Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:43:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlCuO2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 24 7 739 320 57 Max 42 25 8 742 334 59 Sum 1507 873 277 26671 11795 2079 bravais-lattice index = 14 lattice parameter (alat) = 11.1245 a.u. unit-cell volume = 270.6564 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.124494 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.881737 celldm(5)= 0.881737 celldm(6)= 0.881737 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.881737 0.471742 0.000000 ) a(3) = ( 0.881737 0.221047 0.416748 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.869109 -1.124364 ) b(2) = ( 0.000000 2.119804 -1.124364 ) b(3) = ( 0.000000 0.000000 2.399534 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 1.00) Al 3.00 26.98150 Al( 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= 414 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0076923 -0.0143778 -0.0086490), wk = 0.0024155 k( 3) = ( 0.0153846 -0.0287555 -0.0172979), wk = 0.0024155 k( 4) = ( 0.0230769 -0.0431333 -0.0259469), wk = 0.0024155 k( 5) = ( 0.0307692 -0.0575110 -0.0345958), wk = 0.0024155 k( 6) = ( 0.0384615 -0.0718888 -0.0432448), wk = 0.0024155 k( 7) = ( 0.0461539 -0.0862666 -0.0518937), wk = 0.0024155 k( 8) = ( 0.0538462 -0.1006443 -0.0605427), wk = 0.0024155 k( 9) = ( 0.0615385 -0.1150221 -0.0691916), wk = 0.0024155 k( 10) = ( 0.0692308 -0.1293998 -0.0778406), wk = 0.0024155 k( 11) = ( 0.0769231 -0.1437776 -0.0864895), wk = 0.0024155 k( 12) = ( 0.0846154 -0.1581554 -0.0951385), wk = 0.0024155 k( 13) = ( 0.0923077 -0.1725331 -0.1037874), wk = 0.0024155 k( 14) = ( 0.1000000 -0.1869109 -0.1124364), wk = 0.0024155 k( 15) = ( 0.1076923 -0.2012886 -0.1210854), wk = 0.0024155 k( 16) = ( 0.1153846 -0.2156664 -0.1297343), wk = 0.0024155 k( 17) = ( 0.1230769 -0.2300442 -0.1383833), wk = 0.0024155 k( 18) = ( 0.1307692 -0.2444219 -0.1470322), wk = 0.0024155 k( 19) = ( 0.1384615 -0.2587997 -0.1556812), wk = 0.0024155 k( 20) = ( 0.1461539 -0.2731774 -0.1643301), wk = 0.0024155 k( 21) = ( 0.1538461 -0.2875552 -0.1729791), wk = 0.0024155 k( 22) = ( 0.1615385 -0.3019330 -0.1816280), wk = 0.0024155 k( 23) = ( 0.1692308 -0.3163107 -0.1902770), wk = 0.0024155 k( 24) = ( 0.1769231 -0.3306885 -0.1989259), wk = 0.0024155 k( 25) = ( 0.1846154 -0.3450662 -0.2075749), wk = 0.0024155 k( 26) = ( 0.1923077 -0.3594440 -0.2162238), wk = 0.0024155 k( 27) = ( 0.2000000 -0.3738218 -0.2248728), wk = 0.0024155 k( 28) = ( 0.2076923 -0.3881995 -0.2335218), wk = 0.0024155 k( 29) = ( 0.2153846 -0.4025773 -0.2421707), wk = 0.0024155 k( 30) = ( 0.2230769 -0.4169550 -0.2508197), wk = 0.0024155 k( 31) = ( 0.2307692 -0.4313328 -0.2594686), wk = 0.0024155 k( 32) = ( 0.2384615 -0.4457106 -0.2681176), wk = 0.0024155 k( 33) = ( 0.2461539 -0.4600883 -0.2767665), wk = 0.0024155 k( 34) = ( 0.2538461 -0.4744661 -0.2854155), wk = 0.0024155 k( 35) = ( 0.2615385 -0.4888438 -0.2940644), wk = 0.0024155 k( 36) = ( 0.2692308 -0.5032216 -0.3027134), wk = 0.0024155 k( 37) = ( 0.2769231 -0.5175994 -0.3113623), wk = 0.0024155 k( 38) = ( 0.2846154 -0.5319771 -0.3200113), wk = 0.0024155 k( 39) = ( 0.2923077 -0.5463549 -0.3286602), wk = 0.0024155 k( 40) = ( 0.3000000 -0.5607326 -0.3373092), wk = 0.0024155 k( 41) = ( 0.3076923 -0.5751104 -0.3459582), wk = 0.0024155 k( 42) = ( 0.3153846 -0.5894882 -0.3546071), wk = 0.0024155 k( 43) = ( 0.3230769 -0.6038659 -0.3632561), wk = 0.0024155 k( 44) = ( 0.3307692 -0.6182437 -0.3719050), wk = 0.0024155 k( 45) = ( 0.3384615 -0.6326214 -0.3805540), wk = 0.0024155 k( 46) = ( 0.3461538 -0.6469992 -0.3892029), wk = 0.0024155 k( 47) = ( 0.3538462 -0.6613769 -0.3978519), wk = 0.0024155 k( 48) = ( 0.3615385 -0.6757547 -0.4065008), wk = 0.0024155 k( 49) = ( 0.3692308 -0.6901325 -0.4151498), wk = 0.0024155 k( 50) = ( 0.3769231 -0.7045102 -0.4237987), wk = 0.0024155 k( 51) = ( 0.3846154 -0.7188880 -0.4324477), wk = 0.0024155 k( 52) = ( 0.3923077 -0.7332658 -0.4410966), wk = 0.0024155 k( 53) = ( 0.4000000 -0.7476435 -0.4497456), wk = 0.0024155 k( 54) = ( 0.4076923 -0.7620213 -0.4583946), wk = 0.0024155 k( 55) = ( 0.4153846 -0.7763990 -0.4670435), wk = 0.0024155 k( 56) = ( 0.4230769 -0.7907768 -0.4756925), wk = 0.0024155 k( 57) = ( 0.4307692 -0.8051546 -0.4843414), wk = 0.0024155 k( 58) = ( 0.4384615 -0.8195323 -0.4929904), wk = 0.0024155 k( 59) = ( 0.4461539 -0.8339101 -0.5016393), wk = 0.0024155 k( 60) = ( 0.4538462 -0.8482878 -0.5102883), wk = 0.0024155 k( 61) = ( 0.4615385 -0.8626656 -0.5189372), wk = 0.0024155 k( 62) = ( 0.4692308 -0.8770434 -0.5275862), wk = 0.0024155 k( 63) = ( 0.4769231 -0.8914211 -0.5362351), wk = 0.0024155 k( 64) = ( 0.4846154 -0.9057989 -0.5448841), wk = 0.0024155 k( 65) = ( 0.4923077 -0.9201766 -0.5535330), wk = 0.0024155 k( 66) = ( 0.5000000 -0.9345544 -0.5621820), wk = 0.0024155 k( 67) = ( 0.5000000 -0.9345544 -0.5621820), wk = 0.0024155 k( 68) = ( 0.5000000 -0.9249659 -0.5781216), wk = 0.0024155 k( 69) = ( 0.5000000 -0.9153774 -0.5940613), wk = 0.0024155 k( 70) = ( 0.5000000 -0.9057889 -0.6100009), wk = 0.0024155 k( 71) = ( 0.5000000 -0.8962004 -0.6259405), wk = 0.0024155 k( 72) = ( 0.5000000 -0.8866119 -0.6418801), wk = 0.0024155 k( 73) = ( 0.5000000 -0.8770234 -0.6578197), wk = 0.0024155 k( 74) = ( 0.5000000 -0.8674349 -0.6737593), wk = 0.0024155 k( 75) = ( 0.5000000 -0.8578465 -0.6896990), wk = 0.0024155 k( 76) = ( 0.5000000 -0.8482579 -0.7056386), wk = 0.0024155 k( 77) = ( 0.5000000 -0.8386695 -0.7215782), wk = 0.0024155 k( 78) = ( 0.5000000 -0.8290810 -0.7375178), wk = 0.0024155 k( 79) = ( 0.5000000 -0.8194925 -0.7534574), wk = 0.0024155 k( 80) = ( 0.5000000 -0.8099040 -0.7693971), wk = 0.0024155 k( 81) = ( 0.5000000 -0.8003155 -0.7853367), wk = 0.0024155 k( 82) = ( 0.5000000 -0.7907270 -0.8012763), wk = 0.0024155 k( 83) = ( 0.5000000 -0.7811385 -0.8172160), wk = 0.0024155 k( 84) = ( 0.5000000 -0.7715500 -0.8331556), wk = 0.0024155 k( 85) = ( 0.5000000 -0.7619615 -0.8490952), wk = 0.0024155 k( 86) = ( 0.5000000 -0.7523730 -0.8650348), wk = 0.0024155 k( 87) = ( 0.5000000 -0.7427845 -0.8809744), wk = 0.0024155 k( 88) = ( 0.5000000 -0.7331960 -0.8969140), wk = 0.0024155 k( 89) = ( 0.5000000 -0.7236076 -0.9128537), wk = 0.0024155 k( 90) = ( 0.5000000 -0.7140190 -0.9287933), wk = 0.0024155 k( 91) = ( 0.5000000 -0.7044306 -0.9447329), wk = 0.0024155 k( 92) = ( 0.5000000 -0.6948421 -0.9606725), wk = 0.0024155 k( 93) = ( 0.5000000 -0.6852536 -0.9766122), wk = 0.0024155 k( 94) = ( 0.5000000 -0.6756651 -0.9925518), wk = 0.0024155 k( 95) = ( 0.5000000 -0.6660766 -1.0084914), wk = 0.0024155 k( 96) = ( 0.5000000 -0.6564881 -1.0244310), wk = 0.0024155 k( 97) = ( 0.5000000 -0.6468996 -1.0403707), wk = 0.0024155 k( 98) = ( 0.5000000 -0.6373111 -1.0563103), wk = 0.0024155 k( 99) = ( 0.5000000 -0.6277226 -1.0722499), wk = 0.0024155 k( 100) = ( 0.5000000 -0.6181341 -1.0881895), wk = 0.0024155 k( 101) = ( 0.5000000 -0.6085456 -1.1041291), wk = 0.0024155 k( 102) = ( 0.5000000 -0.5989571 -1.1200687), wk = 0.0024155 k( 103) = ( 0.5000000 -0.5893687 -1.1360084), wk = 0.0024155 k( 104) = ( 0.5000000 -0.5797801 -1.1519480), wk = 0.0024155 k( 105) = ( 0.5000000 -0.5701917 -1.1678876), wk = 0.0024155 k( 106) = ( 0.5000000 -0.5606032 -1.1838272), wk = 0.0024155 k( 107) = ( 0.5000000 -0.5510147 -1.1997669), wk = 0.0024155 k( 108) = ( 0.8190683 -0.4710259 -1.0489611), wk = 0.0024155 k( 109) = ( 0.8145744 -0.4626263 -1.0331250), wk = 0.0024155 k( 110) = ( 0.8100804 -0.4542266 -1.0172889), wk = 0.0024155 k( 111) = ( 0.8055865 -0.4458270 -1.0014528), wk = 0.0024155 k( 112) = ( 0.8010926 -0.4374274 -0.9856167), wk = 0.0024155 k( 113) = ( 0.7965987 -0.4290278 -0.9697806), wk = 0.0024155 k( 114) = ( 0.7921048 -0.4206281 -0.9539445), wk = 0.0024155 k( 115) = ( 0.7876108 -0.4122285 -0.9381083), wk = 0.0024155 k( 116) = ( 0.7831169 -0.4038289 -0.9222722), wk = 0.0024155 k( 117) = ( 0.7786230 -0.3954293 -0.9064361), wk = 0.0024155 k( 118) = ( 0.7741291 -0.3870296 -0.8906000), wk = 0.0024155 k( 119) = ( 0.7696352 -0.3786300 -0.8747639), wk = 0.0024155 k( 120) = ( 0.7651412 -0.3702304 -0.8589278), wk = 0.0024155 k( 121) = ( 0.7606473 -0.3618308 -0.8430917), wk = 0.0024155 k( 122) = ( 0.7561534 -0.3534311 -0.8272555), wk = 0.0024155 k( 123) = ( 0.7516595 -0.3450315 -0.8114194), wk = 0.0024155 k( 124) = ( 0.7471656 -0.3366319 -0.7955833), wk = 0.0024155 k( 125) = ( 0.7426717 -0.3282323 -0.7797472), wk = 0.0024155 k( 126) = ( 0.7381777 -0.3198326 -0.7639111), wk = 0.0024155 k( 127) = ( 0.7336838 -0.3114330 -0.7480750), wk = 0.0024155 k( 128) = ( 0.7291899 -0.3030334 -0.7322389), wk = 0.0024155 k( 129) = ( 0.7246960 -0.2946338 -0.7164027), wk = 0.0024155 k( 130) = ( 0.7202021 -0.2862341 -0.7005666), wk = 0.0024155 k( 131) = ( 0.7157081 -0.2778345 -0.6847306), wk = 0.0024155 k( 132) = ( 0.7112142 -0.2694349 -0.6688944), wk = 0.0024155 k( 133) = ( 0.7067203 -0.2610353 -0.6530583), wk = 0.0024155 k( 134) = ( 0.7022264 -0.2526357 -0.6372222), wk = 0.0024155 k( 135) = ( 0.6977325 -0.2442360 -0.6213861), wk = 0.0024155 k( 136) = ( 0.6932385 -0.2358364 -0.6055500), wk = 0.0024155 k( 137) = ( 0.6887446 -0.2274368 -0.5897139), wk = 0.0024155 k( 138) = ( 0.6842507 -0.2190372 -0.5738778), wk = 0.0024155 k( 139) = ( 0.6797568 -0.2106375 -0.5580416), wk = 0.0024155 k( 140) = ( 0.6752629 -0.2022379 -0.5422055), wk = 0.0024155 k( 141) = ( 0.6707689 -0.1938383 -0.5263694), wk = 0.0024155 k( 142) = ( 0.6662750 -0.1854387 -0.5105333), wk = 0.0024155 k( 143) = ( 0.6617811 -0.1770390 -0.4946972), wk = 0.0024155 k( 144) = ( 0.6572872 -0.1686394 -0.4788611), wk = 0.0024155 k( 145) = ( 0.6527933 -0.1602398 -0.4630250), wk = 0.0024155 k( 146) = ( 0.6482993 -0.1518402 -0.4471888), wk = 0.0024155 k( 147) = ( 0.6438054 -0.1434405 -0.4313527), wk = 0.0024155 k( 148) = ( 0.6393115 -0.1350409 -0.4155166), wk = 0.0024155 k( 149) = ( 0.6348176 -0.1266413 -0.3996805), wk = 0.0024155 k( 150) = ( 0.6303237 -0.1182417 -0.3838444), wk = 0.0024155 k( 151) = ( 0.6258297 -0.1098420 -0.3680083), wk = 0.0024155 k( 152) = ( 0.6213358 -0.1014424 -0.3521722), wk = 0.0024155 k( 153) = ( 0.6168419 -0.0930428 -0.3363361), wk = 0.0024155 k( 154) = ( 0.6123480 -0.0846432 -0.3205000), wk = 0.0024155 k( 155) = ( 0.6078541 -0.0762435 -0.3046638), wk = 0.0024155 k( 156) = ( 0.6033601 -0.0678439 -0.2888277), wk = 0.0024155 k( 157) = ( 0.5988662 -0.0594443 -0.2729916), wk = 0.0024155 k( 158) = ( 0.5943723 -0.0510447 -0.2571555), wk = 0.0024155 k( 159) = ( 0.5898784 -0.0426450 -0.2413194), wk = 0.0024155 k( 160) = ( 0.5853845 -0.0342454 -0.2254833), wk = 0.0024155 k( 161) = ( 0.5808906 -0.0258458 -0.2096472), wk = 0.0024155 k( 162) = ( 0.5763966 -0.0174462 -0.1938110), wk = 0.0024155 k( 163) = ( 0.5719027 -0.0090465 -0.1779749), wk = 0.0024155 k( 164) = ( 0.5674088 -0.0006469 -0.1621388), wk = 0.0024155 k( 165) = ( 0.5629149 0.0077527 -0.1463027), wk = 0.0024155 k( 166) = ( 0.5584210 0.0161523 -0.1304666), wk = 0.0024155 k( 167) = ( 0.5539270 0.0245520 -0.1146305), wk = 0.0024155 k( 168) = ( 0.5494331 0.0329516 -0.0987944), wk = 0.0024155 k( 169) = ( 0.5449392 0.0413512 -0.0829582), wk = 0.0024155 k( 170) = ( 0.5404453 0.0497508 -0.0671222), wk = 0.0024155 k( 171) = ( 0.5359514 0.0581504 -0.0512861), wk = 0.0024155 k( 172) = ( 0.5314574 0.0665501 -0.0354499), wk = 0.0024155 k( 173) = ( 0.5269635 0.0749497 -0.0196138), wk = 0.0024155 k( 174) = ( 0.5224696 0.0833493 -0.0037777), wk = 0.0024155 k( 175) = ( 0.5179757 0.0917489 0.0120584), wk = 0.0024155 k( 176) = ( 0.5134818 0.1001486 0.0278945), wk = 0.0024155 k( 177) = ( 0.5089878 0.1085482 0.0437306), wk = 0.0024155 k( 178) = ( 0.5044939 0.1169478 0.0595668), wk = 0.0024155 k( 179) = ( 0.5000000 0.1253474 0.0754029), wk = 0.0024155 k( 180) = ( 0.5000000 0.1253474 0.0754029), wk = 0.0024155 k( 181) = ( 0.4821429 0.1208708 0.0727099), wk = 0.0024155 k( 182) = ( 0.4642857 0.1163941 0.0700169), wk = 0.0024155 k( 183) = ( 0.4464286 0.1119174 0.0673240), wk = 0.0024155 k( 184) = ( 0.4285714 0.1074407 0.0646310), wk = 0.0024155 k( 185) = ( 0.4107143 0.1029640 0.0619381), wk = 0.0024155 k( 186) = ( 0.3928571 0.0984873 0.0592451), wk = 0.0024155 k( 187) = ( 0.3750000 0.0940106 0.0565521), wk = 0.0024155 k( 188) = ( 0.3571429 0.0895339 0.0538592), wk = 0.0024155 k( 189) = ( 0.3392857 0.0850572 0.0511662), wk = 0.0024155 k( 190) = ( 0.3214286 0.0805805 0.0484733), wk = 0.0024155 k( 191) = ( 0.3035714 0.0761038 0.0457803), wk = 0.0024155 k( 192) = ( 0.2857143 0.0716271 0.0430874), wk = 0.0024155 k( 193) = ( 0.2678571 0.0671504 0.0403944), wk = 0.0024155 k( 194) = ( 0.2500000 0.0626737 0.0377014), wk = 0.0024155 k( 195) = ( 0.2321429 0.0581970 0.0350085), wk = 0.0024155 k( 196) = ( 0.2142857 0.0537203 0.0323155), wk = 0.0024155 k( 197) = ( 0.1964286 0.0492436 0.0296226), wk = 0.0024155 k( 198) = ( 0.1785714 0.0447669 0.0269296), wk = 0.0024155 k( 199) = ( 0.1607143 0.0402903 0.0242366), wk = 0.0024155 k( 200) = ( 0.1428571 0.0358136 0.0215437), wk = 0.0024155 k( 201) = ( 0.1250000 0.0313369 0.0188507), wk = 0.0024155 k( 202) = ( 0.1071429 0.0268602 0.0161578), wk = 0.0024155 k( 203) = ( 0.0892857 0.0223835 0.0134648), wk = 0.0024155 k( 204) = ( 0.0714286 0.0179068 0.0107718), wk = 0.0024155 k( 205) = ( 0.0535714 0.0134301 0.0080789), wk = 0.0024155 k( 206) = ( 0.0357143 0.0089534 0.0053859), wk = 0.0024155 k( 207) = ( 0.0178571 0.0044767 0.0026930), wk = 0.0024155 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 210) = ( 0.0045395 -0.0084849 -0.0159969), wk = 0.0024155 k( 211) = ( 0.0090791 -0.0169698 -0.0319938), wk = 0.0024155 k( 212) = ( 0.0136186 -0.0254547 -0.0479907), wk = 0.0024155 k( 213) = ( 0.0181582 -0.0339396 -0.0639876), wk = 0.0024155 k( 214) = ( 0.0226977 -0.0424245 -0.0799844), wk = 0.0024155 k( 215) = ( 0.0272373 -0.0509094 -0.0959814), wk = 0.0024155 k( 216) = ( 0.0317768 -0.0593943 -0.1119782), wk = 0.0024155 k( 217) = ( 0.0363164 -0.0678792 -0.1279751), wk = 0.0024155 k( 218) = ( 0.0408559 -0.0763641 -0.1439720), wk = 0.0024155 k( 219) = ( 0.0453954 -0.0848490 -0.1599689), wk = 0.0024155 k( 220) = ( 0.0499350 -0.0933339 -0.1759658), wk = 0.0024155 k( 221) = ( 0.0544745 -0.1018188 -0.1919627), wk = 0.0024155 k( 222) = ( 0.0590141 -0.1103037 -0.2079596), wk = 0.0024155 k( 223) = ( 0.0635536 -0.1187886 -0.2239565), wk = 0.0024155 k( 224) = ( 0.0680932 -0.1272735 -0.2399534), wk = 0.0024155 k( 225) = ( 0.0726327 -0.1357585 -0.2559503), wk = 0.0024155 k( 226) = ( 0.0771723 -0.1442433 -0.2719471), wk = 0.0024155 k( 227) = ( 0.0817118 -0.1527283 -0.2879441), wk = 0.0024155 k( 228) = ( 0.0862514 -0.1612132 -0.3039409), wk = 0.0024155 k( 229) = ( 0.0907909 -0.1696981 -0.3199378), wk = 0.0024155 k( 230) = ( 0.0953304 -0.1781830 -0.3359347), wk = 0.0024155 k( 231) = ( 0.0998700 -0.1866679 -0.3519316), wk = 0.0024155 k( 232) = ( 0.1044095 -0.1951528 -0.3679285), wk = 0.0024155 k( 233) = ( 0.1089491 -0.2036377 -0.3839254), wk = 0.0024155 k( 234) = ( 0.1134886 -0.2121226 -0.3999223), wk = 0.0024155 k( 235) = ( 0.1180282 -0.2206075 -0.4159192), wk = 0.0024155 k( 236) = ( 0.1225677 -0.2290924 -0.4319161), wk = 0.0024155 k( 237) = ( 0.1271073 -0.2375773 -0.4479129), wk = 0.0024155 k( 238) = ( 0.1316468 -0.2460622 -0.4639099), wk = 0.0024155 k( 239) = ( 0.1361863 -0.2545471 -0.4799067), wk = 0.0024155 k( 240) = ( 0.1407259 -0.2630320 -0.4959036), wk = 0.0024155 k( 241) = ( 0.1452654 -0.2715169 -0.5119005), wk = 0.0024155 k( 242) = ( 0.1498050 -0.2800018 -0.5278974), wk = 0.0024155 k( 243) = ( 0.1543445 -0.2884867 -0.5438943), wk = 0.0024155 k( 244) = ( 0.1588841 -0.2969716 -0.5598912), wk = 0.0024155 k( 245) = ( 0.1634236 -0.3054565 -0.5758881), wk = 0.0024155 k( 246) = ( 0.1679632 -0.3139414 -0.5918850), wk = 0.0024155 k( 247) = ( 0.1725027 -0.3224263 -0.6078819), wk = 0.0024155 k( 248) = ( 0.1770423 -0.3309112 -0.6238788), wk = 0.0024155 k( 249) = ( 0.1815818 -0.3393961 -0.6398757), wk = 0.0024155 k( 250) = ( 0.1861213 -0.3478810 -0.6558726), wk = 0.0024155 k( 251) = ( 0.1906609 -0.3563659 -0.6718694), wk = 0.0024155 k( 252) = ( 0.1952004 -0.3648508 -0.6878663), wk = 0.0024155 k( 253) = ( 0.1997400 -0.3733357 -0.7038632), wk = 0.0024155 k( 254) = ( 0.2042795 -0.3818206 -0.7198601), wk = 0.0024155 k( 255) = ( 0.2088191 -0.3903055 -0.7358570), wk = 0.0024155 k( 256) = ( 0.2133586 -0.3987904 -0.7518539), wk = 0.0024155 k( 257) = ( 0.2178982 -0.4072753 -0.7678508), wk = 0.0024155 k( 258) = ( 0.2224377 -0.4157602 -0.7838477), wk = 0.0024155 k( 259) = ( 0.2269772 -0.4242452 -0.7998446), wk = 0.0024155 k( 260) = ( 0.2315168 -0.4327300 -0.8158414), wk = 0.0024155 k( 261) = ( 0.2360563 -0.4412150 -0.8318384), wk = 0.0024155 k( 262) = ( 0.2405959 -0.4496999 -0.8478352), wk = 0.0024155 k( 263) = ( 0.2451354 -0.4581848 -0.8638321), wk = 0.0024155 k( 264) = ( 0.2496750 -0.4666697 -0.8798290), wk = 0.0024155 k( 265) = ( 0.2542145 -0.4751546 -0.8958259), wk = 0.0024155 k( 266) = ( 0.2587541 -0.4836395 -0.9118228), wk = 0.0024155 k( 267) = ( 0.2632936 -0.4921244 -0.9278197), wk = 0.0024155 k( 268) = ( 0.2678331 -0.5006093 -0.9438166), wk = 0.0024155 k( 269) = ( 0.2723727 -0.5090942 -0.9598135), wk = 0.0024155 k( 270) = ( 0.2769122 -0.5175791 -0.9758104), wk = 0.0024155 k( 271) = ( 0.2814518 -0.5260640 -0.9918073), wk = 0.0024155 k( 272) = ( 0.2859913 -0.5345489 -1.0078042), wk = 0.0024155 k( 273) = ( 0.2905309 -0.5430338 -1.0238011), wk = 0.0024155 k( 274) = ( 0.2950704 -0.5515187 -1.0397979), wk = 0.0024155 k( 275) = ( 0.2996100 -0.5600036 -1.0557949), wk = 0.0024155 k( 276) = ( 0.3041495 -0.5684885 -1.0717917), wk = 0.0024155 k( 277) = ( 0.3086890 -0.5769734 -1.0877886), wk = 0.0024155 k( 278) = ( 0.3132286 -0.5854583 -1.1037855), wk = 0.0024155 k( 279) = ( 0.3177681 -0.5939432 -1.1197824), wk = 0.0024155 k( 280) = ( 0.3223077 -0.6024281 -1.1357793), wk = 0.0024155 k( 281) = ( 0.3268472 -0.6109130 -1.1517762), wk = 0.0024155 k( 282) = ( 0.3313868 -0.6193979 -1.1677731), wk = 0.0024155 k( 283) = ( 0.3359263 -0.6278828 -1.1837700), wk = 0.0024155 k( 284) = ( 0.3404659 -0.6363677 -1.1997669), wk = 0.0024155 k( 285) = ( 0.6595341 -0.5110203 -1.1243640), wk = 0.0024155 k( 286) = ( 0.6551026 -0.4933434 -1.1243640), wk = 0.0024155 k( 287) = ( 0.6506711 -0.4756665 -1.1243640), wk = 0.0024155 k( 288) = ( 0.6462396 -0.4579896 -1.1243640), wk = 0.0024155 k( 289) = ( 0.6418081 -0.4403128 -1.1243640), wk = 0.0024155 k( 290) = ( 0.6373766 -0.4226359 -1.1243640), wk = 0.0024155 k( 291) = ( 0.6329451 -0.4049590 -1.1243640), wk = 0.0024155 k( 292) = ( 0.6285136 -0.3872821 -1.1243640), wk = 0.0024155 k( 293) = ( 0.6240821 -0.3696052 -1.1243640), wk = 0.0024155 k( 294) = ( 0.6196506 -0.3519284 -1.1243640), wk = 0.0024155 k( 295) = ( 0.6152191 -0.3342515 -1.1243640), wk = 0.0024155 k( 296) = ( 0.6107876 -0.3165746 -1.1243640), wk = 0.0024155 k( 297) = ( 0.6063561 -0.2988977 -1.1243640), wk = 0.0024155 k( 298) = ( 0.6019246 -0.2812208 -1.1243640), wk = 0.0024155 k( 299) = ( 0.5974931 -0.2635440 -1.1243640), wk = 0.0024155 k( 300) = ( 0.5930616 -0.2458670 -1.1243640), wk = 0.0024155 k( 301) = ( 0.5886301 -0.2281902 -1.1243640), wk = 0.0024155 k( 302) = ( 0.5841986 -0.2105133 -1.1243640), wk = 0.0024155 k( 303) = ( 0.5797671 -0.1928364 -1.1243640), wk = 0.0024155 k( 304) = ( 0.5753356 -0.1751595 -1.1243640), wk = 0.0024155 k( 305) = ( 0.5709041 -0.1574826 -1.1243640), wk = 0.0024155 k( 306) = ( 0.5664726 -0.1398058 -1.1243640), wk = 0.0024155 k( 307) = ( 0.5620411 -0.1221289 -1.1243640), wk = 0.0024155 k( 308) = ( 0.5576096 -0.1044520 -1.1243640), wk = 0.0024155 k( 309) = ( 0.5531780 -0.0867751 -1.1243640), wk = 0.0024155 k( 310) = ( 0.5487465 -0.0690982 -1.1243640), wk = 0.0024155 k( 311) = ( 0.5443150 -0.0514214 -1.1243640), wk = 0.0024155 k( 312) = ( 0.5398835 -0.0337445 -1.1243640), wk = 0.0024155 k( 313) = ( 0.5354520 -0.0160676 -1.1243640), wk = 0.0024155 k( 314) = ( 0.5310205 0.0016093 -1.1243640), wk = 0.0024155 k( 315) = ( 0.5265890 0.0192862 -1.1243640), wk = 0.0024155 k( 316) = ( 0.5221575 0.0369630 -1.1243640), wk = 0.0024155 k( 317) = ( 0.5177260 0.0546399 -1.1243640), wk = 0.0024155 k( 318) = ( 0.5132945 0.0723168 -1.1243640), wk = 0.0024155 k( 319) = ( 0.5088630 0.0899937 -1.1243640), wk = 0.0024155 k( 320) = ( 0.5044315 0.1076706 -1.1243640), wk = 0.0024155 k( 321) = ( 0.5000000 0.1253474 -1.1243640), wk = 0.0024155 k( 322) = ( 0.5000000 0.1253474 -1.1243640), wk = 0.0024155 k( 323) = ( 0.5159534 0.1293469 -1.1168237), wk = 0.0024155 k( 324) = ( 0.5319068 0.1333463 -1.1092834), wk = 0.0024155 k( 325) = ( 0.5478602 0.1373458 -1.1017431), wk = 0.0024155 k( 326) = ( 0.5638137 0.1413452 -1.0942028), wk = 0.0024155 k( 327) = ( 0.5797671 0.1453446 -1.0866626), wk = 0.0024155 k( 328) = ( 0.5957205 0.1493441 -1.0791223), wk = 0.0024155 k( 329) = ( 0.6116739 0.1533435 -1.0715820), wk = 0.0024155 k( 330) = ( 0.6276273 0.1573430 -1.0640417), wk = 0.0024155 k( 331) = ( 0.6435807 0.1613424 -1.0565014), wk = 0.0024155 k( 332) = ( 0.6595341 0.1653418 -1.0489611), wk = 0.0024155 k( 333) = ( 0.6595341 0.1653418 -1.0489611), wk = 0.0024155 k( 334) = ( 0.6569188 0.1646862 -1.0305289), wk = 0.0024155 k( 335) = ( 0.6543035 0.1640306 -1.0120967), wk = 0.0024155 k( 336) = ( 0.6516882 0.1633749 -0.9936645), wk = 0.0024155 k( 337) = ( 0.6490729 0.1627193 -0.9752323), wk = 0.0024155 k( 338) = ( 0.6464576 0.1620636 -0.9568001), wk = 0.0024155 k( 339) = ( 0.6438423 0.1614080 -0.9383680), wk = 0.0024155 k( 340) = ( 0.6412269 0.1607523 -0.9199358), wk = 0.0024155 k( 341) = ( 0.6386116 0.1600967 -0.9015035), wk = 0.0024155 k( 342) = ( 0.6359963 0.1594410 -0.8830714), wk = 0.0024155 k( 343) = ( 0.6333810 0.1587854 -0.8646392), wk = 0.0024155 k( 344) = ( 0.6307657 0.1581297 -0.8462070), wk = 0.0024155 k( 345) = ( 0.6281504 0.1574741 -0.8277748), wk = 0.0024155 k( 346) = ( 0.6255351 0.1568184 -0.8093426), wk = 0.0024155 k( 347) = ( 0.6229197 0.1561628 -0.7909104), wk = 0.0024155 k( 348) = ( 0.6203044 0.1555072 -0.7724782), wk = 0.0024155 k( 349) = ( 0.6176891 0.1548515 -0.7540460), wk = 0.0024155 k( 350) = ( 0.6150738 0.1541959 -0.7356138), wk = 0.0024155 k( 351) = ( 0.6124585 0.1535402 -0.7171816), wk = 0.0024155 k( 352) = ( 0.6098432 0.1528846 -0.6987494), wk = 0.0024155 k( 353) = ( 0.6072279 0.1522289 -0.6803172), wk = 0.0024155 k( 354) = ( 0.6046126 0.1515733 -0.6618850), wk = 0.0024155 k( 355) = ( 0.6019972 0.1509176 -0.6434528), wk = 0.0024155 k( 356) = ( 0.5993819 0.1502620 -0.6250206), wk = 0.0024155 k( 357) = ( 0.5967666 0.1496063 -0.6065884), wk = 0.0024155 k( 358) = ( 0.5941513 0.1489507 -0.5881562), wk = 0.0024155 k( 359) = ( 0.5915360 0.1482951 -0.5697240), wk = 0.0024155 k( 360) = ( 0.5889207 0.1476394 -0.5512918), wk = 0.0024155 k( 361) = ( 0.5863054 0.1469838 -0.5328596), wk = 0.0024155 k( 362) = ( 0.5836900 0.1463281 -0.5144274), wk = 0.0024155 k( 363) = ( 0.5810747 0.1456725 -0.4959952), wk = 0.0024155 k( 364) = ( 0.5784594 0.1450168 -0.4775630), wk = 0.0024155 k( 365) = ( 0.5758441 0.1443612 -0.4591308), wk = 0.0024155 k( 366) = ( 0.5732288 0.1437055 -0.4406986), wk = 0.0024155 k( 367) = ( 0.5706135 0.1430499 -0.4222664), wk = 0.0024155 k( 368) = ( 0.5679982 0.1423942 -0.4038343), wk = 0.0024155 k( 369) = ( 0.5653828 0.1417386 -0.3854020), wk = 0.0024155 k( 370) = ( 0.5627675 0.1410829 -0.3669698), wk = 0.0024155 k( 371) = ( 0.5601522 0.1404273 -0.3485377), wk = 0.0024155 k( 372) = ( 0.5575369 0.1397717 -0.3301055), wk = 0.0024155 k( 373) = ( 0.5549216 0.1391160 -0.3116733), wk = 0.0024155 k( 374) = ( 0.5523063 0.1384604 -0.2932411), wk = 0.0024155 k( 375) = ( 0.5496910 0.1378047 -0.2748089), wk = 0.0024155 k( 376) = ( 0.5470757 0.1371491 -0.2563767), wk = 0.0024155 k( 377) = ( 0.5444603 0.1364934 -0.2379445), wk = 0.0024155 k( 378) = ( 0.5418450 0.1358378 -0.2195123), wk = 0.0024155 k( 379) = ( 0.5392297 0.1351821 -0.2010801), wk = 0.0024155 k( 380) = ( 0.5366144 0.1345265 -0.1826479), wk = 0.0024155 k( 381) = ( 0.5339991 0.1338708 -0.1642157), wk = 0.0024155 k( 382) = ( 0.5313838 0.1332152 -0.1457835), wk = 0.0024155 k( 383) = ( 0.5287684 0.1325596 -0.1273513), wk = 0.0024155 k( 384) = ( 0.5261531 0.1319039 -0.1089191), wk = 0.0024155 k( 385) = ( 0.5235378 0.1312483 -0.0904869), wk = 0.0024155 k( 386) = ( 0.5209225 0.1305926 -0.0720547), wk = 0.0024155 k( 387) = ( 0.5183072 0.1299370 -0.0536225), wk = 0.0024155 k( 388) = ( 0.5156919 0.1292813 -0.0351903), wk = 0.0024155 k( 389) = ( 0.5130766 0.1286257 -0.0167581), wk = 0.0024155 k( 390) = ( 0.5104613 0.1279700 0.0016741), wk = 0.0024155 k( 391) = ( 0.5078459 0.1273144 0.0201063), wk = 0.0024155 k( 392) = ( 0.5052306 0.1266587 0.0385385), wk = 0.0024155 k( 393) = ( 0.5026153 0.1260031 0.0569707), wk = 0.0024155 k( 394) = ( 0.5000000 0.1253474 0.0754029), wk = 0.0024155 k( 395) = ( 0.5000000 -0.9345544 -0.5621820), wk = 0.0024155 k( 396) = ( 0.5167931 -0.9279572 -0.5582134), wk = 0.0024155 k( 397) = ( 0.5335861 -0.9213599 -0.5542449), wk = 0.0024155 k( 398) = ( 0.5503792 -0.9147627 -0.5502763), wk = 0.0024155 k( 399) = ( 0.5671723 -0.9081655 -0.5463077), wk = 0.0024155 k( 400) = ( 0.5839653 -0.9015682 -0.5423391), wk = 0.0024155 k( 401) = ( 0.6007584 -0.8949710 -0.5383706), wk = 0.0024155 k( 402) = ( 0.6175515 -0.8883737 -0.5344020), wk = 0.0024155 k( 403) = ( 0.6343445 -0.8817765 -0.5304334), wk = 0.0024155 k( 404) = ( 0.6511376 -0.8751793 -0.5264649), wk = 0.0024155 k( 405) = ( 0.6679307 -0.8685821 -0.5224963), wk = 0.0024155 k( 406) = ( 0.6847237 -0.8619848 -0.5185277), wk = 0.0024155 k( 407) = ( 0.7015168 -0.8553876 -0.5145591), wk = 0.0024155 k( 408) = ( 0.7183099 -0.8487904 -0.5105906), wk = 0.0024155 k( 409) = ( 0.7351030 -0.8421931 -0.5066220), wk = 0.0024155 k( 410) = ( 0.7518960 -0.8355959 -0.5026534), wk = 0.0024155 k( 411) = ( 0.7686891 -0.8289986 -0.4986848), wk = 0.0024155 k( 412) = ( 0.7854821 -0.8224014 -0.4947163), wk = 0.0024155 k( 413) = ( 0.8022752 -0.8158042 -0.4907477), wk = 0.0024155 k( 414) = ( 0.8190683 -0.8092069 -0.4867791), wk = 0.0024155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 2) = ( 0.0076923 -0.0000000 -0.0000000), wk = 0.0024155 k( 3) = ( 0.0153846 -0.0000000 -0.0000000), wk = 0.0024155 k( 4) = ( 0.0230769 0.0000000 0.0000000), wk = 0.0024155 k( 5) = ( 0.0307692 0.0000000 -0.0000000), wk = 0.0024155 k( 6) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0024155 k( 7) = ( 0.0461539 0.0000000 0.0000000), wk = 0.0024155 k( 8) = ( 0.0538462 0.0000000 -0.0000000), wk = 0.0024155 k( 9) = ( 0.0615385 0.0000000 -0.0000000), wk = 0.0024155 k( 10) = ( 0.0692308 -0.0000000 -0.0000000), wk = 0.0024155 k( 11) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0024155 k( 12) = ( 0.0846154 -0.0000000 -0.0000000), wk = 0.0024155 k( 13) = ( 0.0923077 0.0000000 -0.0000000), wk = 0.0024155 k( 14) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0024155 k( 15) = ( 0.1076923 -0.0000000 -0.0000000), wk = 0.0024155 k( 16) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0024155 k( 17) = ( 0.1230769 0.0000000 -0.0000000), wk = 0.0024155 k( 18) = ( 0.1307692 0.0000000 0.0000000), wk = 0.0024155 k( 19) = ( 0.1384615 -0.0000000 -0.0000000), wk = 0.0024155 k( 20) = ( 0.1461539 0.0000000 0.0000000), wk = 0.0024155 k( 21) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0024155 k( 22) = ( 0.1615385 0.0000000 0.0000000), wk = 0.0024155 k( 23) = ( 0.1692308 0.0000000 0.0000000), wk = 0.0024155 k( 24) = ( 0.1769231 -0.0000000 -0.0000000), wk = 0.0024155 k( 25) = ( 0.1846154 0.0000000 -0.0000000), wk = 0.0024155 k( 26) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0024155 k( 27) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0024155 k( 28) = ( 0.2076923 0.0000000 0.0000000), wk = 0.0024155 k( 29) = ( 0.2153846 -0.0000000 -0.0000000), wk = 0.0024155 k( 30) = ( 0.2230769 0.0000000 0.0000000), wk = 0.0024155 k( 31) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0024155 k( 32) = ( 0.2384615 0.0000000 -0.0000000), wk = 0.0024155 k( 33) = ( 0.2461539 0.0000000 -0.0000000), wk = 0.0024155 k( 34) = ( 0.2538461 0.0000000 -0.0000000), wk = 0.0024155 k( 35) = ( 0.2615385 0.0000000 0.0000000), wk = 0.0024155 k( 36) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0024155 k( 37) = ( 0.2769231 -0.0000000 -0.0000000), wk = 0.0024155 k( 38) = ( 0.2846154 -0.0000000 -0.0000000), wk = 0.0024155 k( 39) = ( 0.2923077 -0.0000000 -0.0000000), wk = 0.0024155 k( 40) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0024155 k( 41) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0024155 k( 42) = ( 0.3153846 0.0000000 -0.0000000), wk = 0.0024155 k( 43) = ( 0.3230769 0.0000000 0.0000000), wk = 0.0024155 k( 44) = ( 0.3307692 0.0000000 -0.0000000), wk = 0.0024155 k( 45) = ( 0.3384615 0.0000000 0.0000000), wk = 0.0024155 k( 46) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0024155 k( 47) = ( 0.3538462 -0.0000000 -0.0000000), wk = 0.0024155 k( 48) = ( 0.3615385 -0.0000000 0.0000000), wk = 0.0024155 k( 49) = ( 0.3692308 -0.0000000 -0.0000000), wk = 0.0024155 k( 50) = ( 0.3769231 0.0000000 0.0000000), wk = 0.0024155 k( 51) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0024155 k( 52) = ( 0.3923077 0.0000000 0.0000000), wk = 0.0024155 k( 53) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0024155 k( 54) = ( 0.4076923 0.0000000 0.0000000), wk = 0.0024155 k( 55) = ( 0.4153846 0.0000000 0.0000000), wk = 0.0024155 k( 56) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0024155 k( 57) = ( 0.4307692 -0.0000000 -0.0000000), wk = 0.0024155 k( 58) = ( 0.4384615 -0.0000000 -0.0000000), wk = 0.0024155 k( 59) = ( 0.4461539 0.0000000 0.0000000), wk = 0.0024155 k( 60) = ( 0.4538462 0.0000000 0.0000000), wk = 0.0024155 k( 61) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0024155 k( 62) = ( 0.4692308 0.0000000 0.0000000), wk = 0.0024155 k( 63) = ( 0.4769231 0.0000000 -0.0000000), wk = 0.0024155 k( 64) = ( 0.4846154 0.0000000 0.0000000), wk = 0.0024155 k( 65) = ( 0.4923077 0.0000000 -0.0000000), wk = 0.0024155 k( 66) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024155 k( 67) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024155 k( 68) = ( 0.5000000 0.0045233 -0.0045233), wk = 0.0024155 k( 69) = ( 0.5000000 0.0090466 -0.0090466), wk = 0.0024155 k( 70) = ( 0.5000000 0.0135699 -0.0135699), wk = 0.0024155 k( 71) = ( 0.5000000 0.0180932 -0.0180932), wk = 0.0024155 k( 72) = ( 0.5000000 0.0226165 -0.0226165), wk = 0.0024155 k( 73) = ( 0.5000000 0.0271398 -0.0271398), wk = 0.0024155 k( 74) = ( 0.5000000 0.0316631 -0.0316630), wk = 0.0024155 k( 75) = ( 0.5000000 0.0361863 -0.0361863), wk = 0.0024155 k( 76) = ( 0.5000000 0.0407096 -0.0407096), wk = 0.0024155 k( 77) = ( 0.5000000 0.0452329 -0.0452329), wk = 0.0024155 k( 78) = ( 0.5000000 0.0497562 -0.0497562), wk = 0.0024155 k( 79) = ( 0.5000000 0.0542795 -0.0542795), wk = 0.0024155 k( 80) = ( 0.5000000 0.0588028 -0.0588028), wk = 0.0024155 k( 81) = ( 0.5000000 0.0633261 -0.0633261), wk = 0.0024155 k( 82) = ( 0.5000000 0.0678494 -0.0678494), wk = 0.0024155 k( 83) = ( 0.5000000 0.0723727 -0.0723727), wk = 0.0024155 k( 84) = ( 0.5000000 0.0768960 -0.0768960), wk = 0.0024155 k( 85) = ( 0.5000000 0.0814193 -0.0814193), wk = 0.0024155 k( 86) = ( 0.5000000 0.0859426 -0.0859426), wk = 0.0024155 