 -39.8436 -39.8436 -39.7181 -39.7181 -12.6824 -12.6824 -12.4839 -12.4839 -6.7286 -6.7286 -1.8348 -1.8348 -1.6735 -1.6735 -1.2902 -1.2902 -0.5860 -0.5860 -0.5649 -0.5649 -0.4141 -0.4141 3.3212 3.3212 3.3490 3.3490 3.8968 3.8968 7.7262 7.7262 8.2116 8.2116 9.3518 9.3518 9.6767 9.6767 k = 0.6800-0.3572-0.7674 ( 13138 PWs) bands (ev): -43.2745 -43.2745 -41.2834 -41.2834 -41.2831 -41.2831 -39.8459 -39.8459 -39.7158 -39.7158 -12.6971 -12.6971 -12.4924 -12.4924 -6.7330 -6.7330 -1.8244 -1.8244 -1.6302 -1.6302 -1.2670 -1.2670 -0.5626 -0.5626 -0.5376 -0.5376 -0.3959 -0.3959 3.3278 3.3278 3.3615 3.3615 3.9231 3.9231 7.7336 7.7336 8.1910 8.1910 9.3918 9.3918 9.6518 9.6518 k = 0.6742-0.3426-0.7408 ( 13126 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2831 -41.2831 -39.8483 -39.8483 -39.7135 -39.7135 -12.7118 -12.7118 -12.5012 -12.5012 -6.7375 -6.7375 -1.8170 -1.8170 -1.5844 -1.5844 -1.2395 -1.2395 -0.5429 -0.5429 -0.5104 -0.5104 -0.3745 -0.3745 3.3052 3.3052 3.4031 3.4031 3.9514 3.9514 7.7391 7.7391 8.1701 8.1701 9.4303 9.4303 9.5643 9.5643 k = 0.6684-0.3280-0.7142 ( 13124 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2832 -41.2832 -39.8506 -39.8506 -39.7113 -39.7113 -12.7266 -12.7266 -12.5103 -12.5103 -6.7420 -6.7420 -1.8127 -1.8127 -1.5363 -1.5363 -1.2074 -1.2074 -0.5270 -0.5270 -0.4832 -0.4832 -0.3504 -0.3504 3.2811 3.2811 3.4466 3.4466 3.9811 3.9811 7.7422 7.7422 8.1484 8.1484 9.4622 9.4622 9.4802 9.4802 k = 0.6625-0.3134-0.6876 ( 13134 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2833 -41.2833 -39.8528 -39.8528 -39.7091 -39.7091 -12.7413 -12.7413 -12.5195 -12.5195 -6.7466 -6.7466 -1.8114 -1.8114 -1.4859 -1.4859 -1.1708 -1.1708 -0.5144 -0.5144 -0.4558 -0.4558 -0.3241 -0.3241 3.2558 3.2558 3.4917 3.4917 4.0121 4.0121 7.7426 7.7426 8.1258 8.1258 9.3880 9.3880 9.4986 9.4986 k = 0.6567-0.2988-0.6611 ( 13130 PWs) bands (ev): -43.2747 -43.2747 -41.2837 -41.2837 -41.2833 -41.2833 -39.8550 -39.8550 -39.7070 -39.7070 -12.7559 -12.7559 -12.5289 -12.5289 -6.7511 -6.7511 -1.8128 -1.8128 -1.4336 -1.4336 -1.1299 -1.1299 -0.5044 -0.5044 -0.4284 -0.4284 -0.2966 -0.2966 3.2298 3.2298 3.5383 3.5383 4.0440 4.0440 7.7399 7.7399 8.1018 8.1018 9.3020 9.3020 9.5247 9.5247 k = 0.6509-0.2842-0.6345 ( 13128 PWs) bands (ev): -43.2747 -43.2747 -41.2838 -41.2838 -41.2834 -41.2834 -39.8572 -39.8572 -39.7049 -39.7049 -12.7705 -12.7705 -12.5383 -12.5383 -6.7557 -6.7557 -1.8166 -1.8166 -1.3795 -1.3795 -1.0852 -1.0852 -0.4962 -0.4962 -0.4011 -0.4011 -0.2685 -0.2685 3.2032 3.2032 3.5864 3.5864 4.0765 4.0765 7.7338 7.7338 8.0762 8.0762 9.2172 9.2172 9.5464 9.5464 k = 0.6451-0.2695-0.6079 ( 13128 PWs) bands (ev): -43.2748 -43.2748 -41.2838 -41.2838 -41.2834 -41.2834 -39.8593 -39.8593 -39.7029 -39.7029 -12.7849 -12.7849 -12.5479 -12.5479 -6.7603 -6.7603 -1.8224 -1.8224 -1.3239 -1.3239 -1.0371 -1.0371 -0.4893 -0.4893 -0.3740 -0.3740 -0.2403 -0.2403 3.1764 3.1764 3.6358 3.6358 4.1094 4.1094 7.7240 7.7240 8.0485 8.0485 9.1338 9.1338 9.5648 9.5648 k = 0.6393-0.2549-0.5813 ( 13126 PWs) bands (ev): -43.2748 -43.2748 -41.2839 -41.2839 -41.2835 -41.2835 -39.8613 -39.8613 -39.7009 -39.7009 -12.7991 -12.7991 -12.5574 -12.5574 -6.7649 -6.7649 -1.8299 -1.8299 -1.2671 -1.2671 -0.9860 -0.9860 -0.4832 -0.4832 -0.3473 -0.3473 -0.2124 -0.2124 3.1495 3.1495 3.6864 3.6864 4.1426 4.1426 7.7103 7.7103 8.0185 8.0185 9.0522 9.0522 9.5815 9.5815 k = 0.6335-0.2403-0.5547 ( 13132 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2836 -41.2836 -39.8633 -39.8633 -39.6990 -39.6990 -12.8130 -12.8130 -12.5670 -12.5670 -6.7694 -6.7694 -1.8387 -1.8387 -1.2094 -1.2094 -0.9324 -0.9324 -0.4776 -0.4776 -0.3210 -0.3210 -0.1851 -0.1851 3.1227 3.1227 3.7380 3.7380 4.1759 4.1759 7.6927 7.6927 7.9857 7.9857 8.9728 8.9728 9.5976 9.5976 k = 0.6277-0.2257-0.5282 ( 13124 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2836 -41.2836 -39.8652 -39.8652 -39.6972 -39.6972 -12.8267 -12.8267 -12.5765 -12.5765 -6.7739 -6.7739 -1.8485 -1.8485 -1.1511 -1.1511 -0.8767 -0.8767 -0.4721 -0.4721 -0.2953 -0.2953 -0.1586 -0.1586 3.0961 3.0961 3.7906 3.7906 4.2090 4.2090 7.6710 7.6710 7.9500 7.9500 8.8958 8.8958 9.6140 9.6140 k = 0.6219-0.2111-0.5016 ( 13120 PWs) bands (ev): -43.2750 -43.2750 -41.2841 -41.2841 -41.2837 -41.2837 -39.8671 -39.8671 -39.6954 -39.6954 -12.8401 -12.8401 -12.5859 -12.5859 -6.7782 -6.7782 -1.8590 -1.8590 -1.0927 -1.0927 -0.8195 -0.8195 -0.4663 -0.4663 -0.2703 -0.2703 -0.1331 -0.1331 3.0699 3.0699 3.8438 3.8438 4.2419 4.2419 7.6454 7.6454 7.9111 7.9111 8.8215 8.8215 9.6311 9.6311 k = 0.6161-0.1965-0.4750 ( 13122 PWs) bands (ev): -43.2750 -43.2750 -41.2842 -41.2842 -41.2837 -41.2837 -39.8689 -39.8689 -39.6937 -39.6937 -12.8531 -12.8531 -12.5951 -12.5951 -6.7825 -6.7825 -1.8700 -1.8700 -1.0346 -1.0346 -0.7612 -0.7612 -0.4599 -0.4599 -0.2459 -0.2459 -0.1086 -0.1086 3.0442 3.0442 3.8976 3.8976 4.2744 4.2744 7.6160 7.6160 7.8688 7.8688 8.7503 8.7503 9.6493 9.6493 k = 0.6103-0.1819-0.4484 ( 13116 PWs) bands (ev): -43.2751 -43.2751 -41.2842 -41.2842 -41.2838 -41.2838 -39.8706 -39.8706 -39.6921 -39.6921 -12.8657 -12.8657 -12.6042 -12.6042 -6.7867 -6.7867 -1.8813 -1.8813 -0.9775 -0.9775 -0.7022 -0.7022 -0.4525 -0.4525 -0.2223 -0.2223 -0.0852 -0.0852 3.0191 3.0191 3.9517 3.9517 4.3064 4.3064 7.5830 7.5830 7.8230 7.8230 8.6824 8.6824 9.6687 9.6687 k = 0.6045-0.1673-0.4218 ( 13110 PWs) bands (ev): -43.2751 -43.2751 -41.2843 -41.2843 -41.2838 -41.2838 -39.8722 -39.8722 -39.6905 -39.6905 -12.8779 -12.8779 -12.6130 -12.6130 -6.7908 -6.7908 -1.8927 -1.8927 -0.9220 -0.9220 -0.6430 -0.6430 -0.4435 -0.4435 -0.1995 -0.1995 -0.0630 -0.0630 2.9947 2.9947 4.0060 4.0060 4.3377 4.3377 7.5469 7.5469 7.7738 7.7738 8.6180 8.6180 9.6893 9.6893 k = 0.5987-0.1527-0.3953 ( 13108 PWs) bands (ev): -43.2751 -43.2751 -41.2844 -41.2844 -41.2839 -41.2839 -39.8738 -39.8738 -39.6890 -39.6890 -12.8896 -12.8896 -12.6216 -12.6216 -6.7948 -6.7948 -1.9041 -1.9041 -0.8690 -0.8690 -0.5842 -0.5842 -0.4323 -0.4323 -0.1775 -0.1775 -0.0419 -0.0419 2.9711 2.9711 4.0601 4.0601 4.3683 4.3683 7.5079 7.5079 7.7215 7.7215 8.5573 8.5573 9.7110 9.7110 k = 0.5929-0.1381-0.3687 ( 13122 PWs) bands (ev): -43.2752 -43.2752 -41.2844 -41.2844 -41.2839 -41.2839 -39.8753 -39.8753 -39.6876 -39.6876 -12.9009 -12.9009 -12.6299 -12.6299 -6.7986 -6.7986 -1.9154 -1.9154 -0.8195 -0.8195 -0.5266 -0.5266 -0.4177 -0.4177 -0.1564 -0.1564 -0.0221 -0.0221 2.9483 2.9483 4.1139 4.1139 4.3979 4.3979 7.4665 7.4665 7.6663 7.6663 8.5003 8.5003 9.7339 9.7339 k = 0.5871-0.1234-0.3421 ( 13120 PWs) bands (ev): -43.2752 -43.2752 -41.2845 -41.2845 -41.2840 -41.2840 -39.8767 -39.8767 -39.6863 -39.6863 -12.9116 -12.9116 -12.6379 -12.6379 -6.8022 -6.8022 -1.9264 -1.9264 -0.7744 -0.7744 -0.4715 -0.4715 -0.3983 -0.3983 -0.1361 -0.1361 -0.0035 -0.0035 2.9265 2.9265 4.1671 4.1671 4.4264 4.4264 7.4234 7.4234 7.6090 7.6090 8.4469 8.4469 9.7577 9.7577 k = 0.5813-0.1088-0.3155 ( 13130 PWs) bands (ev): -43.2753 -43.2753 -41.2845 -41.2845 -41.2840 -41.2840 -39.8780 -39.8780 -39.6850 -39.6850 -12.9218 -12.9218 -12.6455 -12.6455 -6.8057 -6.8057 -1.9370 -1.9370 -0.7348 -0.7348 -0.4215 -0.4215 -0.3711 -0.3711 -0.1165 -0.1165 0.0139 0.0139 2.9057 2.9057 4.2193 4.2193 4.4538 4.4538 7.3790 7.3790 7.5500 7.5500 8.3972 8.3972 9.7823 9.7823 k = 0.5755-0.0942-0.2889 ( 13122 PWs) bands (ev): -43.2753 -43.2753 -41.2846 -41.2846 -41.2841 -41.2841 -39.8793 -39.8793 -39.6838 -39.6838 -12.9314 -12.9314 -12.6528 -12.6528 -6.8090 -6.8090 -1.9472 -1.9472 -0.7014 -0.7014 -0.3799 -0.3799 -0.3331 -0.3331 -0.0978 -0.0978 0.0300 0.0300 2.8860 2.8860 4.2702 4.2702 4.4799 4.4799 7.3340 7.3340 7.4901 7.4901 8.3508 8.3508 9.8076 9.8076 k = 0.5697-0.0796-0.2624 ( 13136 PWs) bands (ev): -43.2754 -43.2754 -41.2846 -41.2846 -41.2841 -41.2841 -39.8804 -39.8804 -39.6827 -39.6827 -12.9404 -12.9404 -12.6596 -12.6596 -6.8120 -6.8120 -1.9569 -1.9569 -0.6742 -0.6742 -0.3442 -0.3442 -0.2877 -0.2877 -0.0796 -0.0796 0.0450 0.0450 2.8674 2.8674 4.3196 4.3196 4.5046 4.5046 7.2890 7.2890 7.4302 7.4302 8.3079 8.3079 9.8331 9.8331 k = 0.5639-0.0650-0.2358 ( 13142 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8815 -39.8815 -39.6817 -39.6817 -12.9487 -12.9487 -12.6660 -12.6660 -6.8149 -6.8149 -1.9660 -1.9660 -0.6528 -0.6528 -0.3093 -0.3093 -0.2413 -0.2413 -0.0620 -0.0620 0.0587 0.0587 2.8500 2.8500 4.3671 4.3671 4.5278 4.5278 7.2447 7.2447 7.3710 7.3710 8.2682 8.2682 9.8589 9.8589 k = 0.5581-0.0504-0.2092 ( 13130 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8825 -39.8825 -39.6808 -39.6808 -12.9564 -12.9564 -12.6719 -12.6719 -6.8176 -6.8176 -1.9744 -1.9744 -0.6364 -0.6364 -0.2740 -0.2740 -0.1970 -0.1970 -0.0447 -0.0447 0.0714 0.0714 2.8338 2.8338 4.4123 4.4123 4.5493 4.5493 7.2016 7.2016 7.3135 7.3135 8.2316 8.2316 9.8845 9.8845 k = 0.5522-0.0358-0.1826 ( 13142 PWs) bands (ev): -43.2754 -43.2754 -41.2848 -41.2848 -41.2842 -41.2842 -39.8834 -39.8834 -39.6799 -39.6799 -12.9635 -12.9635 -12.6773 -12.6773 -6.8200 -6.8200 -1.9822 -1.9822 -0.6239 -0.6239 -0.2390 -0.2390 -0.1564 -0.1564 -0.0274 -0.0274 0.0830 0.0830 2.8190 2.8190 4.4548 4.4548 4.5692 4.5692 7.1603 7.1603 7.2585 7.2585 8.1982 8.1982 9.9097 9.9097 k = 0.5464-0.0212-0.1560 ( 13156 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8842 -39.8842 -39.6792 -39.6792 -12.9698 -12.9698 -12.6822 -12.6822 -6.8222 -6.8222 -1.9893 -1.9893 -0.6145 -0.6145 -0.2052 -0.2052 -0.1202 -0.1202 -0.0101 -0.0101 0.0937 0.0937 2.8055 2.8055 4.4942 4.4942 4.5872 4.5872 7.1216 7.1216 7.2067 7.2067 8.1679 8.1679 9.9343 9.9343 k = 0.5406-0.0066-0.1295 ( 13162 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8849 -39.8849 -39.6785 -39.6785 -12.9755 -12.9755 -12.6866 -12.6866 -6.8242 -6.8242 -1.9956 -1.9956 -0.6074 -0.6074 -0.1739 -0.1739 -0.0891 -0.0891 0.0072 0.0072 0.1036 0.1036 2.7935 2.7935 4.5301 4.5301 4.6034 4.6034 7.0860 7.0860 7.1590 7.1590 8.1408 8.1408 9.9580 9.9580 k = 0.5348 0.0080-0.1029 ( 13174 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8855 -39.8855 -39.6779 -39.6779 -12.9804 -12.9804 -12.6904 -12.6904 -6.8259 -6.8259 -2.0011 -2.0011 -0.6021 -0.6021 -0.1459 -0.1459 -0.0629 -0.0629 0.0238 0.0238 0.1130 0.1130 2.7830 2.7830 4.5622 4.5622 4.6176 4.6176 7.0539 7.0539 7.1161 7.1161 8.1170 8.1170 9.9805 9.9805 k = 0.5290 0.0226-0.0763 ( 13178 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8860 -39.8860 -39.6774 -39.6774 -12.9846 -12.9846 -12.6937 -12.6937 -6.8274 -6.8274 -2.0058 -2.0058 -0.5982 -0.5982 -0.1222 -0.1222 -0.0410 -0.0410 0.0388 0.0388 0.1221 0.1221 2.7740 2.7740 4.5900 4.5900 4.6298 4.6298 7.0259 7.0259 7.0786 7.0786 8.0966 8.0966 10.0015 10.0015 k = 0.5232 0.0373-0.0497 ( 13184 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8865 -39.8865 -39.6770 -39.6770 -12.9880 -12.9880 -12.6964 -12.6964 -6.8286 -6.8286 -2.0097 -2.0097 -0.5953 -0.5953 -0.1030 -0.1030 -0.0227 -0.0227 0.0509 0.0509 0.1309 0.1309 2.7665 2.7665 4.6131 4.6131 4.6401 4.6401 7.0024 7.0024 7.0470 7.0470 8.0797 8.0797 10.0205 10.0205 k = 0.5174 0.0519-0.0231 ( 13194 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8868 -39.8868 -39.6767 -39.6767 -12.9907 -12.9907 -12.6985 -12.6985 -6.8295 -6.8295 -2.0128 -2.0128 -0.5932 -0.5932 -0.0887 -0.0887 -0.0077 -0.0077 0.0595 0.0595 0.1388 0.1388 2.7607 2.7607 4.6311 4.6311 4.6485 4.6485 6.9837 6.9837 7.0220 7.0220 8.0663 8.0663 10.0369 10.0370 k = 0.5116 0.0665 0.0034 ( 13192 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8871 -39.8871 -39.6765 -39.6765 -12.9926 -12.9926 -12.7000 -12.7000 -6.8302 -6.8302 -2.0150 -2.0150 -0.5919 -0.5919 -0.0788 -0.0788 0.0038 0.0038 0.0649 0.0649 0.1454 0.1454 2.7565 2.7565 4.6434 4.6434 4.6552 4.6552 6.9701 6.9701 7.0038 7.0038 8.0568 8.0568 10.0502 10.0502 k = 0.5058 0.0811 0.0300 ( 13182 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9938 -12.9938 -12.7009 -12.7009 -6.8306 -6.8306 -2.0163 -2.0163 -0.5911 -0.5911 -0.0731 -0.0731 0.0112 0.0112 0.0677 0.0677 0.1496 0.1496 2.7540 2.7540 4.6500 4.6500 4.6601 4.6601 6.9619 6.9619 6.9927 6.9927 8.0510 8.0510 10.0590 10.0590 k = 0.5000 0.0957 0.0566 ( 13180 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8308 -6.8308 -2.0167 -2.0167 -0.5908 -0.5908 -0.0712 -0.0712 0.0138 0.0138 0.0685 0.0685 0.1511 0.1511 2.7532 2.7532 4.6520 4.6520 4.6620 4.6620 6.9592 6.9592 6.9890 6.9890 8.0490 8.0490 10.0620 10.0622 k = 0.5000 0.0957 0.0566 ( 13180 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8308 -6.8308 -2.0167 -2.0167 -0.5908 -0.5908 -0.0712 -0.0712 0.0138 0.0138 0.0685 0.0685 0.1511 0.1511 2.7532 2.7532 4.6520 4.6520 4.6620 4.6620 6.9592 6.9592 6.9890 6.9890 8.0490 8.0490 10.0620 10.0623 k = 0.4706 0.0901 0.0533 ( 13180 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8308 -6.8308 -2.0162 -2.0162 -0.5919 -0.5919 -0.0712 -0.0712 0.0138 0.0138 0.0684 0.0684 0.1511 0.1511 2.7546 2.7546 4.6520 4.6520 4.6620 4.6620 6.9331 6.9331 7.0104 7.0104 8.0553 8.0553 10.0626 10.0629 k = 0.4412 0.0844 0.0499 ( 13156 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8308 -6.8308 -2.0145 -2.0145 -0.5952 -0.5952 -0.0712 -0.0712 0.0138 0.0138 0.0684 0.0684 0.1511 0.1511 2.7589 2.7589 4.6520 4.6520 4.6619 4.6619 6.8924 6.8924 7.0374 7.0374 8.0737 8.0737 10.0648 10.0649 k = 0.4118 0.0788 0.0466 ( 13150 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8309 -6.8309 -2.0118 -2.0118 -0.6006 -0.6006 -0.0712 -0.0712 0.0139 0.0139 0.0683 0.0683 0.1511 0.1511 2.7658 2.7658 4.6520 4.6520 4.6619 4.6619 6.8474 6.8474 7.0607 7.0607 8.1033 8.1033 10.0679 10.0682 k = 0.3824 0.0732 0.0433 ( 13138 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8310 -6.8310 -2.0082 -2.0082 -0.6079 -0.6079 -0.0711 -0.0711 0.0139 0.0139 0.0682 0.0682 0.1511 0.1511 2.7753 2.7753 4.6519 4.6519 4.6619 4.6619 6.7996 6.7996 7.0800 7.0800 8.1428 8.1428 10.0724 10.0726 k = 0.3529 0.0676 0.0400 ( 13141 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8311 -6.8311 -2.0037 -2.0037 -0.6168 -0.6168 -0.0711 -0.0711 0.0139 0.0139 0.0681 0.0681 0.1510 0.1510 2.7868 2.7868 4.6519 4.6519 4.6618 4.6618 6.7503 6.7503 7.0958 7.0958 8.1904 8.1904 10.0832 10.0832 k = 0.3235 0.0619 0.0366 ( 13126 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8312 -6.8312 -1.9984 -1.9984 -0.6271 -0.6271 -0.0711 -0.0711 0.0140 0.0140 0.0679 0.0679 0.1510 0.1510 2.8002 2.8002 4.6518 4.6518 4.6618 4.6618 6.7006 6.7006 7.1086 7.1086 8.2445 8.2445 10.0553 10.0553 k = 0.2941 0.0563 0.0333 ( 13123 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8313 -6.8313 -1.9926 -1.9926 -0.6385 -0.6385 -0.0710 -0.0710 0.0140 0.0140 0.0678 0.0678 0.1509 0.1509 2.8149 2.8149 4.6517 4.6517 4.6617 4.6617 6.6516 6.6516 7.1190 7.1190 8.3034 8.3034 10.0232 10.0232 k = 0.2647 0.0507 0.0300 ( 13126 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8315 -6.8315 -1.9864 -1.9864 -0.6505 -0.6505 -0.0709 -0.0709 0.0141 0.0141 0.0676 0.0676 0.1509 0.1509 2.8305 2.8305 4.6517 4.6517 4.6616 4.6616 6.6041 6.6041 7.1273 7.1273 8.3654 8.3654 9.9876 9.9876 k = 0.2353 0.0450 0.0266 ( 13147 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8316 -6.8316 -1.9800 -1.9800 -0.6628 -0.6628 -0.0709 -0.0709 0.0141 0.0141 0.0674 0.0674 0.1508 0.1508 2.8464 2.8464 4.6516 4.6516 4.6615 4.6615 6.5590 6.5590 7.1340 7.1340 8.4291 8.4291 9.9491 9.9491 k = 0.2059 0.0394 0.0233 ( 13165 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8317 -6.8317 -1.9735 -1.9735 -0.6749 -0.6749 -0.0708 -0.0708 0.0141 0.0141 0.0673 0.0673 0.1508 0.1508 2.8621 2.8621 4.6515 4.6515 4.6615 4.6615 6.5173 6.5173 7.1395 7.1395 8.4929 8.4929 9.9087 9.9087 k = 0.1765 0.0338 0.0200 ( 13150 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8319 -6.8319 -1.9674 -1.9674 -0.6865 -0.6865 -0.0708 -0.0708 0.0142 0.0142 0.0671 0.0671 0.1507 0.1507 2.8770 2.8770 4.6515 4.6515 4.6614 4.6614 6.4795 6.4795 7.1438 7.1438 8.5551 8.5551 9.8674 9.8674 k = 0.1471 0.0281 0.0166 ( 13177 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8320 -6.8320 -1.9617 -1.9617 -0.6971 -0.6971 -0.0707 -0.0707 0.0142 0.0142 0.0670 0.0670 0.1507 0.1507 2.8907 2.8907 4.6514 4.6514 4.6613 4.6613 6.4464 6.4464 7.1473 7.1473 8.6139 8.6139 9.8267 9.8267 k = 0.1176 0.0225 0.0133 ( 13189 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8321 -6.8321 -1.9566 -1.9566 -0.7063 -0.7063 -0.0707 -0.0707 0.0143 0.0143 0.0669 0.0669 0.1507 0.1507 2.9026 2.9026 4.6513 4.6513 4.6613 4.6613 6.4184 6.4184 7.1499 7.1499 8.6673 8.6673 9.7883 9.7883 k = 0.0882 0.0169 0.0100 ( 13189 PWs) bands (ev): -43.2756 -43.2756 -41.2850 -41.2850 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8322 -6.8322 -1.9525 -1.9525 -0.7139 -0.7139 -0.0707 -0.0707 0.0143 0.0143 0.0668 0.0668 0.1506 0.1506 2.9124 2.9124 4.6513 4.6513 4.6612 4.6612 6.3962 6.3962 7.1519 7.1519 8.7130 8.7130 9.7545 9.7545 k = 0.0588 0.0113 0.0067 ( 13192 PWs) bands (ev): -43.2756 -43.2756 -41.2850 -41.2850 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8322 -6.8322 -1.9494 -1.9494 -0.7195 -0.7195 -0.0706 -0.0706 0.0143 0.0143 0.0667 0.0667 0.1506 0.1506 2.9197 2.9197 4.6513 4.6513 4.6612 4.6612 6.3800 6.3800 7.1533 7.1533 8.7484 8.7484 9.7277 9.7277 k = 0.0294 0.0056 0.0033 ( 13177 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8323 -6.8323 -1.9475 -1.9475 -0.7229 -0.7229 -0.0706 -0.0706 0.0143 0.0143 0.0667 0.0667 0.1506 0.1506 2.9241 2.9241 4.6512 4.6512 4.6612 4.6612 6.3702 6.3702 7.1541 7.1541 8.7709 8.7709 9.7104 9.7104 k = 0.0000 0.0000 0.0000 ( 13187 PWs) bands (ev): -43.2756 -43.2756 -41.2850 -41.2850 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8323 -6.8323 -1.9468 -1.9468 -0.7241 -0.7241 -0.0706 -0.0706 0.0143 0.0143 0.0667 0.0667 0.1506 0.1506 2.9256 2.9256 4.6512 4.6512 4.6612 4.6612 6.3669 6.3669 7.1544 7.1544 8.7787 8.7787 9.7044 9.7044 k = 0.0000 0.0000 0.0000 ( 13187 PWs) bands (ev): -43.2756 -43.2756 -41.2850 -41.2850 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9941 -12.9941 -12.7012 -12.7012 -6.8323 -6.8323 -1.9468 -1.9468 -0.7241 -0.7241 -0.0706 -0.0706 0.0143 0.0143 0.0667 0.0667 0.1506 0.1506 2.9256 2.9256 4.6512 4.6512 4.6612 4.6612 6.3669 6.3669 7.1544 7.1544 8.7787 8.7787 9.7044 9.7044 k = 0.0058-0.0146-0.0266 ( 13187 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9937 -12.9937 -12.7009 -12.7009 -6.8321 -6.8321 -1.9465 -1.9465 -0.7242 -0.7242 -0.0725 -0.0725 0.0117 0.0117 0.0659 0.0659 0.1491 0.1491 2.9261 2.9261 4.6490 4.6490 4.6591 4.6591 6.3707 6.3707 7.1582 7.1582 8.7812 8.7812 9.7017 9.7017 k = 0.0116-0.0293-0.0533 ( 13183 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8870 -39.8870 -39.6765 -39.6765 -12.9926 -12.9926 -12.7000 -12.7000 -6.8317 -6.8317 -1.9454 -1.9454 -0.7244 -0.7244 -0.0783 -0.0783 0.0042 0.0042 0.0633 0.0633 0.1449 0.1449 2.9277 2.9277 4.6414 4.6414 4.6541 4.6541 6.3818 6.3818 7.1697 7.1697 8.7889 8.7889 9.6939 9.6939 k = 0.0175-0.0439-0.0799 ( 13181 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8868 -39.8868 -39.6767 -39.6767 -12.9907 -12.9907 -12.6985 -12.6985 -6.8310 -6.8310 -1.9435 -1.9435 -0.7248 -0.7248 -0.0884 -0.0884 -0.0074 -0.0074 0.0580 0.0580 0.1384 0.1384 2.9304 2.9304 4.6273 4.6273 4.6475 4.6475 6.4002 6.4002 7.1887 7.1887 8.8014 8.8014 9.6809 9.6809 k = 0.0233-0.0586-0.1066 ( 13165 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2844 -41.2844 -39.8865 -39.8865 -39.6770 -39.6770 -12.9880 -12.9880 -12.6964 -12.6964 -6.8301 -6.8301 -1.9409 -1.9409 -0.7255 -0.7255 -0.1031 -0.1031 -0.0225 -0.0225 0.0495 0.0495 0.1304 0.1304 2.9341 2.9341 4.6069 4.6069 4.6392 4.6392 6.4254 6.4254 