k( 87) = ( 0.5000000 0.0904659 -0.0904659), wk = 0.0024155 k( 88) = ( 0.5000000 0.0949892 -0.0949891), wk = 0.0024155 k( 89) = ( 0.5000000 0.0995124 -0.0995124), wk = 0.0024155 k( 90) = ( 0.5000000 0.1040357 -0.1040357), wk = 0.0024155 k( 91) = ( 0.5000000 0.1085590 -0.1085590), wk = 0.0024155 k( 92) = ( 0.5000000 0.1130823 -0.1130823), wk = 0.0024155 k( 93) = ( 0.5000000 0.1176056 -0.1176056), wk = 0.0024155 k( 94) = ( 0.5000000 0.1221289 -0.1221289), wk = 0.0024155 k( 95) = ( 0.5000000 0.1266522 -0.1266522), wk = 0.0024155 k( 96) = ( 0.5000000 0.1311755 -0.1311755), wk = 0.0024155 k( 97) = ( 0.5000000 0.1356988 -0.1356988), wk = 0.0024155 k( 98) = ( 0.5000000 0.1402221 -0.1402221), wk = 0.0024155 k( 99) = ( 0.5000000 0.1447454 -0.1447454), wk = 0.0024155 k( 100) = ( 0.5000000 0.1492687 -0.1492687), wk = 0.0024155 k( 101) = ( 0.5000000 0.1537920 -0.1537920), wk = 0.0024155 k( 102) = ( 0.5000000 0.1583153 -0.1583152), wk = 0.0024155 k( 103) = ( 0.5000000 0.1628385 -0.1628385), wk = 0.0024155 k( 104) = ( 0.5000000 0.1673618 -0.1673618), wk = 0.0024155 k( 105) = ( 0.5000000 0.1718851 -0.1718851), wk = 0.0024155 k( 106) = ( 0.5000000 0.1764084 -0.1764084), wk = 0.0024155 k( 107) = ( 0.5000000 0.1809317 -0.1809317), wk = 0.0024155 k( 108) = ( 0.8190683 0.5000000 0.1809317), wk = 0.0024155 k( 109) = ( 0.8145744 0.5000000 0.1854256), wk = 0.0024155 k( 110) = ( 0.8100804 0.5000000 0.1899196), wk = 0.0024155 k( 111) = ( 0.8055865 0.5000000 0.1944135), wk = 0.0024155 k( 112) = ( 0.8010926 0.5000000 0.1989074), wk = 0.0024155 k( 113) = ( 0.7965987 0.5000000 0.2034013), wk = 0.0024155 k( 114) = ( 0.7921048 0.5000000 0.2078952), wk = 0.0024155 k( 115) = ( 0.7876108 0.5000000 0.2123891), wk = 0.0024155 k( 116) = ( 0.7831169 0.5000000 0.2168831), wk = 0.0024155 k( 117) = ( 0.7786230 0.5000000 0.2213770), wk = 0.0024155 k( 118) = ( 0.7741291 0.5000000 0.2258709), wk = 0.0024155 k( 119) = ( 0.7696352 0.5000000 0.2303648), wk = 0.0024155 k( 120) = ( 0.7651412 0.5000000 0.2348587), wk = 0.0024155 k( 121) = ( 0.7606473 0.5000000 0.2393527), wk = 0.0024155 k( 122) = ( 0.7561534 0.5000000 0.2438466), wk = 0.0024155 k( 123) = ( 0.7516595 0.5000000 0.2483405), wk = 0.0024155 k( 124) = ( 0.7471656 0.5000000 0.2528344), wk = 0.0024155 k( 125) = ( 0.7426717 0.5000000 0.2573283), wk = 0.0024155 k( 126) = ( 0.7381777 0.5000000 0.2618223), wk = 0.0024155 k( 127) = ( 0.7336838 0.5000000 0.2663162), wk = 0.0024155 k( 128) = ( 0.7291899 0.5000000 0.2708101), wk = 0.0024155 k( 129) = ( 0.7246960 0.5000000 0.2753040), wk = 0.0024155 k( 130) = ( 0.7202021 0.5000000 0.2797980), wk = 0.0024155 k( 131) = ( 0.7157081 0.5000000 0.2842919), wk = 0.0024155 k( 132) = ( 0.7112142 0.5000000 0.2887858), wk = 0.0024155 k( 133) = ( 0.7067203 0.5000000 0.2932797), wk = 0.0024155 k( 134) = ( 0.7022264 0.5000000 0.2977736), wk = 0.0024155 k( 135) = ( 0.6977325 0.5000000 0.3022675), wk = 0.0024155 k( 136) = ( 0.6932385 0.5000000 0.3067615), wk = 0.0024155 k( 137) = ( 0.6887446 0.5000000 0.3112554), wk = 0.0024155 k( 138) = ( 0.6842507 0.5000000 0.3157493), wk = 0.0024155 k( 139) = ( 0.6797568 0.5000000 0.3202432), wk = 0.0024155 k( 140) = ( 0.6752629 0.5000000 0.3247371), wk = 0.0024155 k( 141) = ( 0.6707689 0.5000000 0.3292311), wk = 0.0024155 k( 142) = ( 0.6662750 0.5000000 0.3337250), wk = 0.0024155 k( 143) = ( 0.6617811 0.5000000 0.3382189), wk = 0.0024155 k( 144) = ( 0.6572872 0.5000000 0.3427128), wk = 0.0024155 k( 145) = ( 0.6527933 0.5000000 0.3472067), wk = 0.0024155 k( 146) = ( 0.6482993 0.5000000 0.3517007), wk = 0.0024155 k( 147) = ( 0.6438054 0.5000000 0.3561946), wk = 0.0024155 k( 148) = ( 0.6393115 0.5000000 0.3606885), wk = 0.0024155 k( 149) = ( 0.6348176 0.5000000 0.3651824), wk = 0.0024155 k( 150) = ( 0.6303237 0.5000000 0.3696763), wk = 0.0024155 k( 151) = ( 0.6258297 0.5000000 0.3741702), wk = 0.0024155 k( 152) = ( 0.6213358 0.5000000 0.3786642), wk = 0.0024155 k( 153) = ( 0.6168419 0.5000000 0.3831581), wk = 0.0024155 k( 154) = ( 0.6123480 0.5000000 0.3876520), wk = 0.0024155 k( 155) = ( 0.6078541 0.5000000 0.3921459), wk = 0.0024155 k( 156) = ( 0.6033601 0.5000000 0.3966399), wk = 0.0024155 k( 157) = ( 0.5988662 0.5000000 0.4011338), wk = 0.0024155 k( 158) = ( 0.5943723 0.5000000 0.4056277), wk = 0.0024155 k( 159) = ( 0.5898784 0.5000000 0.4101216), wk = 0.0024155 k( 160) = ( 0.5853845 0.5000000 0.4146155), wk = 0.0024155 k( 161) = ( 0.5808906 0.5000000 0.4191094), wk = 0.0024155 k( 162) = ( 0.5763966 0.5000000 0.4236034), wk = 0.0024155 k( 163) = ( 0.5719027 0.5000000 0.4280973), wk = 0.0024155 k( 164) = ( 0.5674088 0.5000000 0.4325912), wk = 0.0024155 k( 165) = ( 0.5629149 0.5000000 0.4370851), wk = 0.0024155 k( 166) = ( 0.5584210 0.5000000 0.4415790), wk = 0.0024155 k( 167) = ( 0.5539270 0.5000000 0.4460730), wk = 0.0024155 k( 168) = ( 0.5494331 0.5000000 0.4505669), wk = 0.0024155 k( 169) = ( 0.5449392 0.5000000 0.4550608), wk = 0.0024155 k( 170) = ( 0.5404453 0.5000000 0.4595547), wk = 0.0024155 k( 171) = ( 0.5359514 0.5000000 0.4640486), wk = 0.0024155 k( 172) = ( 0.5314574 0.5000000 0.4685426), wk = 0.0024155 k( 173) = ( 0.5269635 0.5000000 0.4730365), wk = 0.0024155 k( 174) = ( 0.5224696 0.5000000 0.4775304), wk = 0.0024155 k( 175) = ( 0.5179757 0.5000000 0.4820243), wk = 0.0024155 k( 176) = ( 0.5134818 0.5000000 0.4865182), wk = 0.0024155 k( 177) = ( 0.5089878 0.5000000 0.4910122), wk = 0.0024155 k( 178) = ( 0.5044939 0.5000000 0.4955061), wk = 0.0024155 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 181) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0024155 k( 182) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0024155 k( 183) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0024155 k( 184) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0024155 k( 185) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0024155 k( 186) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0024155 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0024155 k( 188) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0024155 k( 189) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0024155 k( 190) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0024155 k( 191) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0024155 k( 192) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0024155 k( 193) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0024155 k( 194) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024155 k( 195) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0024155 k( 196) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0024155 k( 197) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0024155 k( 198) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0024155 k( 199) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0024155 k( 200) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0024155 k( 201) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0024155 k( 202) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0024155 k( 203) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0024155 k( 204) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0024155 k( 205) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0024155 k( 206) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0024155 k( 207) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0024155 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024155 k( 210) = ( 0.0045395 0.0000000 -0.0045395), wk = 0.0024155 k( 211) = ( 0.0090791 -0.0000000 -0.0090791), wk = 0.0024155 k( 212) = ( 0.0136186 0.0000000 -0.0136186), wk = 0.0024155 k( 213) = ( 0.0181582 -0.0000000 -0.0181582), wk = 0.0024155 k( 214) = ( 0.0226977 0.0000000 -0.0226977), wk = 0.0024155 k( 215) = ( 0.0272373 0.0000000 -0.0272373), wk = 0.0024155 k( 216) = ( 0.0317768 0.0000000 -0.0317768), wk = 0.0024155 k( 217) = ( 0.0363164 -0.0000000 -0.0363164), wk = 0.0024155 k( 218) = ( 0.0408559 0.0000000 -0.0408559), wk = 0.0024155 k( 219) = ( 0.0453954 0.0000000 -0.0453954), wk = 0.0024155 k( 220) = ( 0.0499350 0.0000000 -0.0499350), wk = 0.0024155 k( 221) = ( 0.0544745 0.0000000 -0.0544745), wk = 0.0024155 k( 222) = ( 0.0590141 0.0000000 -0.0590141), wk = 0.0024155 k( 223) = ( 0.0635536 0.0000000 -0.0635536), wk = 0.0024155 k( 224) = ( 0.0680932 -0.0000000 -0.0680932), wk = 0.0024155 k( 225) = ( 0.0726327 -0.0000000 -0.0726327), wk = 0.0024155 k( 226) = ( 0.0771723 0.0000000 -0.0771723), wk = 0.0024155 k( 227) = ( 0.0817118 0.0000000 -0.0817118), wk = 0.0024155 k( 228) = ( 0.0862514 0.0000000 -0.0862513), wk = 0.0024155 k( 229) = ( 0.0907909 0.0000000 -0.0907909), wk = 0.0024155 k( 230) = ( 0.0953304 0.0000000 -0.0953304), wk = 0.0024155 k( 231) = ( 0.0998700 -0.0000000 -0.0998700), wk = 0.0024155 k( 232) = ( 0.1044095 0.0000000 -0.1044095), wk = 0.0024155 k( 233) = ( 0.1089491 0.0000000 -0.1089491), wk = 0.0024155 k( 234) = ( 0.1134886 0.0000000 -0.1134886), wk = 0.0024155 k( 235) = ( 0.1180282 0.0000000 -0.1180282), wk = 0.0024155 k( 236) = ( 0.1225677 0.0000000 -0.1225677), wk = 0.0024155 k( 237) = ( 0.1271073 0.0000000 -0.1271072), wk = 0.0024155 k( 238) = ( 0.1316468 0.0000000 -0.1316468), wk = 0.0024155 k( 239) = ( 0.1361863 -0.0000000 -0.1361863), wk = 0.0024155 k( 240) = ( 0.1407259 -0.0000000 -0.1407259), wk = 0.0024155 k( 241) = ( 0.1452654 0.0000000 -0.1452654), wk = 0.0024155 k( 242) = ( 0.1498050 -0.0000000 -0.1498050), wk = 0.0024155 k( 243) = ( 0.1543445 0.0000000 -0.1543445), wk = 0.0024155 k( 244) = ( 0.1588841 -0.0000000 -0.1588841), wk = 0.0024155 k( 245) = ( 0.1634236 -0.0000000 -0.1634236), wk = 0.0024155 k( 246) = ( 0.1679632 0.0000000 -0.1679632), wk = 0.0024155 k( 247) = ( 0.1725027 0.0000000 -0.1725027), wk = 0.0024155 k( 248) = ( 0.1770423 -0.0000000 -0.1770422), wk = 0.0024155 k( 249) = ( 0.1815818 0.0000000 -0.1815818), wk = 0.0024155 k( 250) = ( 0.1861213 -0.0000000 -0.1861213), wk = 0.0024155 k( 251) = ( 0.1906609 0.0000000 -0.1906609), wk = 0.0024155 k( 252) = ( 0.1952004 0.0000000 -0.1952004), wk = 0.0024155 k( 253) = ( 0.1997400 0.0000000 -0.1997400), wk = 0.0024155 k( 254) = ( 0.2042795 0.0000000 -0.2042795), wk = 0.0024155 k( 255) = ( 0.2088191 0.0000000 -0.2088191), wk = 0.0024155 k( 256) = ( 0.2133586 0.0000000 -0.2133586), wk = 0.0024155 k( 257) = ( 0.2178982 0.0000000 -0.2178981), wk = 0.0024155 k( 258) = ( 0.2224377 0.0000000 -0.2224377), wk = 0.0024155 k( 259) = ( 0.2269772 0.0000000 -0.2269772), wk = 0.0024155 k( 260) = ( 0.2315168 0.0000000 -0.2315168), wk = 0.0024155 k( 261) = ( 0.2360563 0.0000000 -0.2360563), wk = 0.0024155 k( 262) = ( 0.2405959 0.0000000 -0.2405959), wk = 0.0024155 k( 263) = ( 0.2451354 0.0000000 -0.2451354), wk = 0.0024155 k( 264) = ( 0.2496750 0.0000000 -0.2496750), wk = 0.0024155 k( 265) = ( 0.2542145 0.0000000 -0.2542145), wk = 0.0024155 k( 266) = ( 0.2587541 0.0000000 -0.2587541), wk = 0.0024155 k( 267) = ( 0.2632936 0.0000000 -0.2632936), wk = 0.0024155 k( 268) = ( 0.2678331 0.0000000 -0.2678331), wk = 0.0024155 k( 269) = ( 0.2723727 0.0000000 -0.2723727), wk = 0.0024155 k( 270) = ( 0.2769122 -0.0000000 -0.2769122), wk = 0.0024155 k( 271) = ( 0.2814518 -0.0000000 -0.2814518), wk = 0.0024155 k( 272) = ( 0.2859913 0.0000000 -0.2859913), wk = 0.0024155 k( 273) = ( 0.2905309 -0.0000000 -0.2905309), wk = 0.0024155 k( 274) = ( 0.2950704 -0.0000000 -0.2950704), wk = 0.0024155 k( 275) = ( 0.2996100 -0.0000000 -0.2996100), wk = 0.0024155 k( 276) = ( 0.3041495 -0.0000000 -0.3041495), wk = 0.0024155 k( 277) = ( 0.3086890 0.0000000 -0.3086890), wk = 0.0024155 k( 278) = ( 0.3132286 -0.0000000 -0.3132286), wk = 0.0024155 k( 279) = ( 0.3177681 0.0000000 -0.3177681), wk = 0.0024155 k( 280) = ( 0.3223077 0.0000000 -0.3223077), wk = 0.0024155 k( 281) = ( 0.3268472 -0.0000000 -0.3268472), wk = 0.0024155 k( 282) = ( 0.3313868 -0.0000000 -0.3313868), wk = 0.0024155 k( 283) = ( 0.3359263 0.0000000 -0.3359263), wk = 0.0024155 k( 284) = ( 0.3404659 0.0000000 -0.3404659), wk = 0.0024155 k( 285) = ( 0.6595341 0.3404659 0.0000000), wk = 0.0024155 k( 286) = ( 0.6551026 0.3448974 0.0000000), wk = 0.0024155 k( 287) = ( 0.6506711 0.3493289 0.0000000), wk = 0.0024155 k( 288) = ( 0.6462396 0.3537604 0.0000000), wk = 0.0024155 k( 289) = ( 0.6418081 0.3581919 0.0000000), wk = 0.0024155 k( 290) = ( 0.6373766 0.3626234 0.0000000), wk = 0.0024155 k( 291) = ( 0.6329451 0.3670549 0.0000000), wk = 0.0024155 k( 292) = ( 0.6285136 0.3714864 0.0000000), wk = 0.0024155 k( 293) = ( 0.6240821 0.3759179 0.0000000), wk = 0.0024155 k( 294) = ( 0.6196506 0.3803494 -0.0000000), wk = 0.0024155 k( 295) = ( 0.6152191 0.3847809 0.0000000), wk = 0.0024155 k( 296) = ( 0.6107876 0.3892124 -0.0000000), wk = 0.0024155 k( 297) = ( 0.6063561 0.3936439 0.0000000), wk = 0.0024155 k( 298) = ( 0.6019246 0.3980754 -0.0000000), wk = 0.0024155 k( 299) = ( 0.5974931 0.4025069 0.0000000), wk = 0.0024155 k( 300) = ( 0.5930616 0.4069384 -0.0000000), wk = 0.0024155 k( 301) = ( 0.5886301 0.4113699 0.0000000), wk = 0.0024155 k( 302) = ( 0.5841986 0.4158014 -0.0000000), wk = 0.0024155 k( 303) = ( 0.5797671 0.4202329 0.0000000), wk = 0.0024155 k( 304) = ( 0.5753356 0.4246644 -0.0000000), wk = 0.0024155 k( 305) = ( 0.5709041 0.4290959 0.0000000), wk = 0.0024155 k( 306) = ( 0.5664726 0.4335274 -0.0000000), wk = 0.0024155 k( 307) = ( 0.5620411 0.4379589 0.0000000), wk = 0.0024155 k( 308) = ( 0.5576096 0.4423904 -0.0000000), wk = 0.0024155 k( 309) = ( 0.5531780 0.4468220 -0.0000000), wk = 0.0024155 k( 310) = ( 0.5487465 0.4512535 0.0000000), wk = 0.0024155 k( 311) = ( 0.5443150 0.4556850 0.0000000), wk = 0.0024155 k( 312) = ( 0.5398835 0.4601165 0.0000000), wk = 0.0024155 k( 313) = ( 0.5354520 0.4645480 0.0000000), wk = 0.0024155 k( 314) = ( 0.5310205 0.4689795 0.0000000), wk = 0.0024155 k( 315) = ( 0.5265890 0.4734110 0.0000000), wk = 0.0024155 k( 316) = ( 0.5221575 0.4778425 0.0000000), wk = 0.0024155 k( 317) = ( 0.5177260 0.4822740 -0.0000000), wk = 0.0024155 k( 318) = ( 0.5132945 0.4867055 0.0000000), wk = 0.0024155 k( 319) = ( 0.5088630 0.4911370 -0.0000000), wk = 0.0024155 k( 320) = ( 0.5044315 0.4955685 0.0000000), wk = 0.0024155 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 322) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0024155 k( 323) = ( 0.5159534 0.5159534 0.0180932), wk = 0.0024155 k( 324) = ( 0.5319068 0.5319068 0.0361863), wk = 0.0024155 k( 325) = ( 0.5478602 0.5478602 0.0542795), wk = 0.0024155 k( 326) = ( 0.5638137 0.5638137 0.0723727), wk = 0.0024155 k( 327) = ( 0.5797671 0.5797671 0.0904659), wk = 0.0024155 k( 328) = ( 0.5957205 0.5957205 0.1085590), wk = 0.0024155 k( 329) = ( 0.6116739 0.6116739 0.1266522), wk = 0.0024155 k( 330) = ( 0.6276273 0.6276273 0.1447454), wk = 0.0024155 k( 331) = ( 0.6435807 0.6435807 0.1628385), wk = 0.0024155 k( 332) = ( 0.6595341 0.6595341 0.1809317), wk = 0.0024155 k( 333) = ( 0.6595341 0.6595341 0.1809317), wk = 0.0024155 k( 334) = ( 0.6569188 0.6569188 0.1861623), wk = 0.0024155 k( 335) = ( 0.6543035 0.6543035 0.1913930), wk = 0.0024155 k( 336) = ( 0.6516882 0.6516882 0.1966236), wk = 0.0024155 k( 337) = ( 0.6490729 0.6490729 0.2018542), wk = 0.0024155 k( 338) = ( 0.6464576 0.6464576 0.2070849), wk = 0.0024155 k( 339) = ( 0.6438423 0.6438423 0.2123155), wk = 0.0024155 k( 340) = ( 0.6412269 0.6412269 0.2175461), wk = 0.0024155 k( 341) = ( 0.6386116 0.6386116 0.2227767), wk = 0.0024155 k( 342) = ( 0.6359963 0.6359963 0.2280074), wk = 0.0024155 k( 343) = ( 0.6333810 0.6333810 0.2332380), wk = 0.0024155 k( 344) = ( 0.6307657 0.6307657 0.2384686), wk = 0.0024155 k( 345) = ( 0.6281504 0.6281504 0.2436993), wk = 0.0024155 k( 346) = ( 0.6255351 0.6255351 0.2489299), wk = 0.0024155 k( 347) = ( 0.6229197 0.6229197 0.2541605), wk = 0.0024155 k( 348) = ( 0.6203044 0.6203044 0.2593911), wk = 0.0024155 k( 349) = ( 0.6176891 0.6176891 0.2646218), wk = 0.0024155 k( 350) = ( 0.6150738 0.6150738 0.2698524), wk = 0.0024155 k( 351) = ( 0.6124585 0.6124585 0.2750830), wk = 0.0024155 k( 352) = ( 0.6098432 0.6098432 0.2803136), wk = 0.0024155 k( 353) = ( 0.6072279 0.6072279 0.2855443), wk = 0.0024155 k( 354) = ( 0.6046126 0.6046126 0.2907749), wk = 0.0024155 k( 355) = ( 0.6019972 0.6019972 0.2960055), wk = 0.0024155 k( 356) = ( 0.5993819 0.5993819 0.3012361), wk = 0.0024155 k( 357) = ( 0.5967666 0.5967666 0.3064668), wk = 0.0024155 k( 358) = ( 0.5941513 0.5941513 0.3116974), wk = 0.0024155 k( 359) = ( 0.5915360 0.5915360 0.3169280), wk = 0.0024155 k( 360) = ( 0.5889207 0.5889207 0.3221587), wk = 0.0024155 k( 361) = ( 0.5863054 0.5863054 0.3273893), wk = 0.0024155 k( 362) = ( 0.5836900 0.5836900 0.3326199), wk = 0.0024155 k( 363) = ( 0.5810747 0.5810747 0.3378505), wk = 0.0024155 k( 364) = ( 0.5784594 0.5784594 0.3430812), wk = 0.0024155 k( 365) = ( 0.5758441 0.5758441 0.3483118), wk = 0.0024155 k( 366) = ( 0.5732288 0.5732288 0.3535424), wk = 0.0024155 k( 367) = ( 0.5706135 0.5706135 0.3587730), wk = 0.0024155 k( 368) = ( 0.5679982 0.5679982 0.3640037), wk = 0.0024155 k( 369) = ( 0.5653828 0.5653828 0.3692343), wk = 0.0024155 k( 370) = ( 0.5627675 0.5627675 0.3744649), wk = 0.0024155 k( 371) = ( 0.5601522 0.5601522 0.3796956), wk = 0.0024155 k( 372) = ( 0.5575369 0.5575369 0.3849262), wk = 0.0024155 k( 373) = ( 0.5549216 0.5549216 0.3901568), wk = 0.0024155 k( 374) = ( 0.5523063 0.5523063 0.3953874), wk = 0.0024155 k( 375) = ( 0.5496910 0.5496910 0.4006181), wk = 0.0024155 k( 376) = ( 0.5470757 0.5470757 0.4058487), wk = 0.0024155 k( 377) = ( 0.5444603 0.5444603 0.4110793), wk = 0.0024155 k( 378) = ( 0.5418450 0.5418450 0.4163100), wk = 0.0024155 k( 379) = ( 0.5392297 0.5392297 0.4215406), wk = 0.0024155 k( 380) = ( 0.5366144 0.5366144 0.4267712), wk = 0.0024155 k( 381) = ( 0.5339991 0.5339991 0.4320018), wk = 0.0024155 k( 382) = ( 0.5313838 0.5313838 0.4372325), wk = 0.0024155 k( 383) = ( 0.5287684 0.5287684 0.4424631), wk = 0.0024155 k( 384) = ( 0.5261531 0.5261531 0.4476937), wk = 0.0024155 k( 385) = ( 0.5235378 0.5235378 0.4529243), wk = 0.0024155 k( 386) = ( 0.5209225 0.5209225 0.4581550), wk = 0.0024155 k( 387) = ( 0.5183072 0.5183072 0.4633856), wk = 0.0024155 k( 388) = ( 0.5156919 0.5156919 0.4686162), wk = 0.0024155 k( 389) = ( 0.5130766 0.5130766 0.4738469), wk = 0.0024155 k( 390) = ( 0.5104613 0.5104613 0.4790775), wk = 0.0024155 k( 391) = ( 0.5078459 0.5078459 0.4843081), wk = 0.0024155 k( 392) = ( 0.5052306 0.5052306 0.4895387), wk = 0.0024155 k( 393) = ( 0.5026153 0.5026153 0.4947694), wk = 0.0024155 k( 394) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024155 k( 395) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024155 k( 396) = ( 0.5167931 0.0179193 0.0179193), wk = 0.0024155 k( 397) = ( 0.5335861 0.0358385 0.0358385), wk = 0.0024155 k( 398) = ( 0.5503792 0.0537578 0.0537578), wk = 0.0024155 k( 399) = ( 0.5671723 0.0716770 0.0716770), wk = 0.0024155 k( 400) = ( 0.5839653 0.0895963 0.0895963), wk = 0.0024155 k( 401) = ( 0.6007584 0.1075155 0.1075155), wk = 0.0024155 k( 402) = ( 0.6175515 0.1254348 0.1254348), wk = 0.0024155 k( 403) = ( 0.6343445 0.1433541 0.1433541), wk = 0.0024155 k( 404) = ( 0.6511376 0.1612733 0.1612733), wk = 0.0024155 k( 405) = ( 0.6679307 0.1791926 0.1791926), wk = 0.0024155 k( 406) = ( 0.6847237 0.1971118 0.1971118), wk = 0.0024155 k( 407) = ( 0.7015168 0.2150311 0.2150311), wk = 0.0024155 k( 408) = ( 0.7183099 0.2329503 0.2329503), wk = 0.0024155 k( 409) = ( 0.7351030 0.2508696 0.2508696), wk = 0.0024155 k( 410) = ( 0.7518960 0.2687888 0.2687888), wk = 0.0024155 k( 411) = ( 0.7686891 0.2867081 0.2867081), wk = 0.0024155 k( 412) = ( 0.7854821 0.3046274 0.3046274), wk = 0.0024155 k( 413) = ( 0.8022752 0.3225466 0.3225466), wk = 0.0024155 k( 414) = ( 0.8190683 0.3404659 0.3404659), wk = 0.0024155 Dense grid: 26671 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 11795 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 92, 34) NL pseudopotentials 0.07 Mb ( 46, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 742) G-vector shells 0.00 Mb ( 610) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 92, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.10 Mb ( 96, 2, 34) The potential is recalculated from file : ./AlCuO2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.7 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.4 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.1 secs Computing kpt #: 29 total cpu time spent up to now is 12.4 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.3 secs Computing kpt #: 32 total cpu time spent up to now is 13.7 secs Computing kpt #: 33 total cpu time spent up to now is 14.0 secs Computing kpt #: 34 total cpu time spent up to now is 14.3 secs Computing kpt #: 35 total cpu time spent up to now is 14.5 secs Computing kpt #: 36 total cpu time spent up to now is 14.8 