7.2149 7.2149 8.8189 8.8189 9.6629 9.6629 k = 0.0291-0.0732-0.1332 ( 13161 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8860 -39.8860 -39.6774 -39.6774 -12.9845 -12.9845 -12.6937 -12.6937 -6.8289 -6.8289 -1.9377 -1.9377 -0.7265 -0.7265 -0.1227 -0.1227 -0.0409 -0.0409 0.0377 0.0377 0.1216 0.1216 2.9388 2.9388 4.5810 4.5810 4.6290 4.6290 6.4571 6.4571 7.2481 7.2481 8.8409 8.8409 9.6403 9.6403 k = 0.0349-0.0879-0.1598 ( 13171 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8855 -39.8855 -39.6779 -39.6779 -12.9803 -12.9803 -12.6904 -12.6904 -6.8274 -6.8274 -1.9337 -1.9337 -0.7281 -0.7281 -0.1472 -0.1472 -0.0627 -0.0627 0.0230 0.0230 0.1124 0.1124 2.9446 2.9446 4.5501 4.5501 4.6169 4.6169 6.4947 6.4947 7.2879 7.2879 8.8673 8.8673 9.6134 9.6134 k = 0.0407-0.1025-0.1865 ( 13157 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8849 -39.8849 -39.6785 -39.6785 -12.9754 -12.9754 -12.6866 -12.6866 -6.8256 -6.8256 -1.9290 -1.9290 -0.7304 -0.7304 -0.1763 -0.1763 -0.0888 -0.0888 0.0066 0.0066 0.1028 0.1028 2.9514 2.9514 4.5149 4.5149 4.6028 4.6028 6.5377 6.5377 7.3337 7.3337 8.8977 8.8977 9.5825 9.5825 k = 0.0465-0.1171-0.2131 ( 13149 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8842 -39.8842 -39.6792 -39.6792 -12.9697 -12.9697 -12.6822 -12.6822 -6.8236 -6.8236 -1.9237 -1.9237 -0.7338 -0.7338 -0.2091 -0.2091 -0.1198 -0.1198 -0.0105 -0.0105 0.0927 0.0927 2.9592 2.9592 4.4758 4.4758 4.5868 4.5868 6.5856 6.5856 7.3850 7.3850 8.9319 8.9319 9.5481 9.5481 k = 0.0524-0.1318-0.2398 ( 13151 PWs) bands (ev): -43.2754 -43.2754 -41.2848 -41.2848 -41.2842 -41.2842 -39.8834 -39.8834 -39.6799 -39.6799 -12.9633 -12.9633 -12.6772 -12.6772 -6.8214 -6.8214 -1.9178 -1.9178 -0.7386 -0.7386 -0.2449 -0.2449 -0.1558 -0.1558 -0.0277 -0.0277 0.0819 0.0819 2.9680 2.9680 4.4332 4.4332 4.5690 4.5690 6.6379 6.6379 7.4413 7.4413 8.9693 8.9693 9.5108 9.5108 k = 0.0582-0.1464-0.2664 ( 13155 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8825 -39.8825 -39.6808 -39.6808 -12.9562 -12.9562 -12.6718 -12.6718 -6.8189 -6.8189 -1.9113 -1.9113 -0.7454 -0.7454 -0.2827 -0.2827 -0.1965 -0.1965 -0.0449 -0.0449 0.0702 0.0702 2.9778 2.9778 4.3878 4.3878 4.5493 4.5493 6.6940 6.6940 7.5018 7.5018 9.0096 9.0096 9.4711 9.4711 k = 0.0640-0.1611-0.2930 ( 13153 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8815 -39.8815 -39.6817 -39.6817 -12.9485 -12.9485 -12.6659 -12.6659 -6.8162 -6.8162 -1.9042 -1.9042 -0.7549 -0.7549 -0.3213 -0.3213 -0.2412 -0.2412 -0.0622 -0.0622 0.0575 0.0575 2.9885 2.9885 4.3399 4.3399 4.5280 4.5280 6.7534 6.7534 7.5658 7.5658 9.0522 9.0522 9.4296 9.4296 k = 0.0698-0.1757-0.3197 ( 13159 PWs) bands (ev): -43.2754 -43.2754 -41.2846 -41.2846 -41.2841 -41.2841 -39.8804 -39.8804 -39.6828 -39.6828 -12.9401 -12.9401 -12.6594 -12.6594 -6.8132 -6.8132 -1.8967 -1.8967 -0.7679 -0.7679 -0.3596 -0.3596 -0.2891 -0.2891 -0.0798 -0.0798 0.0436 0.0436 3.0002 3.0002 4.2899 4.2899 4.5052 4.5052 6.8156 6.8156 7.6325 7.6325 9.0966 9.0966 9.3872 9.3872 k = 0.0756-0.1904-0.3463 ( 13153 PWs) bands (ev): -43.2753 -43.2753 -41.2846 -41.2846 -41.2841 -41.2841 -39.8792 -39.8792 -39.6839 -39.6839 -12.9311 -12.9311 -12.6526 -12.6526 -6.8101 -6.8101 -1.8887 -1.8887 -0.7855 -0.7855 -0.3968 -0.3968 -0.3389 -0.3389 -0.0979 -0.0979 0.0286 0.0286 3.0128 3.0128 4.2382 4.2382 4.4808 4.4808 6.8803 6.8803 7.7011 7.7011 9.1421 9.1421 9.3445 9.3445 k = 0.0815-0.2050-0.3730 ( 13143 PWs) bands (ev): -43.2753 -43.2753 -41.2845 -41.2845 -41.2840 -41.2840 -39.8780 -39.8780 -39.6850 -39.6850 -12.9214 -12.9214 -12.6453 -12.6453 -6.8068 -6.8068 -1.8804 -1.8804 -0.8084 -0.8084 -0.4335 -0.4335 -0.3884 -0.3884 -0.1167 -0.1167 0.0124 0.0124 3.0262 3.0262 4.1852 4.1852 4.4551 4.4551 6.9471 6.9471 7.7704 7.7704 9.1879 9.1879 9.3025 9.3025 k = 0.0873-0.2196-0.3996 ( 13139 PWs) bands (ev): -43.2752 -43.2752 -41.2845 -41.2845 -41.2840 -41.2840 -39.8766 -39.8766 -39.6863 -39.6863 -12.9112 -12.9112 -12.6377 -12.6377 -6.8032 -6.8032 -1.8717 -1.8717 -0.8376 -0.8376 -0.4740 -0.4740 -0.4314 -0.4314 -0.1363 -0.1363 -0.0050 -0.0050 3.0405 3.0405 4.1312 4.1312 4.4282 4.4282 7.0156 7.0156 7.8394 7.8394 9.2328 9.2328 9.2628 9.2628 k = 0.0931-0.2343-0.4262 ( 13131 PWs) bands (ev): -43.2752 -43.2752 -41.2844 -41.2844 -41.2839 -41.2839 -39.8752 -39.8752 -39.6877 -39.6877 -12.9005 -12.9005 -12.6297 -12.6297 -6.7995 -6.7995 -1.8628 -1.8628 -0.8729 -0.8729 -0.5235 -0.5235 -0.4617 -0.4617 -0.1566 -0.1566 -0.0237 -0.0237 3.0557 3.0557 4.0765 4.0765 4.4002 4.4002 7.0854 7.0854 7.9068 7.9068 9.2243 9.2243 9.2779 9.2779 k = 0.0989-0.2489-0.4529 ( 13121 PWs) bands (ev): -43.2751 -43.2751 -41.2844 -41.2844 -41.2839 -41.2839 -39.8737 -39.8737 -39.6891 -39.6891 -12.8892 -12.8892 -12.6213 -12.6213 -6.7957 -6.7957 -1.8538 -1.8538 -0.9141 -0.9141 -0.5788 -0.5788 -0.4825 -0.4825 -0.1777 -0.1777 -0.0436 -0.0436 3.0715 3.0715 4.0213 4.0213 4.3712 4.3712 7.1564 7.1564 7.9710 7.9710 9.1916 9.1916 9.3191 9.3191 k = 0.1047-0.2636-0.4795 ( 13121 PWs) bands (ev): -43.2751 -43.2751 -41.2843 -41.2843 -41.2838 -41.2838 -39.8722 -39.8722 -39.6906 -39.6906 -12.8774 -12.8774 -12.6127 -12.6127 -6.7917 -6.7917 -1.8448 -1.8448 -0.9603 -0.9603 -0.6363 -0.6363 -0.4971 -0.4971 -0.1997 -0.1997 -0.0647 -0.0647 3.0881 3.0881 3.9660 3.9660 4.3414 4.3414 7.2281 7.2281 8.0304 8.0304 9.1648 9.1648 9.3565 9.3565 k = 0.1105-0.2782-0.5062 ( 13127 PWs) bands (ev): -43.2751 -43.2751 -41.2842 -41.2842 -41.2838 -41.2838 -39.8705 -39.8705 -39.6922 -39.6922 -12.8651 -12.8651 -12.6038 -12.6038 -6.7875 -6.7875 -1.8359 -1.8359 -1.0103 -1.0103 -0.6946 -0.6946 -0.5076 -0.5076 -0.2225 -0.2225 -0.0871 -0.0871 3.1054 3.1054 3.9108 3.9108 4.3108 4.3108 7.3005 7.3005 8.0830 8.0830 9.1460 9.1460 9.3886 9.3886 k = 0.1164-0.2928-0.5328 ( 13127 PWs) bands (ev): -43.2750 -43.2750 -41.2842 -41.2842 -41.2837 -41.2837 -39.8688 -39.8688 -39.6938 -39.6938 -12.8525 -12.8525 -12.5947 -12.5947 -6.7833 -6.7833 -1.8273 -1.8273 -1.0631 -1.0631 -0.7528 -0.7528 -0.5151 -0.5151 -0.2460 -0.2460 -0.1105 -0.1105 3.1233 3.1233 3.8559 3.8559 4.2797 4.2797 7.3734 7.3734 8.1269 8.1269 9.1371 9.1371 9.4136 9.4136 k = 0.1222-0.3075-0.5594 ( 13127 PWs) bands (ev): -43.2750 -43.2750 -41.2841 -41.2841 -41.2837 -41.2837 -39.8670 -39.8670 -39.6955 -39.6955 -12.8394 -12.8394 -12.5855 -12.5855 -6.7789 -6.7789 -1.8191 -1.8191 -1.1177 -1.1177 -0.8104 -0.8104 -0.5205 -0.5205 -0.2703 -0.2703 -0.1352 -0.1352 3.1417 3.1417 3.8014 3.8014 4.2481 4.2481 7.4464 7.4464 8.1602 8.1602 9.1400 9.1400 9.4299 9.4299 k = 0.1280-0.3221-0.5861 ( 13127 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2836 -41.2836 -39.8651 -39.8651 -39.6973 -39.6973 -12.8260 -12.8260 -12.5760 -12.5760 -6.7745 -6.7745 -1.8116 -1.8116 -1.1734 -1.1734 -0.8669 -0.8669 -0.5244 -0.5244 -0.2953 -0.2953 -0.1608 -0.1608 3.1606 3.1606 3.7477 3.7477 4.2162 4.2162 7.5195 7.5195 8.1818 8.1818 9.1558 9.1558 9.4359 9.4359 k = 0.1338-0.3368-0.6127 ( 13125 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2835 -41.2835 -39.8632 -39.8632 -39.6991 -39.6991 -12.8123 -12.8123 -12.5665 -12.5665 -6.7699 -6.7699 -1.8049 -1.8049 -1.2296 -1.2296 -0.9218 -0.9218 -0.5275 -0.5275 -0.3209 -0.3209 -0.1874 -0.1874 3.1799 3.1799 3.6949 3.6949 4.1841 4.1841 7.5926 7.5926 8.1918 8.1918 9.1846 9.1846 9.4306 9.4306 k = 0.1396-0.3514-0.6393 ( 13117 PWs) bands (ev): -43.2748 -43.2748 -41.2839 -41.2839 -41.2835 -41.2835 -39.8612 -39.8612 -39.7010 -39.7010 -12.7983 -12.7983 -12.5570 -12.5570 -6.7654 -6.7654 -1.7993 -1.7993 -1.2855 -1.2855 -0.9746 -0.9746 -0.5302 -0.5302 -0.3470 -0.3470 -0.2149 -0.2149 3.1994 3.1994 3.6430 3.6430 4.1520 4.1520 7.6655 7.6655 8.1908 8.1908 9.2257 9.2257 9.4136 9.4136 k = 0.1455-0.3661-0.6660 ( 13111 PWs) bands (ev): -43.2748 -43.2748 -41.2838 -41.2838 -41.2834 -41.2834 -39.8592 -39.8592 -39.7030 -39.7030 -12.7840 -12.7840 -12.5474 -12.5474 -6.7607 -6.7607 -1.7952 -1.7952 -1.3408 -1.3408 -1.0249 -1.0249 -0.5330 -0.5330 -0.3736 -0.3736 -0.2429 -0.2429 3.2192 3.2192 3.5924 3.5924 4.1200 4.1200 7.7381 7.7381 8.1806 8.1806 9.2773 9.2773 9.3856 9.3856 k = 0.1513-0.3807-0.6926 ( 13125 PWs) bands (ev): -43.2747 -43.2747 -41.2838 -41.2838 -41.2834 -41.2834 -39.8571 -39.8571 -39.7050 -39.7050 -12.7696 -12.7696 -12.5378 -12.5378 -6.7561 -6.7561 -1.7928 -1.7928 -1.3952 -1.3952 -1.0723 -1.0723 -0.5363 -0.5363 -0.4005 -0.4005 -0.2714 -0.2714 3.2390 3.2390 3.5430 3.5430 4.0883 4.0883 7.8103 7.8103 8.1631 8.1631 9.3347 9.3347 9.3507 9.3507 k = 0.1571-0.3953-0.7193 ( 13125 PWs) bands (ev): -43.2747 -43.2747 -41.2837 -41.2837 -41.2833 -41.2833 -39.8549 -39.8549 -39.7071 -39.7071 -12.7550 -12.7550 -12.5283 -12.5283 -6.7514 -6.7514 -1.7924 -1.7924 -1.4481 -1.4481 -1.1163 -1.1163 -0.5406 -0.5406 -0.4277 -0.4277 -0.2999 -0.2999 3.2588 3.2588 3.4951 3.4951 4.0570 4.0570 7.8819 7.8819 8.1401 8.1401 9.3000 9.3000 9.4068 9.4068 k = 0.1629-0.4100-0.7459 ( 13127 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2832 -41.2832 -39.8527 -39.8527 -39.7092 -39.7092 -12.7403 -12.7403 -12.5189 -12.5189 -6.7468 -6.7468 -1.7944 -1.7944 -1.4995 -1.4995 -1.1565 -1.1565 -0.5465 -0.5465 -0.4550 -0.4550 -0.3278 -0.3278 3.2782 3.2782 3.4488 3.4488 4.0264 4.0264 7.9528 7.9528 8.1133 8.1133 9.2470 9.2470 9.4800 9.4800 k = 0.1687-0.4246-0.7725 ( 13133 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2832 -41.2832 -39.8504 -39.8504 -39.7114 -39.7114 -12.7256 -12.7256 -12.5097 -12.5097 -6.7422 -6.7422 -1.7989 -1.7989 -1.5489 -1.5489 -1.1927 -1.1927 -0.5549 -0.5549 -0.4822 -0.4822 -0.3546 -0.3546 3.2973 3.2973 3.4041 3.4041 3.9966 3.9966 8.0228 8.0228 8.0842 8.0842 9.1890 9.1890 9.5576 9.5576 k = 0.1745-0.4393-0.7992 ( 13119 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2831 -41.2831 -39.8481 -39.8481 -39.7136 -39.7136 -12.7108 -12.7108 -12.5007 -12.5007 -6.7376 -6.7376 -1.8062 -1.8062 -1.5963 -1.5963 -1.2247 -1.2247 -0.5664 -0.5664 -0.5094 -0.5094 -0.3794 -0.3794 3.3155 3.3155 3.3613 3.3613 3.9678 3.9678 8.0531 8.0531 8.0925 8.0925 9.1276 9.1276 9.6381 9.6381 k = 0.1804-0.4539-0.8258 ( 13135 PWs) bands (ev): -43.2745 -43.2745 -41.2834 -41.2834 -41.2831 -41.2831 -39.8458 -39.8458 -39.7159 -39.7159 -12.6960 -12.6960 -12.4919 -12.4919 -6.7331 -6.7331 -1.8163 -1.8163 -1.6413 -1.6413 -1.2525 -1.2525 -0.5820 -0.5820 -0.5363 -0.5363 -0.4012 -0.4012 3.3195 3.3195 3.3336 3.3336 3.9405 3.9405 8.0222 8.0222 8.1603 8.1603 9.0642 9.0642 9.6807 9.6807 k = 0.1862-0.4686-0.8525 ( 13137 PWs) bands (ev): -43.2744 -43.2744 -41.2834 -41.2834 -41.2830 -41.2830 -39.8434 -39.8434 -39.7182 -39.7182 -12.6813 -12.6813 -12.4833 -12.4833 -6.7286 -6.7286 -1.8289 -1.8289 -1.6838 -1.6838 -1.2763 -1.2763 -0.6022 -0.6022 -0.5629 -0.5629 -0.4196 -0.4196 3.2808 3.2808 3.3493 3.3493 3.9147 3.9147 7.9913 7.9913 8.2268 8.2268 8.9998 8.9998 9.6901 9.6901 k = 0.1920-0.4832-0.8791 ( 13141 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2830 -41.2830 -39.8410 -39.8410 -39.7206 -39.7206 -12.6667 -12.6667 -12.4751 -12.4751 -6.7243 -6.7243 -1.8438 -1.8438 -1.7237 -1.7237 -1.2965 -1.2965 -0.6271 -0.6271 -0.5887 -0.5887 -0.4345 -0.4345 3.2436 3.2436 3.3637 3.3637 3.8909 3.8909 7.9612 7.9612 8.2915 8.2915 8.9354 8.9354 9.7020 9.7020 k = 0.1978-0.4978-0.9057 ( 13139 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8385 -39.8385 -39.7230 -39.7230 -12.6522 -12.6522 -12.4672 -12.4672 -6.7200 -6.7200 -1.8604 -1.8604 -1.7609 -1.7609 -1.3136 -1.3136 -0.6564 -0.6564 -0.6135 -0.6135 -0.4465 -0.4465 3.2085 3.2085 3.3761 3.3761 3.8695 3.8695 7.9323 7.9323 8.3539 8.3539 8.8722 8.8722 9.7168 9.7168 k = 0.2036-0.5125-0.9324 ( 13135 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2828 -41.2828 -39.8360 -39.8360 -39.7254 -39.7254 -12.6379 -12.6379 -12.4597 -12.4597 -6.7159 -6.7159 -1.8781 -1.8781 -1.7951 -1.7951 -1.3285 -1.3285 -0.6893 -0.6893 -0.6367 -0.6367 -0.4562 -0.4562 3.1755 3.1755 3.3859 3.3859 3.8509 3.8509 7.9051 7.9051 8.4130 8.4130 8.8113 8.8113 9.7346 9.7346 k = 0.2095-0.5271-0.9590 ( 13129 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8335 -39.8335 -39.7278 -39.7278 -12.6238 -12.6238 -12.4526 -12.4526 -6.7119 -6.7119 -1.8965 -1.8965 -1.8264 -1.8264 -1.3418 -1.3418 -0.7252 -0.7252 -0.6583 -0.6583 -0.4644 -0.4644 3.1447 3.1447 3.3927 3.3927 3.8354 3.8354 7.8798 7.8798 8.4667 8.4667 8.7551 8.7551 9.7555 9.7555 k = 0.2153-0.5418-0.9857 ( 13129 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2827 -41.2827 -39.8310 -39.8310 -39.7303 -39.7303 -12.6100 -12.6100 -12.4460 -12.4460 -6.7080 -6.7080 -1.9148 -1.9148 -1.8546 -1.8546 -1.3543 -1.3543 -0.7632 -0.7632 -0.6779 -0.6779 -0.4717 -0.4717 3.1161 3.1161 3.3962 3.3962 3.8235 3.8235 7.8568 7.8568 8.5091 8.5091 8.7094 8.7094 9.7795 9.7795 k = 0.2211-0.5564-1.0123 ( 13153 PWs) bands (ev): -43.2742 -43.2742 -41.2830 -41.2830 -41.2827 -41.2827 -39.8284 -39.8284 -39.7328 -39.7328 -12.5965 -12.5965 -12.4398 -12.4398 -6.7042 -6.7042 -1.9325 -1.9325 -1.8797 -1.8797 -1.3666 -1.3666 -0.8029 -0.8029 -0.6955 -0.6955 -0.4786 -0.4786 3.0898 3.0898 3.3961 3.3961 3.8152 3.8152 7.8364 7.8364 8.5255 8.5255 8.6891 8.6891 9.8066 9.8066 k = 0.2269-0.5711-1.0389 ( 13147 PWs) bands (ev): -43.2741 -43.2741 -41.2830 -41.2830 -41.2827 -41.2827 -39.8259 -39.8259 -39.7353 -39.7353 -12.5833 -12.5833 -12.4341 -12.4341 -6.7007 -6.7007 -1.9492 -1.9492 -1.9015 -1.9015 -1.3794 -1.3794 -0.8438 -0.8438 -0.7108 -0.7108 -0.4853 -0.4853 3.0657 3.0657 3.3922 3.3922 3.8105 3.8105 7.8187 7.8187 8.5049 8.5049 8.7050 8.7050 9.8368 9.8368 k = 0.2327-0.5857-1.0656 ( 13141 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8233 -39.8233 -39.7378 -39.7378 -12.5705 -12.5705 -12.4289 -12.4289 -6.6973 -6.6973 -1.9644 -1.9644 -1.9202 -1.9202 -1.3931 -1.3931 -0.8856 -0.8856 -0.7236 -0.7236 -0.4920 -0.4920 3.0440 3.0440 3.3849 3.3849 3.8093 3.8093 7.8041 7.8041 8.4638 8.4638 8.7407 8.7407 9.8701 9.8701 k = 0.2385-0.6003-1.0922 ( 13147 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8207 -39.8207 -39.7403 -39.7403 -12.5580 -12.5580 -12.4243 -12.4243 -6.6940 -6.6940 -1.9779 -1.9779 -1.9355 -1.9355 -1.4081 -1.4081 -0.9282 -0.9282 -0.7339 -0.7339 -0.4989 -0.4989 3.0246 3.0246 3.3743 3.3743 3.8111 3.8111 7.7928 7.7928 8.4167 8.4167 8.7814 8.7814 9.9064 9.9064 k = 0.2444-0.6150-1.1189 ( 13155 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8181 -39.8181 -39.7429 -39.7429 -12.5460 -12.5460 -12.4202 -12.4202 -6.6910 -6.6910 -1.9893 -1.9893 -1.9475 -1.9475 -1.4246 -1.4246 -0.9711 -0.9711 -0.7417 -0.7417 -0.5062 -0.5062 3.0076 3.0076 3.3611 3.3611 3.8153 3.8153 7.7849 7.7849 8.3686 8.3686 8.8219 8.8219 9.9457 9.9457 k = 0.2502-0.6296-1.1455 ( 13147 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5344 -12.5344 -12.4167 -12.4167 -6.6881 -6.6881 -1.9985 -1.9985 -1.9563 -1.9563 -1.4429 -1.4429 -1.0144 -1.0144 -0.7469 -0.7469 -0.5138 -0.5138 2.9930 2.9930 3.3456 3.3456 3.8215 3.8215 7.7807 7.7807 8.3214 8.3214 8.8603 8.8603 9.9869 9.9869 k = 0.2560-0.6443-1.1721 ( 13151 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8129 -39.8129 -39.7479 -39.7479 -12.5233 -12.5233 -12.4137 -12.4137 -6.6855 -6.6855 -2.0053 -2.0053 -1.9617 -1.9617 -1.4629 -1.4629 -1.0578 -1.0578 -0.7497 -0.7497 -0.5218 -0.5218 2.9807 2.9807 3.3283 3.3283 3.8290 3.8290 7.7803 7.7803 8.2759 8.2759 8.8958 8.8958 9.9830 9.9830 k = 0.2618-0.6589-1.1988 ( 13149 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8103 -39.8103 -39.7505 -39.7505 -12.5127 -12.5127 -12.4113 -12.4113 -6.6830 -6.6830 -2.0095 -2.0095 -1.9639 -1.9639 -1.4846 -1.4846 -1.1011 -1.1011 -0.7503 -0.7503 -0.5302 -0.5302 2.9709 2.9709 3.3096 3.3096 3.8373 3.8373 7.7839 7.7839 8.2323 8.2323 8.9279 8.9279 9.9559 9.9559 k = 0.2676-0.6736-1.2254 ( 13143 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8078 -39.8078 -39.7530 -39.7530 -12.5025 -12.5025 -12.4095 -12.4095 -6.6808 -6.6808 -2.0110 -2.0110 -1.9629 -1.9629 -1.5079 -1.5079 -1.1442 -1.1442 -0.7488 -0.7488 -0.5390 -0.5390 2.9634 2.9634 3.2900 3.2900 3.8461 3.8461 7.7917 7.7917 8.1909 8.1909 8.9564 8.9564 9.9241 9.9241 k = 0.2735-0.6882-1.2521 ( 13139 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8052 -39.8052 -39.7556 -39.7556 -12.4929 -12.4929 -12.4082 -12.4082 -6.6787 -6.6787 -2.0097 -2.0097 -1.9590 -1.9590 -1.5326 -1.5326 -1.1869 -1.1869 -0.7455 -0.7455 -0.5482 -0.5482 2.9584 2.9584 3.2697 3.2697 3.8550 3.8550 7.8037 7.8037 8.1517 8.1517 8.9813 8.9813 9.8877 9.8877 k = 0.2793-0.7028-1.2787 ( 13137 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8026 -39.8026 -39.7581 -39.7581 -12.4839 -12.4839 -12.4075 -12.4075 -6.6769 -6.6769 -2.0056 -2.0056 -1.9521 -1.9521 -1.5585 -1.5585 -1.2289 -1.2289 -0.7406 -0.7406 -0.5578 -0.5578 2.9557 2.9557 3.2489 3.2489 3.8636 3.8636 7.8200 7.8200 8.1147 8.1147 9.0026 9.0026 9.8468 9.8468 k = 0.2851-0.7175-1.3053 ( 13139 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.8001 -39.8001 -39.7606 -39.7606 -12.4753 -12.4753 -12.4074 -12.4074 -6.6753 -6.6753 -1.9987 -1.9987 -1.9426 -1.9426 -1.5854 -1.5854 -1.2700 -1.2700 -0.7345 -0.7345 -0.5678 -0.5678 2.9553 2.9553 3.2277 3.2277 3.8719 3.8719 7.8409 7.8409 8.0800 8.0800 9.0204 9.0204 9.8015 9.8015 k = 0.2909-0.7321-1.3320 ( 13147 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7976 -39.7976 -39.7631 -39.7631 -12.4674 -12.4674 -12.4078 -12.4078 -6.6739 -6.6739 -1.9889 -1.9889 -1.9308 -1.9308 -1.6131 -1.6131 -1.3098 -1.3098 -0.7272 -0.7272 -0.5781 -0.5781 2.9574 2.9574 3.2064 3.2064 3.8796 3.8796 7.8663 7.8663 8.0473 8.0473 9.0349 9.0349 9.7523 9.7523 k = 0.2967-0.7468-1.3586 ( 13155 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7951 -39.7951 -39.7655 -39.7655 -12.4599 -12.4599 -12.4087 -12.4087 -6.6726 -6.6726 -1.9763 -1.9763 -1.9170 -1.9170 -1.6414 -1.6414 -1.3481 -1.3481 -0.7191 -0.7191 -0.5886 -0.5886 2.9617 2.9617 3.1851 3.1851 3.8866 3.8866 7.8963 7.8963 8.0167 8.0167 9.0463 9.0463 9.6994 9.6994 k = 0.3025-0.7614-1.3853 ( 13161 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7927 -39.7927 -39.7680 -39.7680 -12.4530 -12.4530 -12.4102 -12.4102 -6.6716 -6.6716 -1.9610 -1.9610 -1.9018 -1.9018 -1.6701 -1.6701 -1.3841 -1.3841 -0.7103 -0.7103 -0.5993 -0.5993 2.9683 2.9683 3.1638 3.1638 3.8927 3.8927 7.9309 7.9309 7.9880 7.9880 9.0549 9.0549 9.6435 9.6435 k = 0.3084-0.7761-1.4119 ( 13171 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7903 -39.7903 -39.7704 -39.7704 -12.4467 -12.4467 -12.4121 -12.4121 -6.6708 -6.6708 -1.9431 -1.9431 -1.8859 -1.8859 -1.6989 -1.6989 -1.4172 -1.4172 -0.7010 -0.7010 -0.6101 -0.6101 2.9772 2.9772 3.1427 3.1427 3.8981 3.8981 7.9611 7.9611 7.9703 7.9703 9.0609 9.0609 9.5848 9.5848 k = 0.3142-0.7907-1.4385 ( 13155 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7879 -39.7879 -39.7728 -39.7728 -12.4409 -12.4409 -12.4145 -12.4145 -6.6701 -6.6701 -1.9228 -1.9228 -1.8705 -1.8705 -1.7276 -1.7276 -1.4462 -1.4462 -0.6915 -0.6915 -0.6208 -0.6208 2.9883 2.9883 3.1217 3.1217 3.9025 3.9025 7.9358 7.9358 8.0142 8.0142 9.0647 9.0647 9.5236 9.5236 k = 0.3200-0.8053-1.4652 ( 13163 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7855 -39.7855 -39.7751 -39.7751 -12.4356 -12.4356 -12.4174 -12.4174 -6.6697 -6.6697 -1.9011 -1.9011 -1.8567 -1.8567 -1.7556 -1.7556 -1.4698 -1.4698 -0.6820 -0.6820 -0.6314 -0.6314 3.0015 3.0015 3.1009 3.1009 3.9060 3.9060 7.9118 7.9118 8.0628 8.0628 9.0664 9.0664 9.4604 9.4604 k = 0.3258-0.8200-1.4918 ( 13161 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7832 -39.7832 -39.7774 -39.7774 -12.4308 -12.4308 -12.4206 -12.4206 -6.6694 -6.6694 -1.8800 -1.8800 -1.8453 -1.8453 -1.7818 -1.7818 -1.4862 -1.4862 -0.6731 -0.6731 -0.6411 -0.6411 3.0168 3.0168 3.0804 3.0804 3.9087 3.9087 7.8891 7.8891 8.1159 8.1159 9.0663 9.0663 9.3954 9.3954 k = 0.3316-0.8346-1.5185 ( 13161 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7809 -39.7809 -39.7797 -39.7797 -12.4265 -12.4265 -12.4242 -12.4242 -6.6693 -6.6693 -1.8671 -1.8671 -1.8362 -1.8362 -1.8004 -1.8004 -1.4936 -1.4936 -0.6670 -0.6670 -0.6479 -0.6479 3.0341 3.0341 3.0603 3.0603 3.9105 3.9105 7.8673 7.8673 8.1736 8.1736 9.0647 9.0647 9.3286 9.3286 k = 0.3375-0.8493-1.5451 ( 13165 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7819 -39.7819 -39.7787 -39.7787 -12.4282 -12.4282 -12.4227 -12.4227 -6.6693 -6.6693 -1.8717 -1.8717 -1.8415 -1.8415 -1.7916 -1.7916 -1.4909 -1.4909 -0.6694 -0.6694 -0.6460 -0.6460 3.0396 3.0396 3.0542 3.0542 3.9114 3.9114 7.8463 7.8463 8.2357 8.2357 9.0620 9.0620 9.2604 9.2604 k = 0.6625-0.7536-1.4885 ( 13165 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7819 -39.7819 -39.7787 -39.7787 -12.4282 -12.4282 -12.4227 -12.4227 -6.6693 -6.6693 -1.8717 -1.8717 -1.8415 -1.8415 -1.7916 -1.7916 -1.4909 -1.4909 -0.6694 -0.6694 -0.6460 -0.6460 3.0396 3.0396 3.0542 3.0542 3.9114 3.9114 7.8463 7.8463 8.2357 8.2357 9.0620 9.0620 9.2604 9.2604 k = 0.6567-0.7232-1.4885 ( 13177 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7840 -39.7840 -39.7766 -39.7766 -12.4325 -12.4325 -12.4194 -12.4194 -6.6695 -6.6695 -1.8902 -1.8902 -1.8565 -1.8565 -1.7635 -1.7635 -1.4785 -1.4785 -0.6772 -0.6772 -0.6385 -0.6385 3.0204 3.0204 3.0751 3.0751 3.9116 3.9116 7.8257 7.8257 8.3020 8.3020 9.0582 9.0582 9.1909 9.1909 k = 0.6509-0.6929-1.4885 ( 13173 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7861 -39.7861 -39.7745 -39.7745 -12.4370 -12.4370 -12.4165 -12.4165 -6.6698 -6.6698 -1.9142 -1.9142 -1.8751 -1.8751 -1.7296 -1.7296 -1.4575 -1.4575 -0.6857 -0.6857 -0.6299 -0.6299 3.0012 3.0012 3.0980 3.0980 3.9111 3.9111 7.8054 7.8054 8.3725 8.3725 9.0536 9.0536 9.1200 9.1200 k = 0.6451-0.6626-1.4885 ( 13159 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7882 -39.7882 -39.7724 -39.7724 -12.4418 -12.4418 -12.4140 -12.4140 -6.6702 -6.6702 -1.9398 -1.9398 -1.8970 -1.8970 -1.6926 -1.6926 -1.4299 -1.4299 -0.6938 -0.6938 -0.6213 -0.6213 2.9823 2.9823 3.1227 3.1227 3.9099 3.9099 7.7850 7.7850 8.4471 8.4471 9.0455 9.0455 9.0508 9.0508 k = 0.6393-0.6322-1.4885 ( 13161 PWs) bands (ev): -43.2738 -43.2738 -41.2825 -41.2825 -41.2823 -41.2823 -39.7902 -39.7902 -39.7704 -39.7704 -12.4467 -12.4467 -12.4119 -12.4119 -6.6708 -6.6708 -1.9657 -1.9657 -1.9214 -1.9214 -1.6532 -1.6532 -1.3974 -1.3974 -0.7009 -0.7009 -0.6130 -0.6130 2.9639 2.9639 3.1489 3.1489 3.9081 3.9081 7.7644 7.7644 8.5256 8.5256 8.9743 8.9743 9.0431 9.0431 k = 0.6335-0.6019-1.4885 ( 13171 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7921 -39.7921 -39.7685 -39.7685 -12.4519 -12.4519 -12.4102 -12.4102 -6.6714 -6.6714 -1.9912 -1.9912 -1.9474 -1.9474 -1.6120 -1.6120 -1.3617 -1.3617 -0.7068 -0.7068 -0.6050 -0.6050 2.9458 2.9458 3.1766 3.1766 3.9058 3.9058 7.7432 7.7432 8.6079 8.6079 8.8998 8.8998 9.0371 9.0371 k = 0.6277-0.5716-1.4885 ( 13169 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7940 -39.7940 -39.7666 -39.7666 -12.4571 -12.4571 -12.4089 -12.4089 -6.6721 -6.6721 -2.0163 -2.0163 -1.9741 -1.9741 -1.5691 -1.5691 -1.3241 -1.3241 -0.7110 -0.7110 -0.5976 -0.5976 2.9281 2.9281 3.2056 3.2056 3.9031 3.9031 7.7212 7.7212 8.6937 8.6937 8.8242 8.8242 9.0310 9.0310 k = 0.6219-0.5412-1.4885 ( 13167 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7958 -39.7958 -39.7648 -39.7648 -12.4624 -12.4624 -12.4078 -12.4078 -6.6730 -6.6730 -2.0406 -2.0406 -2.0012 -2.0012 -1.5249 -1.5249 -1.2857 -1.2857 -0.7131 -0.7131 -0.5906 -0.5906 2.9108 2.9108 3.2358 3.2358 3.9000 3.9000 7.6983 7.6983 8.7454 8.7454 8.7851 8.7851 9.0248 9.0248 k = 0.6161-0.5109-1.4885 ( 13161 PWs) bands (ev): -43.2738 -43.2738 -41.2826 -41.2826 -41.2823 -41.2823 -39.7976 -39.7976 -39.7631 -39.7631 -12.4678 -12.4678 -12.4070 -12.4070 -6.6738 -6.6738 -2.0642 -2.0642 -2.0280 -2.0280 -1.4795 -1.4795 -1.2476 -1.2476 -0.7127 -0.7127 -0.5842 -0.5842 2.8940 2.8940 3.2670 3.2670 3.8965 3.8965 7.6743 7.6743 8.6689 8.6689 8.8766 8.8766 9.0183 9.0183 k = 0.6103-0.4806-1.4885 ( 13157 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.7993 -39.7993 -39.7614 -39.7614 -12.4732 -12.4732 -12.4065 -12.4065 -6.6748 -6.6748 -2.0870 -2.0870 -2.0544 -2.0544 -1.4333 -1.4333 -1.2109 -1.2109 -0.7091 -0.7091 -0.5784 -0.5784 2.8777 2.8777 3.2990 3.2990 3.8929 3.8929 7.6491 7.6491 8.5906 8.5906 8.9720 8.9720 9.0115 9.0115 k = 0.6045-0.4503-1.4885 ( 13157 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2823 -41.2823 -39.8009 -39.8009 -39.7598 -39.7598 -12.4786 -12.4786 -12.4062 -12.4062 -6.6757 -6.6757 -2.1088 -2.1088 -2.0801 -2.0801 -1.3865 -1.3865 -1.1767 -1.1767 -0.7018 -0.7018 -0.5732 -0.5732 2.8619 2.8619 3.3317 3.3317 3.8890 3.8890 7.6227 7.6227 8.5117 8.5117 9.0040 9.0040 9.0703 9.0703 k = 0.5987-0.4199-1.4885 ( 13165 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8024 -39.8024 -39.7583 -39.7583 -12.4839 -12.4839 -12.4062 -12.4062 -6.6767 -6.6767 -2.1297 -2.1297 -2.1050 -2.1050 -1.3394 -1.3394 -1.1458 -1.1458 -0.6903 -0.6903 -0.5685 -0.5685 2.8466 2.8466 3.3647 3.3647 3.8850 3.8850 7.5949 7.5949 8.4325 8.4325 8.9955 8.9955 9.1708 9.1708 k = 0.5929-0.3896-1.4885 ( 13167 PWs) bands (ev): -43.2739 -43.2739 -41.2826 -41.2826 -41.2824 -41.2824 -39.8038 -39.8038 -39.7569 -39.7569 -12.4891 -12.4891 -12.4063 -12.4063 -6.6777 -6.6777 -2.1496 -2.1496 -2.1288 -2.1288 -1.2923 -1.2923 -1.1190 -1.1190 -0.6744 -0.6744 -0.5643 -0.5643 2.8318 2.8318 3.3980 3.3980 3.8810 3.8810 7.5660 7.5660 8.3535 8.3535 8.9853 8.9853 9.2729 9.2729 k = 0.5871-0.3593-1.4885 ( 13164 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8052 -39.8052 -39.7555 -39.7555 -12.4941 -12.4941 -12.4065 -12.4065 -6.6787 -6.6787 -2.1685 -2.1685 -2.1516 -2.1516 -1.2455 -1.2455 -1.0965 -1.0965 -0.6544 -0.6544 -0.5603 -0.5603 2.8176 2.8176 3.4313 3.4313 3.8769 3.8769 7.5360 7.5360 8.2752 8.2752 8.9724 8.9724 9.3759 9.3759 k = 0.5813-0.3289-1.4885 ( 13166 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8065 -39.8065 -39.7543 -39.7543 -12.4991 -12.4991 -12.4069 -12.4069 -6.6798 -6.6798 -2.1863 -2.1863 -2.1731 -2.1731 -1.1995 -1.1995 -1.0781 -1.0781 -0.6313 -0.6313 -0.5560 -0.5560 2.8040 2.8040 3.4644 3.4644 3.8729 3.8729 7.5050 7.5050 8.1980 8.1980 8.9553 8.9553 9.3945 9.3945 k = 0.5755-0.2986-1.4885 ( 13168 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8077 -39.8077 -39.7531 -39.7531 -12.5038 -12.5038 -12.4073 -12.4073 -6.6807 -6.6807 -2.2030 -2.2030 -2.1934 -2.1934 -1.1552 -1.1552 -1.0630 -1.0630 -0.6077 -0.6077 -0.5494 -0.5494 2.7911 2.7911 3.4969 3.4969 3.8690 3.8690 7.4735 7.4735 8.1225 8.1225 8.9322 8.9322 9.3242 9.3242 k = 0.5697-0.2683-1.4885 ( 13162 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8089 -39.8089 -39.7519 -39.7519 -12.5082 -12.5082 -12.4079 -12.4079 -6.6817 -6.6817 -2.2186 -2.2186 -2.2123 -2.2123 -1.1143 -1.1143 -1.0489 -1.0489 -0.5891 -0.5891 -0.5363 -0.5363 2.7788 2.7788 3.5286 3.5286 3.8652 3.8652 7.4416 7.4416 8.0492 8.0492 8.9016 8.9016 9.2660 9.2660 k = 0.5639-0.2379-1.4885 ( 13158 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8099 -39.8099 -39.7509 -39.7509 -12.5125 -12.5125 -12.4084 -12.4084 -6.6826 -6.6826 -2.2332 -2.2332 -2.2297 -2.2297 -1.0819 -1.0819 -1.0303 -1.0303 -0.5799 -0.5799 -0.5132 -0.5132 2.7672 2.7672 3.5593 3.5593 3.8615 3.8615 7.4097 7.4097 7.9788 7.9788 8.8631 8.8631 9.2211 9.2211 k = 0.5581-0.2076-1.4885 ( 13156 PWs) bands (ev): -43.2739 -43.2739 -41.2827 -41.2827 -41.2824 -41.2824 -39.8109 -39.8109 -39.7500 -39.7500 -12.5164 -12.5164 -12.4091 -12.4091 -6.6835 -6.6835 -2.2472 -2.2472 -2.2452 -2.2452 -1.0640 -1.0640 -1.0009 -1.0009 -0.5775 -0.5775 -0.4839 -0.4839 2.7564 2.7564 3.5885 3.5885 3.8581 3.8581 7.3783 7.3783 7.9120 7.9120 8.8180 8.8180 9.1887 9.1887 k = 0.5522-0.1773-1.4885 ( 13150 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8118 -39.8118 -39.7491 -39.7491 -12.5201 -12.5201 -12.4097 -12.4097 -6.6843 -6.6843 -2.2613 -2.2613 -2.2578 -2.2578 -1.0560 -1.0560 -0.9648 -0.9648 -0.5787 -0.5787 -0.4527 -0.4527 2.7465 2.7465 3.6162 3.6162 3.8548 3.8548 7.3478 7.3478 7.8492 7.8492 8.7694 8.7694 9.1663 9.1663 k = 0.5464-0.1469-1.4885 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8126 -39.8126 -39.7483 -39.7483 -12.5234 -12.5234 -12.4103 -12.4103 -6.6851 -6.6851 -2.2744 -2.2744 -2.2687 -2.2687 -1.0523 -1.0523 -0.9276 -0.9276 -0.5821 -0.5821 -0.4219 -0.4219 2.7373 2.7373 3.6419 3.6419 3.8519 3.8519 7.3188 7.3188 7.7912 7.7912 8.7203 8.7203 9.1510 9.1510 k = 0.5406-0.1166-1.4885 ( 13142 PWs) bands (ev): -43.2740 -43.2740 -41.2827 -41.2827 -41.2825 -41.2825 -39.8133 -39.8133 -39.7476 -39.7476 -12.5264 -12.5264 -12.4109 -12.4109 -6.6858 -6.6858 -2.2862 -2.2862 -2.2783 -2.2783 -1.0505 -1.0505 -0.8914 -0.8914 -0.5873 -0.5873 -0.3926 -0.3926 2.7291 2.7291 3.6654 3.6654 3.8492 3.8492 7.2916 7.2916 7.7386 7.7386 8.6733 8.6733 9.1406 9.1406 k = 0.5348-0.0863-1.4885 ( 13136 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8139 -39.8139 -39.7470 -39.7470 -12.5290 -12.5290 -12.4114 -12.4114 -6.6864 -6.6864 -2.2964 -2.2964 -2.2867 -2.2867 -1.0498 -1.0498 -0.8569 -0.8569 -0.5941 -0.5941 -0.3658 -0.3658 2.7219 2.7219 3.6864 3.6864 3.8469 3.8469 7.2669 7.2669 7.6917 7.6917 8.6303 8.6303 9.1336 9.1336 k = 0.5290-0.0560-1.4885 ( 13140 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8144 -39.8144 -39.7465 -39.7465 -12.5312 -12.5312 -12.4119 -12.4119 -6.6869 -6.6869 -2.3051 -2.3051 -2.2937 -2.2937 -1.0496 -1.0496 -0.8247 -0.8247 -0.6024 -0.6024 -0.3421 -0.3421 2.7157 2.7157 3.7046 