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.6 secs Computing kpt #: 40 total cpu time spent up to now is 15.9 secs Computing kpt #: 41 total cpu time spent up to now is 16.1 secs Computing kpt #: 42 total cpu time spent up to now is 16.4 secs Computing kpt #: 43 total cpu time spent up to now is 16.6 secs Computing kpt #: 44 total cpu time spent up to now is 16.9 secs Computing kpt #: 45 total cpu time spent up to now is 17.2 secs Computing kpt #: 46 total cpu time spent up to now is 17.4 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 17.9 secs Computing kpt #: 49 total cpu time spent up to now is 18.2 secs Computing kpt #: 50 total cpu time spent up to now is 18.5 secs Computing kpt #: 51 total cpu time spent up to now is 18.7 secs Computing kpt #: 52 total cpu time spent up to now is 19.0 secs Computing kpt #: 53 total cpu time spent up to now is 19.2 secs Computing kpt #: 54 total cpu time spent up to now is 19.5 secs Computing kpt #: 55 total cpu time spent up to now is 19.7 secs Computing kpt #: 56 total cpu time spent up to now is 20.0 secs Computing kpt #: 57 total cpu time spent up to now is 20.3 secs Computing kpt #: 58 total cpu time spent up to now is 20.5 secs Computing kpt #: 59 total cpu time spent up to now is 20.8 secs Computing kpt #: 60 total cpu time spent up to now is 21.0 secs Computing kpt #: 61 total cpu time spent up to now is 21.3 secs Computing kpt #: 62 total cpu time spent up to now is 21.5 secs Computing kpt #: 63 total cpu time spent up to now is 21.8 secs Computing kpt #: 64 total cpu time spent up to now is 22.0 secs Computing kpt #: 65 total cpu time spent up to now is 22.3 secs Computing kpt #: 66 total cpu time spent up to now is 22.5 secs Computing kpt #: 67 total cpu time spent up to now is 22.8 secs Computing kpt #: 68 total cpu time spent up to now is 23.0 secs Computing kpt #: 69 total cpu time spent up to now is 23.4 secs Computing kpt #: 70 total cpu time spent up to now is 23.6 secs Computing kpt #: 71 total cpu time spent up to now is 23.9 secs Computing kpt #: 72 total cpu time spent up to now is 24.1 secs Computing kpt #: 73 total cpu time spent up to now is 24.4 secs Computing kpt #: 74 total cpu time spent up to now is 24.7 secs Computing kpt #: 75 total cpu time spent up to now is 24.9 secs Computing kpt #: 76 total cpu time spent up to now is 25.2 secs Computing kpt #: 77 total cpu time spent up to now is 25.5 secs Computing kpt #: 78 total cpu time spent up to now is 25.8 secs Computing kpt #: 79 total cpu time spent up to now is 26.0 secs Computing kpt #: 80 total cpu time spent up to now is 26.3 secs Computing kpt #: 81 total cpu time spent up to now is 26.7 secs Computing kpt #: 82 total cpu time spent up to now is 27.0 secs Computing kpt #: 83 total cpu time spent up to now is 27.3 secs Computing kpt #: 84 total cpu time spent up to now is 27.6 secs Computing kpt #: 85 total cpu time spent up to now is 27.9 secs Computing kpt #: 86 total cpu time spent up to now is 28.2 secs Computing kpt #: 87 total cpu time spent up to now is 28.5 secs Computing kpt #: 88 total cpu time spent up to now is 28.7 secs Computing kpt #: 89 total cpu time spent up to now is 29.0 secs Computing kpt #: 90 total cpu time spent up to now is 29.3 secs Computing kpt #: 91 total cpu time spent up to now is 29.5 secs Computing kpt #: 92 total cpu time spent up to now is 29.8 secs Computing kpt #: 93 total cpu time spent up to now is 30.1 secs Computing kpt #: 94 total cpu time spent up to now is 30.3 secs Computing kpt #: 95 total cpu time spent up to now is 30.6 secs Computing kpt #: 96 total cpu time spent up to now is 30.9 secs Computing kpt #: 97 total cpu time spent up to now is 31.1 secs Computing kpt #: 98 total cpu time spent up to now is 31.4 secs Computing kpt #: 99 total cpu time spent up to now is 31.7 secs Computing kpt #: 100 total cpu time spent up to now is 31.9 secs Computing kpt #: 101 total cpu time spent up to now is 32.2 secs Computing kpt #: 102 total cpu time spent up to now is 32.4 secs Computing kpt #: 103 total cpu time spent up to now is 32.7 secs Computing kpt #: 104 total cpu time spent up to now is 32.9 secs Computing kpt #: 105 total cpu time spent up to now is 33.2 secs Computing kpt #: 106 total cpu time spent up to now is 33.4 secs Computing kpt #: 107 total cpu time spent up to now is 33.7 secs Computing kpt #: 108 total cpu time spent up to now is 33.9 secs Computing kpt #: 109 total cpu time spent up to now is 34.2 secs Computing kpt #: 110 total cpu time spent up to now is 34.4 secs Computing kpt #: 111 total cpu time spent up to now is 34.7 secs Computing kpt #: 112 total cpu time spent up to now is 35.0 secs Computing kpt #: 113 total cpu time spent up to now is 35.2 secs Computing kpt #: 114 total cpu time spent up to now is 35.5 secs Computing kpt #: 115 total cpu time spent up to now is 35.7 secs Computing kpt #: 116 total cpu time spent up to now is 36.0 secs Computing kpt #: 117 total cpu time spent up to now is 36.3 secs Computing kpt #: 118 total cpu time spent up to now is 36.5 secs Computing kpt #: 119 total cpu time spent up to now is 36.8 secs Computing kpt #: 120 total cpu time spent up to now is 37.0 secs Computing kpt #: 121 total cpu time spent up to now is 37.3 secs Computing kpt #: 122 total cpu time spent up to now is 37.6 secs Computing kpt #: 123 total cpu time spent up to now is 37.8 secs Computing kpt #: 124 total cpu time spent up to now is 38.1 secs Computing kpt #: 125 total cpu time spent up to now is 39.3 secs Computing kpt #: 126 total cpu time spent up to now is 39.6 secs Computing kpt #: 127 total cpu time spent up to now is 39.9 secs Computing kpt #: 128 total cpu time spent up to now is 40.2 secs Computing kpt #: 129 total cpu time spent up to now is 40.5 secs Computing kpt #: 130 total cpu time spent up to now is 40.8 secs Computing kpt #: 131 total cpu time spent up to now is 41.1 secs Computing kpt #: 132 total cpu time spent up to now is 41.4 secs Computing kpt #: 133 total cpu time spent up to now is 41.7 secs Computing kpt #: 134 total cpu time spent up to now is 42.0 secs Computing kpt #: 135 total cpu time spent up to now is 42.3 secs Computing kpt #: 136 total cpu time spent up to now is 42.6 secs Computing kpt #: 137 total cpu time spent up to now is 42.8 secs Computing kpt #: 138 total cpu time spent up to now is 43.1 secs Computing kpt #: 139 total cpu time spent up to now is 43.4 secs Computing kpt #: 140 total cpu time spent up to now is 43.6 secs Computing kpt #: 141 total cpu time spent up to now is 43.9 secs Computing kpt #: 142 total cpu time spent up to now is 44.2 secs Computing kpt #: 143 total cpu time spent up to now is 44.4 secs Computing kpt #: 144 total cpu time spent up to now is 44.7 secs Computing kpt #: 145 total cpu time spent up to now is 44.9 secs Computing kpt #: 146 total cpu time spent up to now is 45.2 secs Computing kpt #: 147 total cpu time spent up to now is 45.4 secs Computing kpt #: 148 total cpu time spent up to now is 45.7 secs Computing kpt #: 149 total cpu time spent up to now is 45.9 secs Computing kpt #: 150 total cpu time spent up to now is 46.2 secs Computing kpt #: 151 total cpu time spent up to now is 46.4 secs Computing kpt #: 152 total cpu time spent up to now is 46.7 secs Computing kpt #: 153 total cpu time spent up to now is 47.0 secs Computing kpt #: 154 total cpu time spent up to now is 47.2 secs Computing kpt #: 155 total cpu time spent up to now is 47.5 secs Computing kpt #: 156 total cpu time spent up to now is 47.7 secs Computing kpt #: 157 total cpu time spent up to now is 48.0 secs Computing kpt #: 158 total cpu time spent up to now is 48.3 secs Computing kpt #: 159 total cpu time spent up to now is 48.5 secs Computing kpt #: 160 total cpu time spent up to now is 48.8 secs Computing kpt #: 161 total cpu time spent up to now is 49.1 secs Computing kpt #: 162 total cpu time spent up to now is 49.4 secs Computing kpt #: 163 total cpu time spent up to now is 49.7 secs Computing kpt #: 164 total cpu time spent up to now is 50.0 secs Computing kpt #: 165 total cpu time spent up to now is 50.3 secs Computing kpt #: 166 total cpu time spent up to now is 50.7 secs Computing kpt #: 167 total cpu time spent up to now is 51.0 secs Computing kpt #: 168 total cpu time spent up to now is 51.3 secs Computing kpt #: 169 total cpu time spent up to now is 51.6 secs Computing kpt #: 170 total cpu time spent up to now is 51.9 secs Computing kpt #: 171 total cpu time spent up to now is 52.2 secs Computing kpt #: 172 total cpu time spent up to now is 52.5 secs Computing kpt #: 173 total cpu time spent up to now is 52.8 secs Computing kpt #: 174 total cpu time spent up to now is 53.1 secs Computing kpt #: 175 total cpu time spent up to now is 53.8 secs Computing kpt #: 176 total cpu time spent up to now is 54.1 secs Computing kpt #: 177 total cpu time spent up to now is 54.5 secs Computing kpt #: 178 total cpu time spent up to now is 54.8 secs Computing kpt #: 179 total cpu time spent up to now is 55.1 secs Computing kpt #: 180 total cpu time spent up to now is 55.4 secs Computing kpt #: 181 total cpu time spent up to now is 55.8 secs Computing kpt #: 182 total cpu time spent up to now is 56.1 secs Computing kpt #: 183 total cpu time spent up to now is 56.5 secs Computing kpt #: 184 total cpu time spent up to now is 56.8 secs Computing kpt #: 185 total cpu time spent up to now is 57.0 secs Computing kpt #: 186 total cpu time spent up to now is 57.3 secs Computing kpt #: 187 total cpu time spent up to now is 57.6 secs Computing kpt #: 188 total cpu time spent up to now is 57.9 secs Computing kpt #: 189 total cpu time spent up to now is 58.2 secs Computing kpt #: 190 total cpu time spent up to now is 58.5 secs Computing kpt #: 191 total cpu time spent up to now is 58.7 secs Computing kpt #: 192 total cpu time spent up to now is 59.0 secs Computing kpt #: 193 total cpu time spent up to now is 59.3 secs Computing kpt #: 194 total cpu time spent up to now is 59.6 secs Computing kpt #: 195 total cpu time spent up to now is 59.9 secs Computing kpt #: 196 total cpu time spent up to now is 60.2 secs Computing kpt #: 197 total cpu time spent up to now is 60.5 secs Computing kpt #: 198 total cpu time spent up to now is 60.8 secs Computing kpt #: 199 total cpu time spent up to now is 61.0 secs Computing