3.7046 3.8448 3.8448 7.2450 7.2450 7.6512 7.6512 8.5925 8.5925 9.1288 9.1288 k = 0.5232-0.0256-1.4885 ( 13136 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8148 -39.8148 -39.7461 -39.7461 -12.5331 -12.5331 -12.4123 -12.4123 -6.6873 -6.6873 -2.3122 -2.3122 -2.2995 -2.2995 -1.0497 -1.0497 -0.7951 -0.7951 -0.6121 -0.6121 -0.3220 -0.3220 2.7105 2.7105 3.7199 3.7199 3.8432 3.8432 7.2264 7.2264 7.6175 7.6175 8.5607 8.5607 9.1255 9.1255 k = 0.5174 0.0047-1.4885 ( 13144 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8151 -39.8151 -39.7458 -39.7458 -12.5345 -12.5345 -12.4126 -12.4126 -6.6877 -6.6877 -2.3177 -2.3177 -2.3041 -2.3041 -1.0500 -1.0500 -0.7687 -0.7687 -0.6229 -0.6229 -0.3060 -0.3060 2.7064 2.7064 3.7320 3.7320 3.8419 3.8419 7.2115 7.2115 7.5908 7.5908 8.5355 8.5355 9.1233 9.1233 k = 0.5116 0.0350-1.4885 ( 13152 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8154 -39.8154 -39.7456 -39.7456 -12.5356 -12.5356 -12.4128 -12.4128 -6.6879 -6.6879 -2.3217 -2.3217 -2.3073 -2.3073 -1.0503 -1.0503 -0.7463 -0.7463 -0.6340 -0.6340 -0.2943 -0.2943 2.7035 2.7035 3.7408 3.7408 3.8409 3.8409 7.2007 7.2007 7.5716 7.5716 8.5173 8.5173 9.1220 9.1220 k = 0.5058 0.0654-1.4885 ( 13154 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5362 -12.5362 -12.4130 -12.4130 -6.6881 -6.6881 -2.3241 -2.3241 -2.3092 -2.3092 -1.0504 -1.0504 -0.7299 -0.7299 -0.6435 -0.6435 -0.2872 -0.2872 2.7017 2.7017 3.7461 3.7461 3.8403 3.8403 7.1940 7.1940 7.5600 7.5600 8.5063 8.5063 9.1212 9.1212 k = 0.5000 0.0957-1.4885 ( 13150 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5364 -12.5364 -12.4130 -12.4130 -6.6881 -6.6881 -2.3249 -2.3249 -2.3099 -2.3099 -1.0505 -1.0505 -0.7234 -0.7234 -0.6476 -0.6476 -0.2848 -0.2848 2.7012 2.7012 3.7478 3.7478 3.8402 3.8402 7.1918 7.1918 7.5561 7.5561 8.5026 8.5026 9.1210 9.1210 k = 0.5000 0.0957-1.4885 ( 13150 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5364 -12.5364 -12.4130 -12.4130 -6.6881 -6.6881 -2.3249 -2.3249 -2.3099 -2.3099 -1.0505 -1.0505 -0.7234 -0.7234 -0.6476 -0.6476 -0.2848 -0.2848 2.7012 2.7012 3.7478 3.7478 3.8402 3.8402 7.1918 7.1918 7.5561 7.5561 8.5026 8.5026 9.1210 9.1210 k = 0.5271 0.1009-1.4791 ( 13152 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5364 -12.5364 -12.4130 -12.4130 -6.6881 -6.6881 -2.3248 -2.3248 -2.3098 -2.3098 -1.0505 -1.0505 -0.7234 -0.7234 -0.6478 -0.6478 -0.2849 -0.2849 2.7019 2.7019 3.7479 3.7479 3.8400 3.8400 7.1740 7.1740 7.5747 7.5747 8.5031 8.5031 9.1231 9.1231 k = 0.5542 0.1061-1.4696 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3245 -2.3245 -2.3097 -2.3097 -1.0503 -1.0503 -0.7232 -0.7232 -0.6484 -0.6484 -0.2849 -0.2849 2.7040 2.7040 3.7482 3.7482 3.8394 3.8394 7.1290 7.1290 7.6224 7.6224 8.5048 8.5048 9.1293 9.1293 k = 0.5813 0.1113-1.4602 ( 13163 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5367 -12.5367 -12.4131 -12.4131 -6.6882 -6.6882 -2.3240 -2.3240 -2.3094 -2.3094 -1.0501 -1.0501 -0.7230 -0.7230 -0.6493 -0.6493 -0.2851 -0.2851 2.7074 2.7074 3.7486 3.7486 3.8386 3.8386 7.0702 7.0702 7.6854 7.6854 8.5076 8.5076 9.1391 9.1391 k = 0.6084 0.1164-1.4508 ( 13159 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5368 -12.5368 -12.4131 -12.4131 -6.6882 -6.6882 -2.3233 -2.3233 -2.3090 -2.3090 -1.0498 -1.0498 -0.7226 -0.7226 -0.6505 -0.6505 -0.2852 -0.2852 2.7120 2.7120 3.7493 3.7493 3.8374 3.8374 7.0060 7.0060 7.7554 7.7554 8.5118 8.5118 9.1517 9.1517 k = 0.6355 0.1216-1.4413 ( 13153 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8157 -39.8157 -39.7452 -39.7452 -12.5371 -12.5371 -12.4132 -12.4132 -6.6883 -6.6883 -2.3225 -2.3225 -2.3085 -2.3085 -1.0494 -1.0494 -0.7222 -0.7222 -0.6520 -0.6520 -0.2854 -0.2854 2.7177 2.7177 3.7500 3.7500 3.8359 3.8359 6.9408 6.9408 7.8277 7.8277 8.5175 8.5175 9.1661 9.1661 k = 0.6625 0.1268-1.4319 ( 13140 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8158 -39.8158 -39.7452 -39.7452 -12.5373 -12.5373 -12.4133 -12.4133 -6.6883 -6.6883 -2.3215 -2.3215 -2.3078 -2.3078 -1.0490 -1.0490 -0.7217 -0.7217 -0.6536 -0.6536 -0.2856 -0.2856 2.7243 2.7243 3.7509 3.7509 3.8341 3.8341 6.8768 6.8768 7.8997 7.8997 8.5252 8.5252 9.1807 9.1807 k = 0.6625 0.1268-1.4319 ( 13140 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8158 -39.8158 -39.7452 -39.7452 -12.5373 -12.5373 -12.4133 -12.4133 -6.6883 -6.6883 -2.3215 -2.3215 -2.3078 -2.3078 -1.0490 -1.0490 -0.7217 -0.7217 -0.6536 -0.6536 -0.2856 -0.2856 2.7243 2.7243 3.7509 3.7509 3.8341 3.8341 6.8768 6.8768 7.8997 7.8997 8.5252 8.5252 9.1807 9.1807 k = 0.6592 0.1262-1.4015 ( 13152 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8162 -39.8162 -39.7447 -39.7447 -12.5394 -12.5394 -12.4140 -12.4140 -6.6889 -6.6889 -2.3170 -2.3170 -2.3009 -2.3009 -1.0530 -1.0530 -0.7200 -0.7200 -0.6514 -0.6514 -0.2842 -0.2842 2.7314 2.7314 3.7534 3.7534 3.8293 3.8293 6.8677 6.8677 7.9197 7.9197 8.5327 8.5327 9.1886 9.1886 k = 0.6559 0.1255-1.3711 ( 13155 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8170 -39.8170 -39.7440 -39.7440 -12.5426 -12.5426 -12.4151 -12.4151 -6.6896 -6.6896 -2.3098 -2.3098 -2.2903 -2.2903 -1.0591 -1.0591 -0.7174 -0.7174 -0.6475 -0.6475 -0.2820 -0.2820 2.7412 2.7412 3.7573 3.7573 3.8218 3.8218 6.8630 6.8630 7.9410 7.9410 8.5426 8.5426 9.1957 9.1957 k = 0.6526 0.1249-1.3408 ( 13147 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8179 -39.8179 -39.7430 -39.7430 -12.5469 -12.5469 -12.4167 -12.4167 -6.6907 -6.6907 -2.2996 -2.2996 -2.2764 -2.2764 -1.0673 -1.0673 -0.7138 -0.7138 -0.6423 -0.6423 -0.2790 -0.2790 2.7535 2.7535 3.7627 3.7627 3.8119 3.8119 6.8628 6.8628 7.9634 7.9634 8.5549 8.5549 9.2012 9.2012 k = 0.6493 0.1243-1.3104 ( 13151 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8192 -39.8192 -39.7418 -39.7418 -12.5523 -12.5523 -12.4187 -12.4187 -6.6921 -6.6921 -2.2864 -2.2864 -2.2593 -2.2593 -1.0771 -1.0771 -0.7091 -0.7091 -0.6359 -0.6359 -0.2751 -0.2751 2.7685 2.7685 3.7693 3.7693 3.7997 3.7997 6.8669 6.8669 7.9867 7.9867 8.5696 8.5696 9.2043 9.2043 k = 0.6460 0.1236-1.2800 ( 13142 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8205 -39.8205 -39.7405 -39.7405 -12.5587 -12.5587 -12.4211 -12.4211 -6.6937 -6.6937 -2.2701 -2.2701 -2.2393 -2.2393 -1.0884 -1.0884 -0.7034 -0.7034 -0.6285 -0.6285 -0.2705 -0.2705 2.7859 2.7859 3.7760 3.7760 3.7865 3.7865 6.8751 6.8751 8.0107 8.0107 8.5868 8.5868 9.2040 9.2040 k = 0.6426 0.1230-1.2496 ( 13138 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8221 -39.8221 -39.7389 -39.7389 -12.5660 -12.5660 -12.4241 -12.4241 -6.6957 -6.6957 -2.2506 -2.2506 -2.2165 -2.2165 -1.1006 -1.1006 -0.6966 -0.6966 -0.6204 -0.6204 -0.2652 -0.2652 2.8057 2.8057 3.7666 3.7666 3.7888 3.7888 6.8874 6.8874 8.0353 8.0353 8.6065 8.6065 9.1998 9.1998 k = 0.6393 0.1224-1.2193 ( 13135 PWs) bands (ev): -43.2741 -43.2741 -41.2829 -41.2829 -41.2826 -41.2826 -39.8238 -39.8238 -39.7373 -39.7373 -12.5742 -12.5742 -12.4275 -12.4275 -6.6978 -6.6978 -2.2282 -2.2282 -2.1911 -2.1911 -1.1136 -1.1136 -0.6887 -0.6887 -0.6117 -0.6117 -0.2591 -0.2591 2.8279 2.8279 3.7482 3.7482 3.7994 3.7994 6.9034 6.9034 8.0603 8.0603 8.6286 8.6286 9.1917 9.1917 k = 0.6360 0.1217-1.1889 ( 13141 PWs) bands (ev): -43.2741 -43.2741 -41.2830 -41.2830 -41.2827 -41.2827 -39.8257 -39.8257 -39.7355 -39.7355 -12.5833 -12.5833 -12.4315 -12.4315 -6.7003 -6.7003 -2.2028 -2.2028 -2.1632 -2.1632 -1.1268 -1.1268 -0.6798 -0.6798 -0.6028 -0.6028 -0.2523 -0.2523 2.8522 2.8522 3.7278 3.7278 3.8117 3.8117 6.9229 6.9229 8.0853 8.0853 8.6530 8.6530 9.1799 9.1799 k = 0.6327 0.1211-1.1585 ( 13153 PWs) bands (ev): -43.2742 -43.2742 -41.2830 -41.2830 -41.2827 -41.2827 -39.8276 -39.8276 -39.7336 -39.7336 -12.5931 -12.5931 -12.4359 -12.4359 -6.7029 -6.7029 -2.1747 -2.1747 -2.1331 -2.1331 -1.1400 -1.1400 -0.6699 -0.6699 -0.5937 -0.5937 -0.2448 -0.2448 2.8787 2.8787 3.7059 3.7059 3.8254 3.8254 6.9458 6.9458 8.1102 8.1102 8.6795 8.6795 9.1652 9.1652 k = 0.6294 0.1205-1.1281 ( 13149 PWs) bands (ev): -43.2742 -43.2742 -41.2830 -41.2830 -41.2827 -41.2827 -39.8296 -39.8296 -39.7316 -39.7316 -12.6036 -12.6036 -12.4408 -12.4408 -6.7058 -6.7058 -2.1442 -2.1442 -2.1007 -2.1007 -1.1526 -1.1526 -0.6591 -0.6591 -0.5845 -0.5845 -0.2366 -0.2366 2.9071 2.9071 3.6827 3.6827 3.8404 3.8404 6.9715 6.9715 8.1346 8.1346 8.7077 8.7077 9.1488 9.1488 k = 0.6261 0.1198-1.0977 ( 13137 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8317 -39.8317 -39.7295 -39.7295 -12.6147 -12.6147 -12.4463 -12.4463 -6.7089 -6.7089 -2.1115 -2.1115 -2.0662 -2.0662 -1.1642 -1.1642 -0.6473 -0.6473 -0.5754 -0.5754 -0.2279 -0.2279 2.9372 2.9372 3.6586 3.6586 3.8568 3.8568 7.0000 7.0000 8.1582 8.1582 8.7368 8.7368 9.1321 9.1321 k = 0.6227 0.1192-1.0674 ( 13138 PWs) bands (ev): -43.2742 -43.2742 -41.2831 -41.2831 -41.2828 -41.2828 -39.8339 -39.8339 -39.7275 -39.7275 -12.6264 -12.6264 -12.4522 -12.4522 -6.7122 -6.7122 -2.0774 -2.0774 -2.0295 -2.0295 -1.1743 -1.1743 -0.6347 -0.6347 -0.5664 -0.5664 -0.2185 -0.2185 2.9689 2.9689 3.6340 3.6340 3.8743 3.8743 7.0307 7.0307 8.1806 8.1806 8.7658 8.7658 9.1167 9.1167 k = 0.6194 0.1186-1.0370 ( 13130 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2828 -41.2828 -39.8361 -39.8361 -39.7253 -39.7253 -12.6386 -12.6386 -12.4586 -12.4586 -6.7157 -6.7157 -2.0426 -2.0426 -1.9905 -1.9905 -1.1823 -1.1823 -0.6213 -0.6213 -0.5574 -0.5574 -0.2085 -0.2085 3.0017 3.0017 3.6094 3.6094 3.8931 3.8931 7.0635 7.0635 8.2014 8.2014 8.7927 8.7927 9.1053 9.1053 k = 0.6161 0.1179-1.0066 ( 13134 PWs) bands (ev): -43.2743 -43.2743 -41.2832 -41.2832 -41.2829 -41.2829 -39.8383 -39.8383 -39.7232 -39.7232 -12.6513 -12.6513 -12.4654 -12.4654 -6.7194 -6.7194 -2.0081 -2.0081 -1.9489 -1.9489 -1.1877 -1.1877 -0.6073 -0.6073 -0.5486 -0.5486 -0.1980 -0.1980 3.0353 3.0353 