kpt #: 200 total cpu time spent up to now is 61.2 secs Computing kpt #: 201 total cpu time spent up to now is 61.5 secs Computing kpt #: 202 total cpu time spent up to now is 61.7 secs Computing kpt #: 203 total cpu time spent up to now is 61.9 secs Computing kpt #: 204 total cpu time spent up to now is 62.1 secs Computing kpt #: 205 total cpu time spent up to now is 62.3 secs Computing kpt #: 206 total cpu time spent up to now is 62.6 secs Computing kpt #: 207 total cpu time spent up to now is 62.8 secs Computing kpt #: 208 total cpu time spent up to now is 63.0 secs Computing kpt #: 209 total cpu time spent up to now is 63.2 secs Computing kpt #: 210 total cpu time spent up to now is 63.5 secs Computing kpt #: 211 total cpu time spent up to now is 63.7 secs Computing kpt #: 212 total cpu time spent up to now is 63.9 secs Computing kpt #: 213 total cpu time spent up to now is 64.1 secs Computing kpt #: 214 total cpu time spent up to now is 64.4 secs Computing kpt #: 215 total cpu time spent up to now is 64.6 secs Computing kpt #: 216 total cpu time spent up to now is 64.9 secs Computing kpt #: 217 total cpu time spent up to now is 65.1 secs Computing kpt #: 218 total cpu time spent up to now is 65.4 secs Computing kpt #: 219 total cpu time spent up to now is 65.7 secs Computing kpt #: 220 total cpu time spent up to now is 66.0 secs Computing kpt #: 221 total cpu time spent up to now is 66.3 secs Computing kpt #: 222 total cpu time spent up to now is 66.6 secs Computing kpt #: 223 total cpu time spent up to now is 67.0 secs Computing kpt #: 224 total cpu time spent up to now is 67.3 secs Computing kpt #: 225 total cpu time spent up to now is 67.7 secs Computing kpt #: 226 total cpu time spent up to now is 68.1 secs Computing kpt #: 227 total cpu time spent up to now is 68.4 secs Computing kpt #: 228 total cpu time spent up to now is 68.8 secs Computing kpt #: 229 total cpu time spent up to now is 69.2 secs Computing kpt #: 230 total cpu time spent up to now is 69.5 secs Computing kpt #: 231 total cpu time spent up to now is 69.9 secs Computing kpt #: 232 total cpu time spent up to now is 70.3 secs Computing kpt #: 233 total cpu time spent up to now is 70.7 secs Computing kpt #: 234 total cpu time spent up to now is 71.1 secs Computing kpt #: 235 total cpu time spent up to now is 71.5 secs Computing kpt #: 236 total cpu time spent up to now is 71.8 secs Computing kpt #: 237 total cpu time spent up to now is 72.2 secs Computing kpt #: 238 total cpu time spent up to now is 72.6 secs Computing kpt #: 239 total cpu time spent up to now is 72.9 secs Computing kpt #: 240 total cpu time spent up to now is 73.2 secs Computing kpt #: 241 total cpu time spent up to now is 73.6 secs Computing kpt #: 242 total cpu time spent up to now is 73.9 secs Computing kpt #: 243 total cpu time spent up to now is 74.2 secs Computing kpt #: 244 total cpu time spent up to now is 74.5 secs Computing kpt #: 245 total cpu time spent up to now is 74.9 secs Computing kpt #: 246 total cpu time spent up to now is 75.2 secs Computing kpt #: 247 total cpu time spent up to now is 75.5 secs Computing kpt #: 248 total cpu time spent up to now is 75.8 secs Computing kpt #: 249 total cpu time spent up to now is 76.1 secs Computing kpt #: 250 total cpu time spent up to now is 76.3 secs Computing kpt #: 251 total cpu time spent up to now is 76.6 secs Computing kpt #: 252 total cpu time spent up to now is 76.9 secs Computing kpt #: 253 total cpu time spent up to now is 77.2 secs Computing kpt #: 254 total cpu time spent up to now is 77.5 secs Computing kpt #: 255 total cpu time spent up to now is 77.8 secs Computing kpt #: 256 total cpu time spent up to now is 78.0 secs Computing kpt #: 257 total cpu time spent up to now is 78.3 secs Computing kpt #: 258 total cpu time spent up to now is 78.6 secs Computing kpt #: 259 total cpu time spent up to now is 78.9 secs Computing kpt #: 260 total cpu time spent up to now is 79.2 secs Computing kpt #: 261 total cpu time spent up to now is 79.4 secs Computing kpt #: 262 total cpu time spent up to now is 79.7 secs Computing kpt #: 263 total cpu time spent up to now is 80.0 secs Computing kpt #: 264 total cpu time spent up to now is 80.2 secs Computing kpt #: 265 total cpu time spent up to now is 80.5 secs Computing kpt #: 266 total cpu time spent up to now is 80.8 secs Computing kpt #: 267 total cpu time spent up to now is 81.0 secs Computing kpt #: 268 total cpu time spent up to now is 81.3 secs Computing kpt #: 269 total cpu time spent up to now is 81.6 secs Computing kpt #: 270 total cpu time spent up to now is 81.8 secs Computing kpt #: 271 total cpu time spent up to now is 82.1 secs Computing kpt #: 272 total cpu time spent up to now is 82.3 secs Computing kpt #: 273 total cpu time spent up to now is 82.6 secs Computing kpt #: 274 total cpu time spent up to now is 82.8 secs Computing kpt #: 275 total cpu time spent up to now is 83.1 secs Computing kpt #: 276 total cpu time spent up to now is 83.4 secs Computing kpt #: 277 total cpu time spent up to now is 83.6 secs Computing kpt #: 278 total cpu time spent up to now is 83.9 secs Computing kpt #: 279 total cpu time spent up to now is 84.1 secs Computing kpt #: 280 total cpu time spent up to now is 84.4 secs Computing kpt #: 281 total cpu time spent up to now is 84.6 secs Computing kpt #: 282 total cpu time spent up to now is 84.9 secs Computing kpt #: 283 total cpu time spent up to now is 85.1 secs Computing kpt #: 284 total cpu time spent up to now is 85.4 secs Computing kpt #: 285 total cpu time spent up to now is 85.6 secs Computing kpt #: 286 total cpu time spent up to now is 85.9 secs Computing kpt #: 287 total cpu time spent up to now is 86.1 secs Computing kpt #: 288 total cpu time spent up to now is 86.4 secs Computing kpt #: 289 total cpu time spent up to now is 86.6 secs Computing kpt #: 290 total cpu time spent up to now is 86.9 secs Computing kpt #: 291 total cpu time spent up to now is 87.1 secs Computing kpt #: 292 total cpu time spent up to now is 87.4 secs Computing kpt #: 293 total cpu time spent up to now is 87.7 secs Computing kpt #: 294 total cpu time spent up to now is 87.9 secs Computing kpt #: 295 total cpu time spent up to now is 88.2 secs Computing kpt #: 296 total cpu time spent up to now is 88.5 secs Computing kpt #: 297 total cpu time spent up to now is 88.7 secs Computing kpt #: 298 total cpu time spent up to now is 89.0 secs Computing kpt #: 299 total cpu time spent up to now is 89.3 secs Computing kpt #: 300 total cpu time spent up to now is 89.6 secs Computing kpt #: 301 total cpu time spent up to now is 89.8 secs Computing kpt #: 302 total cpu time spent up to now is 90.1 secs Computing kpt #: 303 total cpu time spent up to now is 90.4 secs Computing kpt #: 304 total cpu time spent up to now is 90.6 secs Computing kpt #: 305 total cpu time spent up to now is 90.9 secs Computing kpt #: 306 total cpu time spent up to now is 91.1 secs Computing kpt #: 307 total cpu time spent up to now is 91.4 secs Computing kpt #: 308 total cpu time spent up to now is 91.6 secs Computing kpt #: 309 total cpu time spent up to now is 91.9 secs Computing kpt #: 310 total cpu time spent up to now is 92.1 secs Computing kpt #: 311 total cpu time spent up to now is 92.4 secs Computing kpt #: 312 total cpu time spent up to now is 92.6 secs Computing kpt #: 313 total cpu time spent up to now is 92.9 secs Computing kpt #: 314 total cpu time spent up to now is 93.1 secs Computing kpt #: 315 total cpu time spent up to now is 93.4 secs Computing kpt #: 316 total cpu time spent up to now is 93.6 secs Computing kpt #: 317 total cpu time spent up to now is 93.8 secs Computing kpt #: 318 total cpu time spent up to now is 94.1 secs Computing kpt #: 319 total cpu time spent up to now is 94.3 secs Computing kpt #: 320 total cpu time spent up to now is 94.5 secs Computing kpt #: 321 total cpu time spent up to now is 94.8 secs Computing kpt #: 322 total cpu time spent up to now is 95.0 secs Computing kpt #: 323 total cpu time spent up to now is 95.3 secs Computing kpt #: 324 total cpu time spent up to now is 95.5 secs Computing kpt #: 325 total cpu time spent up to now is 95.7 secs Computing kpt #: 326 total cpu time spent up to now is 96.0 secs Computing kpt #: 327 total cpu time spent up to now is 96.2 secs Computing kpt #: 328 total cpu time spent up to now is 96.5 secs Computing kpt #: 329 total cpu time spent up to now is 96.7 secs Computing kpt #: 330 total cpu time spent up to now is 96.9 secs Computing kpt #: 331 total cpu time spent up to now is 97.2 secs Computing kpt #: 332 total cpu time spent up to now is 97.4 secs Computing kpt #: 333 total cpu time spent up to now is 97.6 secs Computing kpt #: 334 total cpu time spent up to now is 97.9 secs Computing kpt #: 335 total cpu time spent up to now is 98.1 secs Computing kpt #: 336 total cpu time spent up to now is 98.4 secs Computing kpt #: 337 total cpu time spent up to now is 98.6 secs Computing kpt #: 338 total cpu time spent up to now is 99.0 secs Computing kpt #: 339 total cpu time spent up to now is 99.5 secs Computing kpt #: 340 total cpu time spent up to now is 99.7 secs Computing kpt #: 341 total cpu time spent up to now is 100.0 secs Computing kpt #: 342 total cpu time spent up to now is 100.2 secs Computing kpt #: 343 total cpu time spent up to now is 100.5 secs Computing kpt #: 344 total cpu time spent up to now is 100.7 secs Computing kpt #: 345 total cpu time spent up to now is 101.0 secs Computing kpt #: 346 total cpu time spent up to now is 101.2 secs Computing kpt #: 347 total cpu time spent up to now is 101.5 secs Computing kpt #: 348 total cpu time spent up to now is 101.7 secs Computing kpt #: 349 total cpu time spent up to now is 102.0 secs Computing kpt #: 350 total cpu time spent up to now is 102.2 secs Computing kpt #: 351 total cpu time spent up to now is 102.5 secs Computing kpt #: 352 total cpu time spent up to now is 102.7 secs Computing kpt #: 353 total cpu time spent up to now is 103.0 secs Computing kpt #: 354 total cpu time spent up to now is 103.3 secs Computing kpt #: 355 total cpu time spent up to now is 103.5 secs Computing kpt #: 356 total cpu time spent up to now is 103.8 secs Computing kpt #: 357 total cpu time spent up to now is 104.0 secs Computing kpt #: 358 total cpu time spent up to now