3.5851 3.5851 3.9130 3.9130 7.0977 7.0977 8.2202 8.2202 8.8148 8.8148 9.1011 9.1011 k = 0.6128 0.1173-0.9762 ( 13143 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2829 -41.2829 -39.8405 -39.8405 -39.7210 -39.7210 -12.6643 -12.6643 -12.4727 -12.4727 -6.7232 -6.7232 -1.9750 -1.9750 -1.9044 -1.9044 -1.1897 -1.1897 -0.5928 -0.5928 -0.5398 -0.5398 -0.1870 -0.1870 3.0689 3.0689 3.5621 3.5621 3.9340 3.9340 7.1332 7.1332 8.2363 8.2363 8.8293 8.8293 9.1076 9.1076 k = 0.6095 0.1167-0.9459 ( 13144 PWs) bands (ev): -43.2744 -43.2744 -41.2833 -41.2833 -41.2830 -41.2830 -39.8427 -39.8427 -39.7189 -39.7189 -12.6777 -12.6777 -12.4803 -12.4803 -6.7271 -6.7271 -1.9443 -1.9443 -1.8569 -1.8569 -1.1876 -1.1876 -0.5780 -0.5780 -0.5309 -0.5309 -0.1756 -0.1756 3.1018 3.1018 3.5413 3.5413 3.9560 3.9560 7.1694 7.1694 8.2490 8.2490 8.8344 8.8344 9.1268 9.1268 k = 0.6062 0.1160-0.9155 ( 13142 PWs) bands (ev): -43.2745 -43.2745 -41.2834 -41.2834 -41.2831 -41.2831 -39.8450 -39.8450 -39.7167 -39.7167 -12.6913 -12.6913 -12.4883 -12.4883 -6.7312 -6.7312 -1.9167 -1.9167 -1.8066 -1.8066 -1.1808 -1.1808 -0.5633 -0.5633 -0.5214 -0.5214 -0.1638 -0.1638 3.1324 3.1324 3.5240 3.5240 3.9790 3.9790 7.2059 7.2059 8.2578 8.2578 8.8311 8.8311 9.1581 9.1581 k = 0.6028 0.1154-0.8851 ( 13129 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2831 -41.2831 -39.8472 -39.8472 -39.7145 -39.7145 -12.7051 -12.7051 -12.4966 -12.4966 -6.7354 -6.7354 -1.8929 -1.8929 -1.7535 -1.7535 -1.1684 -1.1684 -0.5494 -0.5494 -0.5108 -0.5108 -0.1516 -0.1516 3.1590 3.1590 3.5124 3.5124 4.0029 4.0029 7.2423 7.2423 8.2617 8.2617 8.8222 8.8222 9.1993 9.1993 k = 0.5995 0.1147-0.8547 ( 13129 PWs) bands (ev): -43.2745 -43.2745 -41.2835 -41.2835 -41.2832 -41.2832 -39.8494 -39.8494 -39.7124 -39.7124 -12.7191 -12.7191 -12.5051 -12.5051 -6.7397 -6.7397 -1.8735 -1.8735 -1.6980 -1.6980 -1.1502 -1.1502 -0.5371 -0.5371 -0.4985 -0.4985 -0.1391 -0.1391 3.1789 3.1789 3.5089 3.5089 4.0276 4.0276 7.2779 7.2779 8.2600 8.2600 8.8106 8.8106 9.2477 9.2477 k = 0.5962 0.1141-0.8243 ( 13127 PWs) bands (ev): -43.2746 -43.2746 -41.2836 -41.2836 -41.2832 -41.2832 -39.8516 -39.8516 -39.7103 -39.7103 -12.7332 -12.7332 -12.5139 -12.5139 -6.7440 -6.7440 -1.8585 -1.8585 -1.6404 -1.6404 -1.1259 -1.1259 -0.5266 -0.5266 -0.4839 -0.4839 -0.1264 -0.1264 3.1901 3.1901 3.5157 3.5157 4.0531 4.0531 7.3123 7.3123 8.2522 8.2522 8.7981 8.7981 9.3013 9.3013 k = 0.5929 0.1135-0.7940 ( 13119 PWs) bands (ev): -43.2746 -43.2746 -41.2837 -41.2837 -41.2833 -41.2833 -39.8537 -39.8537 -39.7082 -39.7082 -12.7473 -12.7473 -12.5229 -12.5229 -6.7484 -6.7484 -1.8481 -1.8481 -1.5808 -1.5808 -1.0956 -1.0956 -0.5180 -0.5180 -0.4674 -0.4674 -0.1135 -0.1135 3.1916 3.1916 3.5337 3.5337 4.0793 4.0793 7.3450 7.3450 8.2377 8.2377 8.7857 8.7857 9.3587 9.3587 k = 0.5896 0.1128-0.7636 ( 13131 PWs) bands (ev): -43.2747 -43.2747 -41.2837 -41.2837 -41.2833 -41.2833 -39.8558 -39.8558 -39.7062 -39.7062 -12.7615 -12.7615 -12.5321 -12.5321 -6.7529 -6.7529 -1.8419 -1.8419 -1.5194 -1.5194 -1.0596 -1.0596 -0.5106 -0.5106 -0.4493 -0.4493 -0.1004 -0.1004 3.1844 3.1844 3.5619 3.5619 4.1061 4.1061 7.3753 7.3753 8.2165 8.2165 8.7737 8.7737 9.4187 9.4187 k = 0.5862 0.1122-0.7332 ( 13129 PWs) bands (ev): -43.2747 -43.2747 -41.2838 -41.2838 -41.2834 -41.2834 -39.8579 -39.8579 -39.7042 -39.7042 -12.7755 -12.7755 -12.5414 -12.5414 -6.7573 -6.7573 -1.8395 -1.8395 -1.4567 -1.4567 -1.0185 -1.0185 -0.5040 -0.5040 -0.4301 -0.4301 -0.0872 -0.0872 3.1707 3.1707 3.5982 3.5982 4.1335 4.1335 7.4027 7.4027 8.1889 8.1889 8.7616 8.7616 9.4804 9.4804 k = 0.5829 0.1116-0.7028 ( 13138 PWs) bands (ev): -43.2748 -43.2748 -41.2839 -41.2839 -41.2835 -41.2835 -39.8599 -39.8599 -39.7023 -39.7023 -12.7895 -12.7895 -12.5507 -12.5507 -6.7618 -6.7618 -1.8404 -1.8404 -1.3928 -1.3928 -0.9729 -0.9729 -0.4978 -0.4978 -0.4101 -0.4101 -0.0741 -0.0741 3.1525 3.1525 3.6404 3.6404 4.1612 4.1612 7.4266 7.4266 8.1552 8.1552 8.7485 8.7485 9.5429 9.5429 k = 0.5796 0.1109-0.6725 ( 13130 PWs) bands (ev): -43.2748 -43.2748 -41.2839 -41.2839 -41.2835 -41.2835 -39.8619 -39.8619 -39.7004 -39.7004 -12.8032 -12.8032 -12.5601 -12.5601 -6.7662 -6.7662 -1.8440 -1.8440 -1.3280 -1.3280 -0.9238 -0.9238 -0.4919 -0.4919 -0.3896 -0.3896 -0.0609 -0.0609 3.1314 3.1314 3.6868 3.6868 4.1893 4.1893 7.4464 7.4464 8.1160 8.1160 8.7333 8.7333 9.6049 9.6049 k = 0.5763 0.1103-0.6421 ( 13124 PWs) bands (ev): -43.2749 -43.2749 -41.2840 -41.2840 -41.2836 -41.2836 -39.8638 -39.8638 -39.6985 -39.6985 -12.8168 -12.8168 -12.5695 -12.5695 -6.7706 -6.7706 -1.8497 -1.8497 -1.2626 -1.2626 -0.8717 -0.8717 -0.4858 -0.4858 -0.3687 -0.3687 -0.0478 -0.0478 3.1086 3.1086 3.7363 3.7363 4.2177 4.2177 7.4616 7.4616 8.0720 8.0720 8.7149 8.7149 9.6649 9.6649 k = 0.5730 0.1097-0.6117 ( 13112 PWs) bands (ev): -43.2749 -43.2749 -41.2841 -41.2841 -41.2836 -41.2836 -39.8657 -39.8657 -39.6967 -39.6967 -12.8302 -12.8302 -12.5788 -12.5788 -6.7750 -6.7750 -1.8572 -1.8572 -1.1971 -1.1971 -0.8174 -0.8174 -0.4794 -0.4794 -0.3476 -0.3476 -0.0349 -0.0349 3.0849 3.0849 3.7880 3.7880 4.2461 4.2461 7.4716 7.4716 8.0239 8.0239 8.6922 8.6922 9.7198 9.7198 k = 0.5697 0.1090-0.5813 ( 13112 PWs) bands (ev): -43.2750 -43.2750 -41.2841 -41.2841 -41.2837 -41.2837 -39.8675 -39.8675 -39.6950 -39.6950 -12.8432 -12.8432 -12.5880 -12.5880 -6.7793 -6.7793 -1.8659 -1.8659 -1.1318 -1.1318 -0.7619 -0.7619 -0.4723 -0.4723 -0.3262 -0.3262 -0.0222 -0.0222 3.0607 3.0607 3.8412 3.8412 4.2746 4.2746 7.4761 7.4761 7.9722 7.9722 8.6647 8.6647 9.7626 9.7626 k = 0.5663 0.1084-0.5509 ( 13112 PWs) bands (ev): -43.2750 -43.2750 -41.2842 -41.2842 -41.2837 -41.2837 -39.8692 -39.8692 -39.6933 -39.6933 -12.8559 -12.8559 -12.5971 -12.5971 -6.7835 -6.7835 -1.8756 -1.8756 -1.0672 -1.0672 -0.7057 -0.7057 -0.4638 -0.4638 -0.3048 -0.3048 -0.0098 -0.0098 3.0366 3.0366 3.8954 3.8954 4.3030 4.3030 7.4747 7.4747 7.9175 7.9175 8.6324 8.6324 9.7821 9.7821 k = 0.5630 0.1078-0.5206 ( 13111 PWs) bands (ev): -43.2751 -43.2751 -41.2843 -41.2843 -41.2838 -41.2838 -39.8709 -39.8709 -39.6917 -39.6917 -12.8683 -12.8683 -12.6060 -12.6060 -6.7876 -6.7876 -1.8858 -1.8858 -1.0040 -1.0040 -0.6501 -0.6501 -0.4533 -0.4533 -0.2833 -0.2833 0.0023 0.0023 3.0127 3.0127 3.9502 3.9502 4.3311 4.3311 7.4672 7.4672 7.8603 7.8603 8.5957 8.5957 9.7824 9.7824 k = 0.5597 0.1071-0.4902 ( 13113 PWs) bands (ev): -43.2751 -43.2751 -41.2843 -41.2843 -41.2838 -41.2838 -39.8725 -39.8725 -39.6902 -39.6902 -12.8802 -12.8802 -12.6147 -12.6147 -6.7916 -6.7916 -1.8964 -1.8964 -0.9428 -0.9428 -0.5961 -0.5961 -0.4395 -0.4395 -0.2619 -0.2619 0.0140 0.0140 2.9892 2.9892 4.0053 4.0053 4.3589 4.3589 7.4537 7.4537 7.8010 7.8010 8.5555 8.5555 9.7795 9.7795 k = 0.5564 0.1065-0.4598 ( 13115 PWs) bands (ev): -43.2752 -43.2752 -41.2844 -41.2844 -41.2839 -41.2839 -39.8741 -39.8741 -39.6888 -39.6888 -12.8917 -12.8917 -12.6231 -12.6231 -6.7955 -6.7955 -1.9072 -1.9072 -0.8845 -0.8845 -0.5458 -0.5458 -0.4204 -0.4204 -0.2406 -0.2406 0.0253 0.0253 2.9663 2.9663 4.0603 4.0603 4.3862 4.3862 7.4343 7.4343 7.7402 7.7402 8.5129 8.5129 9.7801 9.7801 k = 0.5531 0.1059-0.4294 ( 13115 PWs) bands (ev): -43.2752 -43.2752 -41.2844 -41.2844 -41.2839 -41.2839 -39.8755 -39.8755 -39.6874 -39.6874 -12.9027 -12.9027 -12.6313 -12.6313 -6.7992 -6.7992 -1.9179 -1.9179 -0.8303 -0.8303 -0.5013 -0.5013 -0.3935 -0.3935 -0.2194 -0.2194 0.0360 0.0360 2.9442 2.9442 4.1149 4.1149 4.4130 4.4130 7.4096 7.4096 7.6781 7.6781 8.4690 8.4690 9.7856 9.7856 k = 0.5498 0.1052-0.3991 ( 13115 PWs) bands (ev): -43.2752 -43.2752 -41.2845 -41.2845 -41.2840 -41.2840 -39.8769 -39.8769 -39.6861 -39.6861 -12.9133 -12.9133 -12.6391 -12.6391 -6.8028 -6.8028 -1.9285 -1.9285 -0.7812 -0.7812 -0.4634 -0.4634 -0.3577 -0.3577 -0.1985 -0.1985 0.0463 0.0463 2.9229 2.9229 4.1687 4.1687 4.4389 4.4389 7.3801 7.3801 7.6154 7.6154 8.4250 8.4250 9.7957 9.7957 k = 0.5464 0.1046-0.3687 ( 13109 PWs) bands (ev): -43.2753 -43.2753 -41.2845 -41.2845 -41.2840 -41.2840 -39.8782 -39.8782 -39.6848 -39.6848 -12.9232 -12.9232 -12.6466 -12.6466 -6.8062 -6.8062 -1.9388 -1.9388 -0.7384 -0.7384 -0.4294 -0.4294 -0.3153 -0.3153 -0.1776 -0.1776 0.0560 0.0560 2.9026 2.9026 4.2214 4.2214 4.4641 4.4641 7.3467 7.3467 7.5525 7.5525 8.3817 8.3817 9.8100 9.8100 k = 0.5431 0.1040-0.3383 ( 13131 PWs) bands (ev): -43.2753 -43.2753 -41.2846 -41.2846 -41.2841 -41.2841 -39.8794 -39.8794 -39.6837 -39.6837 -12.9326 -12.9326 -12.6537 -12.6537 -6.8094 -6.8094 -1.9487 -1.9487 -0.7028 -0.7028 -0.3957 -0.3957 -0.2703 -0.2703 -0.1568 -0.1568 0.0651 0.0651 2.8833 2.8833 4.2728 4.2728 4.4882 4.4882 7.3102 7.3102 7.4898 7.4898 8.3398 8.3398 9.8274 9.8274 k = 0.5398 0.1033-0.3079 ( 13139 PWs) bands (ev): -43.2754 -43.2754 -41.2846 -41.2846 -41.2841 -41.2841 -39.8806 -39.8806 -39.6826 -39.6826 -12.9414 -12.9414 -12.6604 -12.6604 -6.8124 -6.8124 -1.9581 -1.9581 -0.6743 -0.6743 -0.3602 -0.3602 -0.2257 -0.2257 -0.1356 -0.1356 0.0736 0.0736 2.8651 2.8651 4.3224 4.3224 4.5112 4.5112 7.2717 7.2717 7.4281 7.4281 8.2998 8.2998 9.8473 9.8473 k = 0.5365 0.1027-0.2776 ( 13145 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8816 -39.8816 -39.6816 -39.6816 -12.9496 -12.9496 -12.6667 -12.6667 -6.8152 -6.8152 -1.9670 -1.9670 -0.6523 -0.6523 -0.3227 -0.3227 -0.1840 -0.1840 -0.1136 -0.1136 0.0816 0.0816 2.8480 2.8480 4.3700 4.3700 4.5329 4.5329 7.2321 7.2321 7.3680 7.3680 8.2622 8.2622 9.8689 9.8689 k = 0.5332 0.1020-0.2472 ( 13143 PWs) bands (ev): -43.2754 -43.2754 -41.2847 -41.2847 -41.2842 -41.2842 -39.8826 -39.8826 -39.6807 -39.6807 -12.9572 -12.9572 -12.6725 -12.6725 -6.8179 -6.8179 -1.9753 -1.9753 -0.6357 -0.6357 -0.2842 -0.2842 -0.1473 -0.1473 -0.0895 -0.0895 0.0890 0.0890 2.8322 2.8322 4.4151 4.4151 4.5533 4.5533 7.1926 7.1926 7.3100 7.3100 8.2271 8.2271 9.8916 9.8916 k = 0.5299 0.1014-0.2168 ( 13145 PWs) bands (ev): -43.2754 -43.2754 -41.2848 -41.2848 -41.2842 -41.2842 -39.8834 -39.8834 -39.6798 -39.6798 -12.9641 -12.9641 -12.6778 -12.6778 -6.8203 -6.8203 -1.9829 -1.9829 -0.6233 -0.6233 -0.2460 -0.2460 -0.1171 -0.1171 -0.0626 -0.0626 0.0960 0.0960 2.8177 2.8177 4.4574 4.4574 4.5721 4.5721 7.1540 7.1540 7.2550 7.2550 8.1948 8.1948 9.9147 9.9147 k = 0.5265 0.1008-0.1864 ( 13163 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8842 -39.8842 -39.6791 -39.6791 -12.9703 -12.9703 -12.6826 -12.6826 -6.8224 -6.8224 -1.9898 -1.9898 -0.6140 -0.6140 -0.2095 -0.2095 -0.0929 -0.0929 -0.0342 -0.0342 0.1027 0.1027 2.8045 2.8045 4.4965 4.4965 4.5894 4.5894 7.1171 7.1171 7.2035 7.2035 8.1653 8.1653 9.9379 9.9379 k = 0.5232 0.1001-0.1560 ( 13164 PWs) bands (ev): -43.2755 -43.2755 -41.2848 -41.2848 -41.2843 -41.2843 -39.8849 -39.8849 -39.6784 -39.6784 -12.9759 -12.9759 -12.6869 -12.6869 -6.8243 -6.8243 -1.9960 -1.9960 -0.6071 -0.6071 -0.1760 -0.1760 -0.0724 -0.0724 -0.0069 -0.0069 0.1094 0.1094 2.7927 2.7927 4.5321 4.5321 4.6049 4.6049 7.0828 7.0828 7.1562 7.1562 8.1389 8.1389 9.9605 9.9605 k = 0.5199 0.0995-0.1257 ( 13173 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2843 -41.2843 -39.8855 -39.8855 -39.6779 -39.6779 -12.9807 -12.9807 -12.6906 -12.6906 -6.8260 -6.8260 -2.0014 -2.0014 -0.6019 -0.6019 -0.1465 -0.1465 -0.0541 -0.0541 0.0170 0.0170 0.1163 0.1163 2.7824 2.7824 4.5638 4.5638 4.6186 4.6186 7.0517 7.0517 7.1138 7.1138 8.1156 8.1156 9.9823 9.9823 k = 0.5166 0.0989-0.0953 ( 13181 PWs) bands (ev): -43.2755 -43.2755 -41.2849 -41.2849 -41.2844 -41.2844 -39.8861 -39.8861 -39.6774 -39.6774 -12.9848 -12.9848 -12.6938 -12.6938 -6.8275 -6.8275 -2.0061 -2.0061 -0.5980 -0.5980 -0.1220 -0.1220 -0.0370 -0.0370 0.0362 0.0362 0.1238 0.1238 2.7736 2.7736 4.5912 4.5912 4.6305 4.6305 7.0244 7.0244 7.0769 7.0769 8.0956 8.0956 10.0027 10.0027 k = 0.5133 0.0982-0.0649 ( 13182 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8865 -39.8865 -39.6770 -39.6770 -12.9881 -12.9881 -12.6965 -12.6965 -6.8286 -6.8286 -2.0099 -2.0099 -0.5952 -0.5952 -0.1026 -0.1026 -0.0211 -0.0211 0.0503 0.0503 0.1316 0.1316 2.7663 2.7663 4.6139 4.6139 4.6405 4.6405 7.0015 7.0015 7.0459 7.0459 8.0790 8.0790 10.0213 10.0213 k = 0.5100 0.0976-0.0345 ( 13185 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8868 -39.8868 -39.6767 -39.6767 -12.9908 -12.9908 -12.6985 -12.6985 -6.8296 -6.8296 -2.0129 -2.0129 -0.5932 -0.5932 -0.0884 -0.0884 -0.0071 -0.0071 0.0595 0.0595 0.1391 0.1391 2.7606 2.7606 4.6315 4.6315 4.6487 4.6487 6.9832 6.9832 7.0213 7.0213 8.0660 8.0660 10.0374 10.0374 k = 0.5066 0.0970-0.0042 ( 13193 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8871 -39.8871 -39.6765 -39.6765 -12.9927 -12.9927 -12.7000 -12.7000 -6.8302 -6.8302 -2.0150 -2.0150 -0.5918 -0.5918 -0.0787 -0.0787 0.0041 0.0041 0.0650 0.0650 0.1455 0.1455 2.7565 2.7565 4.6436 4.6436 4.6553 4.6553 6.9699 6.9699 7.0035 7.0035 8.0566 8.0566 10.0504 10.0504 k = 0.5033 0.0963 0.0262 ( 13177 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9938 -12.9938 -12.7009 -12.7009 -6.8306 -6.8306 -2.0163 -2.0163 -0.5911 -0.5911 -0.0731 -0.0731 0.0113 0.0113 0.0677 0.0677 0.1497 0.1497 2.7540 2.7540 4.6501 4.6501 4.6601 4.6601 6.9618 6.9618 6.9926 6.9926 8.0509 8.0509 10.0590 10.0590 k = 0.5000 0.0957 0.0566 ( 13180 PWs) bands (ev): -43.2756 -43.2756 -41.2849 -41.2849 -41.2844 -41.2844 -39.8872 -39.8872 -39.6763 -39.6763 -12.9942 -12.9942 -12.7012 -12.7012 -6.8308 -6.8308 -2.0167 -2.0167 -0.5908 -0.5908 -0.0712 -0.0712 0.0138 0.0138 0.0685 0.0685 0.1511 0.1511 2.7532 2.7532 4.6520 4.6520 4.6620 4.6620 6.9592 6.9592 6.9890 6.9890 8.0490 8.0490 10.0620 10.0622 k = 0.5000-1.2583-0.7442 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8155 -39.8155 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3203 -2.3203 -2.3131 -2.3131 -1.0372 -1.0372 -0.7195 -0.7195 -0.6733 -0.6733 -0.2906 -0.2906 2.7746 2.7746 3.7558 3.7558 3.8265 3.8265 6.4743 6.4743 8.3247 8.3247 8.8611 8.8611 8.9034 8.9034 k = 0.5271-1.2504-0.7395 ( 13162 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3203 -2.3203 -2.3131 -2.3131 -1.0373 -1.0373 -0.7195 -0.7195 -0.6731 -0.6731 -0.2906 -0.2906 2.7741 2.7741 3.7558 3.7558 3.8266 3.8266 6.4774 6.4774 8.3224 8.3224 8.8279 8.8279 8.9362 8.9362 k = 0.5542-1.2424-0.7348 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6881 -6.6881 -2.3204 -2.3204 -2.3130 -2.3130 -1.0377 -1.0377 -0.7196 -0.7196 -0.6725 -0.6725 -0.2904 -0.2904 2.7726 2.7726 3.7556 3.7556 3.8268 3.8268 6.4867 6.4867 8.3152 8.3152 8.7808 8.7808 8.9823 8.9823 k = 0.5813-1.2344-0.7301 ( 13166 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7454 -39.7454 -12.5365 -12.5365 -12.4130 -12.4130 -6.6882 -6.6882 -2.3205 -2.3205 -2.3128 -2.3128 -1.0382 -1.0382 -0.7197 -0.7197 -0.6716 -0.6716 -0.2902 -0.2902 2.7701 2.7701 3.7554 3.7554 3.8271 3.8271 6.5022 6.5022 8.3025 8.3025 8.7346 8.7346 9.0271 9.0271 k = 0.6084-1.2264-0.7254 ( 13160 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7454 -39.7454 -12.5366 -12.5366 -12.4130 -12.4130 -6.6882 -6.6882 -2.3206 -2.3206 -2.3125 -2.3125 -1.0390 -1.0390 -0.7198 -0.7198 -0.6703 -0.6703 -0.2899 -0.2899 2.7668 2.7668 3.7550 3.7550 3.8276 3.8276 6.5236 6.5236 8.2837 8.2837 8.6916 8.6916 9.0687 9.0687 k = 0.6355-1.2185-0.7207 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5366 -12.5366 -12.4130 -12.4130 -6.6882 -6.6882 -2.3207 -2.3207 -2.3121 -2.3121 -1.0399 -1.0399 -0.7200 -0.7200 -0.6687 -0.6687 -0.2895 -0.2895 2.7627 2.7627 3.7546 3.7546 3.8282 3.8282 6.5509 6.5509 8.2580 8.2580 8.6533 8.6533 9.1058 9.1058 k = 0.6625-1.2105-0.7159 ( 13156 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5367 -12.5367 -12.4131 -12.4131 -6.6882 -6.6882 -2.3208 -2.3208 -2.3116 -2.3116 -1.0410 -1.0410 -0.7203 -0.7203 -0.6669 -0.6669 -0.2890 -0.2890 2.7579 2.7579 3.7541 3.7541 3.8289 3.8289 6.5837 6.5837 8.2248 8.2248 8.6206 8.6206 9.1375 9.1375 k = 0.6896-1.2025-0.7112 ( 13150 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5368 -12.5368 -12.4131 -12.4131 -6.6882 -6.6882 -2.3210 -2.3210 -2.3111 -2.3111 -1.0423 -1.0423 -0.7205 -0.7205 -0.6649 -0.6649 -0.2885 -0.2885 2.7526 2.7526 3.7536 3.7536 3.8298 3.8298 6.6217 6.6217 8.1841 8.1841 8.5938 8.5938 9.1628 9.1628 k = 0.7167-1.1945-0.7065 ( 13145 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8156 -39.8156 -39.7453 -39.7453 -12.5369 -12.5369 -12.4131 -12.4131 -6.6882 -6.6882 -2.3211 -2.3211 -2.3106 -2.3106 -1.0436 -1.0436 -0.7208 -0.7208 -0.6627 -0.6627 -0.2879 -0.2879 2.7470 2.7470 3.7530 3.7530 3.8306 3.8306 6.6647 6.6647 8.1366 8.1366 8.5725 8.5725 9.1809 9.1809 k = 0.7438-1.1866-0.7018 ( 13136 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8157 -39.8157 -39.7453 -39.7453 -12.5370 -12.5370 -12.4132 -12.4132 -6.6883 -6.6883 -2.3212 -2.3212 -2.3099 -2.3099 -1.0449 -1.0449 -0.7210 -0.7210 -0.6604 -0.6604 -0.2874 -0.2874 2.7412 2.7412 3.7524 3.7524 3.8315 3.8315 6.7122 6.7122 8.0834 8.0834 8.5558 8.5558 9.1914 9.1914 k = 0.7709-1.1786-0.6971 ( 13131 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8157 -39.8157 -39.7452 -39.7452 -12.5371 -12.5371 -12.4132 -12.4132 -6.6883 -6.6883 -2.3214 -2.3214 -2.3093 -2.3093 -1.0463 -1.0463 -0.7213 -0.7213 -0.6581 -0.6581 -0.2868 -0.2868 2.7353 2.7353 3.7519 3.7519 3.8325 3.8325 6.7637 6.7637 8.0254 8.0254 8.5429 8.5429 9.1943 9.1943 k = 0.7980-1.1706-0.6924 ( 13133 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8157 -39.8157 -39.7452 -39.7452 -12.5372 -12.5372 -12.4133 -12.4133 -6.6883 -6.6883 -2.3214 -2.3214 -2.3085 -2.3085 -1.0477 -1.0477 -0.7215 -0.7215 -0.6558 -0.6558 -0.2862 -0.2862 2.7297 2.7297 3.7514 3.7514 3.8333 3.8333 6.8188 6.8188 7.9638 7.9638 8.5329 8.5329 9.1902 9.1902 k = 0.8251-1.1626-0.6876 ( 13140 PWs) bands (ev): -43.2740 -43.2740 -41.2828 -41.2828 -41.2825 -41.2825 -39.8158 -39.8158 -39.7452 -39.7452 -12.5373 -12.5373 -12.4133 -12.4133 -6.6883 -6.6883 -2.3215 -2.3215 -2.3078 -2.3078 -1.0490 -1.0490 -0.7217 -0.7217 -0.6536 -0.6536 -0.2856 -0.2856 2.7243 2.7243 3.7509 3.7509 3.8341 3.8341 6.8768 6.8768 7.8997 7.8997 8.5252 8.5252 9.1807 9.1807 Writing output data file Li5NCl2.save init_run : 1.50s CPU 0.90s WALL ( 1 calls) electrons : 948.88s CPU 701.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.40s CPU 0.23s WALL ( 1 calls) Called by electrons: c_bands : 948.87s CPU 701.86s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.03s WALL ( 1 calls) newd : 0.23s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.49s CPU 0.49s WALL ( 316 calls) cegterg : 666.46s CPU 501.51s WALL ( 441 calls) Called by sum_band: Called by *egterg: h_psi : 712.34s CPU 468.23s WALL ( 7241 calls) s_psi : 5.07s CPU 4.72s WALL ( 7241 calls) g_psi : 0.32s CPU 0.27s WALL ( 6484 calls) cdiaghg : 97.42s CPU 95.10s WALL ( 6800 calls) cegterg:over : 10.28s CPU 10.52s WALL ( 6484 calls) cegterg:upda : 7.54s CPU 7.90s WALL ( 6484 calls) cegterg:last : 3.46s CPU 3.60s WALL ( 1073 calls) cdiaghg:chol : 3.84s CPU 3.66s WALL ( 6800 calls) cdiaghg:inve : 1.16s CPU 1.21s WALL ( 6800 calls) cdiaghg:para : 6.37s CPU 6.29s WALL ( 13600 calls) Called by h_psi: h_psi:vloc : 696.82s CPU 454.12s WALL ( 7241 calls) h_psi:vnl : 15.22s CPU 13.84s WALL ( 7241 calls) add_vuspsi : 7.04s CPU 6.32s WALL ( 7241 calls) General routines calbec : 8.12s CPU 7.49s WALL ( 7241 calls) fft : 0.14s CPU 0.08s WALL ( 15 calls) fftw : 668.16s CPU 429.20s WALL ( 614436 calls) davcio : 0.40s CPU 1.16s WALL ( 632 calls) Parallel routines fft_scatter : 245.98s CPU 206.91s WALL ( 614451 calls) PWSCF : 16m43.57s CPU 13m 7.20s WALL This run was terminated on: 23:23:53 21Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=