is 104.3 secs Computing kpt #: 359 total cpu time spent up to now is 104.6 secs Computing kpt #: 360 total cpu time spent up to now is 104.8 secs Computing kpt #: 361 total cpu time spent up to now is 105.1 secs Computing kpt #: 362 total cpu time spent up to now is 105.3 secs Computing kpt #: 363 total cpu time spent up to now is 105.6 secs Computing kpt #: 364 total cpu time spent up to now is 105.8 secs Computing kpt #: 365 total cpu time spent up to now is 106.1 secs Computing kpt #: 366 total cpu time spent up to now is 106.3 secs Computing kpt #: 367 total cpu time spent up to now is 106.6 secs Computing kpt #: 368 total cpu time spent up to now is 106.8 secs Computing kpt #: 369 total cpu time spent up to now is 107.1 secs Computing kpt #: 370 total cpu time spent up to now is 107.4 secs Computing kpt #: 371 total cpu time spent up to now is 107.6 secs Computing kpt #: 372 total cpu time spent up to now is 107.9 secs Computing kpt #: 373 total cpu time spent up to now is 108.2 secs Computing kpt #: 374 total cpu time spent up to now is 108.4 secs Computing kpt #: 375 total cpu time spent up to now is 108.7 secs Computing kpt #: 376 total cpu time spent up to now is 109.0 secs Computing kpt #: 377 total cpu time spent up to now is 109.3 secs Computing kpt #: 378 total cpu time spent up to now is 109.6 secs Computing kpt #: 379 total cpu time spent up to now is 109.9 secs Computing kpt #: 380 total cpu time spent up to now is 110.2 secs Computing kpt #: 381 total cpu time spent up to now is 110.5 secs Computing kpt #: 382 total cpu time spent up to now is 110.8 secs Computing kpt #: 383 total cpu time spent up to now is 111.1 secs Computing kpt #: 384 total cpu time spent up to now is 111.5 secs Computing kpt #: 385 total cpu time spent up to now is 111.8 secs Computing kpt #: 386 total cpu time spent up to now is 112.1 secs Computing kpt #: 387 total cpu time spent up to now is 112.4 secs Computing kpt #: 388 total cpu time spent up to now is 112.7 secs Computing kpt #: 389 total cpu time spent up to now is 113.0 secs Computing kpt #: 390 total cpu time spent up to now is 113.3 secs Computing kpt #: 391 total cpu time spent up to now is 113.6 secs Computing kpt #: 392 total cpu time spent up to now is 114.5 secs Computing kpt #: 393 total cpu time spent up to now is 114.8 secs Computing kpt #: 394 total cpu time spent up to now is 115.1 secs Computing kpt #: 395 total cpu time spent up to now is 115.4 secs Computing kpt #: 396 total cpu time spent up to now is 115.6 secs Computing kpt #: 397 total cpu time spent up to now is 115.9 secs Computing kpt #: 398 total cpu time spent up to now is 116.1 secs Computing kpt #: 399 total cpu time spent up to now is 116.4 secs Computing kpt #: 400 total cpu time spent up to now is 116.6 secs Computing kpt #: 401 total cpu time spent up to now is 116.9 secs Computing kpt #: 402 total cpu time spent up to now is 117.1 secs Computing kpt #: 403 total cpu time spent up to now is 117.4 secs Computing kpt #: 404 total cpu time spent up to now is 117.6 secs Computing kpt #: 405 total cpu time spent up to now is 117.9 secs Computing kpt #: 406 total cpu time spent up to now is 118.1 secs Computing kpt #: 407 total cpu time spent up to now is 118.4 secs Computing kpt #: 408 total cpu time spent up to now is 118.6 secs Computing kpt #: 409 total cpu time spent up to now is 118.9 secs Computing kpt #: 410 total cpu time spent up to now is 119.1 secs Computing kpt #: 411 total cpu time spent up to now is 119.4 secs Computing kpt #: 412 total cpu time spent up to now is 119.6 secs Computing kpt #: 413 total cpu time spent up to now is 119.8 secs Computing kpt #: 414 total cpu time spent up to now is 120.1 secs ethr = 3.85E-08, avg # of iterations = 20.2 total cpu time spent up to now is 120.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1457 PWs) bands (ev): -11.8361 -11.8361 -9.7090 -9.7090 0.9911 0.9911 5.3178 5.3178 5.3753 5.3753 5.3766 5.3766 5.5072 5.5072 6.5290 6.5290 6.5567 6.5567 7.2804 7.2804 7.5139 7.5139 8.0543 8.0543 8.1753 8.1753 11.0510 11.0510 15.2944 15.2944 16.3722 16.3722 20.9134 20.9134 k = 0.0077-0.0144-0.0086 ( 1457 PWs) bands (ev): -11.8354 -11.8354 -9.7087 -9.7087 0.9919 0.9919 5.3130 5.3130 5.3636 5.3636 5.3757 5.3757 5.5213 5.5213 6.5278 6.5278 6.5556 6.5556 7.2805 7.2805 7.5140 7.5140 8.0541 8.0541 8.1751 8.1751 11.0523 11.0523 15.2969 15.2969 16.3740 16.3740 20.9136 20.9136 k = 0.0154-0.0288-0.0173 ( 1456 PWs) bands (ev): -11.8333 -11.8333 -9.7079 -9.7079 0.9941 0.9941 5.2918 5.2918 5.3452 5.3452 5.3742 5.3742 5.5525 5.5525 6.5242 6.5242 6.5526 6.5526 7.2808 7.2808 7.5143 7.5143 8.0535 8.0535 8.1745 8.1745 11.0565 11.0565 15.3044 15.3044 16.3795 16.3795 20.9143 20.9143 k = 0.0231-0.0431-0.0259 ( 1455 PWs) bands (ev): -11.8297 -11.8297 -9.7065 -9.7065 0.9979 0.9979 5.2508 5.2508 5.3359 5.3359 5.3718 5.3718 5.5887 5.5887 6.5175 6.5175 6.5485 6.5485 7.2813 7.2813 7.5149 7.5149 8.0525 8.0525 8.1734 8.1734 11.0633 11.0633 15.3168 15.3168 16.3887 16.3887 20.9155 20.9155 k = 0.0308-0.0575-0.0346 ( 1456 PWs) bands (ev): -11.8248 -11.8248 -9.7046 -9.7046 1.0032 1.0032 5.1996 5.1996 5.3305 5.3305 5.3684 5.3684 5.6255 5.6255 6.5070 6.5070 6.5441 6.5441 7.2819 7.2819 7.5157 7.5157 8.0511 8.0511 8.1720 8.1720 11.0727 11.0727 15.3341 15.3341 16.4016 16.4016 20.9171 20.9171 k = 0.0385-0.0719-0.0432 ( 1454 PWs) bands (ev): -11.8184 -11.8184 -9.7022 -9.7022 1.0099 1.0099 5.1431 5.1431 5.3254 5.3254 5.3641 5.3641 5.6614 5.6614 6.4928 6.4928 6.5397 6.5397 7.2828 7.2828 7.5168 7.5168 8.0493 8.0493 8.1701 8.1701 11.0846 11.0846 15.3561 15.3561 16.4180 16.4180 20.9190 20.9190 k = 0.0462-0.0863-0.0519 ( 1457 PWs) bands (ev): -11.8106 -11.8106 -9.6993 -9.6993 1.0181 1.0181 5.0830 5.0830 5.3197 5.3197 5.3588 5.3588 5.6957 5.6957 6.4752 6.4752 6.5353 6.5353 7.2836 7.2836 7.5182 7.5182 8.0470 8.0470 8.1678 8.1678 11.0990 11.0990 15.3829 15.3829 16.4379 16.4379 20.9212 20.9212 k = 0.0538-0.1006-0.0605 ( 1457 PWs) bands (ev): -11.8014 -11.8014 -9.6959 -9.6959 1.0277 1.0277 5.0200 5.0200 5.3129 5.3129 5.3524 5.3524 5.7281 5.7281 6.4551 6.4551 6.5308 6.5308 7.2844 7.2844 7.5200 7.5200 8.0443 8.0443 8.1652 8.1652 11.1156 11.1156 15.4141 15.4141 16.4615 16.4615 20.9235 20.9235 k = 0.0615-0.1150-0.0692 ( 1454 PWs) bands (ev): -11.7909 -11.7909 -9.6919 -9.6919 1.0387 1.0387 4.9543 4.9543 5.3047 5.3047 5.3447 5.3447 5.7585 5.7585 6.4330 6.4330 6.5259 6.5259 7.2852 7.2852 7.5223 7.5223 8.0412 8.0412 8.1622 8.1622 11.1342 11.1342 15.4496 15.4496 16.4884 16.4884 20.9259 20.9259 k = 0.0692-0.1294-0.0778 ( 1456 PWs) bands (ev): -11.7789 -11.7789 -9.6875 -9.6875 1.0511 1.0511 4.8863 4.8863 5.2952 5.2952 5.3354 5.3354 5.7869 5.7869 6.4098 6.4098 6.5207 6.5207 7.2859 7.2859 7.5250 7.5250 8.0376 8.0376 8.1588 8.1588 11.1548 11.1548 15.4893 15.4893 16.5188 16.5188 20.9282 20.9282 k = 0.0769-0.1438-0.0865 ( 1458 PWs) bands (ev): -11.7657 -11.7657 -9.6826 -9.6826 1.0649 1.0649 4.8161 4.8161 5.2841 5.2841 5.3241 5.3241 5.8133 5.8133 6.3860 6.3860 6.5149 6.5149 7.2863 7.2863 7.5284 7.5284 8.0335 8.0335 8.1551 8.1551 11.1771 11.1771 15.5329 15.5329 16.5524 16.5524 20.9302 20.9302 k = 0.0846-0.1582-0.0951 ( 1459 PWs) bands (ev): -11.7510 -11.7510 -9.6772 -9.6772 1.0800 1.0800 4.7438 4.7438 5.2715 5.2715 5.3106 5.3106 5.8377 5.8377 6.3625 6.3625 6.5088 6.5088 7.2866 7.2866 7.5324 7.5324 8.0290 8.0290 8.1511 8.1511 11.2009 11.2009 15.5802 15.5802 16.5893 16.5893 20.9317 20.9317 k = 0.0923-0.1725-0.1038 ( 1457 PWs) bands (ev): -11.7350 -11.7350 -9.6714 -9.6714 1.0963 1.0963 4.6695 4.6695 5.2573 5.2573 5.2945 5.2945 5.8601 5.8601 6.3401 6.3401 6.5022 6.5022 7.2867 7.2867 7.5372 7.5372 8.0241 8.0241 8.1469 8.1469 11.2260 11.2260 15.6309 15.6309 16.6292 16.6292 20.9325 20.9325 k = 0.1000-0.1869-0.1124 ( 1461 PWs) bands (ev): -11.7177 -11.7177 -9.6652 -9.6652 1.1138 1.1138 4.5934 4.5934 5.2412 5.2412 5.2757 5.2757 5.8806 5.8806 6.3193 6.3193 6.4951 6.4951 7.2864 7.2864 7.5426 7.5426 8.0186 8.0186 8.1423 8.1423 11.2522 11.2522 15.6848 15.6848 16.6721 16.6721 20.9322 20.9322 k = 0.1077-0.2013-0.1211 ( 1461 PWs) bands (ev): -11.6991 -11.6991 -9.6586 -9.6586 1.1326 1.1326 4.5155 4.5155 5.2224 5.2224 5.2546 5.2546 5.8993 5.8993 6.3009 6.3009 6.4875 6.4875 7.2858 7.2858 7.5489 7.5489 8.0127 8.0127 8.1376 8.1376 11.2794 11.2794 15.7414 15.7414 16.7179 16.7179 20.9306 20.9306 k = 0.1154-0.2157-0.1297 ( 1461 PWs) bands (ev): -11.6793 -11.6793 -9.6516 -9.6516 1.1524 1.1524 4.4361 4.4361 5.1995 5.1995 5.2326 5.2326 5.9161 5.9161 6.2854 6.2854 6.4795 6.4795 7.2850 7.2850 7.5560 7.5560 8.0063 8.0063 8.1327 8.1327 11.3073 11.3073 15.8006 15.8006 16.7665 16.7665 20.9272 20.9272 k = 0.1231-0.2300-0.1384 ( 1461 PWs) bands (ev): -11.6581 -11.6581 -9.6442 -9.6442 1.1733 1.1733 4.3552 4.3552 5.1709 5.1709 5.2110 5.2110 5.9311 5.9311 6.2734 6.2734 6.4711 6.4711 7.2839 7.2839 7.5639 7.5639 7.9996 7.9996 8.1277 8.1277 11.3358 11.3358 15.8620 15.8620 16.8176 16.8176 20.9217 20.9217 k = 0.1308-0.2444-0.1470 ( 1459 PWs) bands (ev): -11.6358 -11.6358 -9.6365 -9.6365 1.1951 1.1951 4.2729 4.2729 5.1364 5.1364 5.1902 5.1902 5.9441 5.9441 6.2652 6.2652 6.4623 6.4623 7.2827 7.2827 7.5728 7.5728 7.9924 7.9924 8.1225 8.1225 11.3646 11.3646 15.9252 15.9252 16.8711 16.8711 20.9135 20.9135 k = 0.1385-0.2588-0.1557 ( 1459 PWs) bands (ev): -11.6122 -11.6122 -9.6285 -9.6285 1.2179 1.2179 4.1894 4.1894 5.0966 5.0966 5.1698 5.1698 5.9551 5.9551 6.2610 6.2610 6.4530 6.4530 7.2813 7.2813 7.5823 7.5823 7.9847 7.9847 8.1172 8.1172 11.3938 11.3938 15.9900 15.9900 16.9269 16.9269 20.9023 20.9023 k = 0.1462-0.2732-0.1643 ( 1460 PWs) bands (ev): -11.5875 -11.5875 -9.6202 -9.6202 1.2415 1.2415 4.1048 4.1048 5.0522 5.0522 5.1494 5.1494 5.9641 5.9641 6.2609 6.2609 6.4434 6.4434 7.2799 7.2799 7.5927 7.5927 7.9767 7.9767 8.1119 8.1119 11.4231 11.4231 16.0558 16.0558 16.9848 16.9848 20.8874 20.8874 k = 0.1538-0.2876-0.1730 ( 1458 PWs) bands (ev): -11.5615 -11.5615 -9.6117 -9.6117 1.2658 1.2658 4.0191 4.0191 5.0038 5.0038 5.1288 5.1288 5.9709 5.9709 6.2650 6.2650 6.4334 6.4334 7.2786 7.2786 7.6039 7.6039 7.9683 7.9683 8.1065 8.1065 11.4523 11.4523 16.1223 16.1223 17.0444 17.0444 20.8686 20.8686 k = 0.1615-0.3019-0.1816 ( 1458 PWs) bands (ev): -11.5345 -11.5345 -9.6030 -9.6030 1.2908 1.2908 3.9326 3.9326 4.9521 4.9521 5.1078 5.1078 5.9755 5.9755 6.2729 6.2729 6.4231 6.4231 7.2775 7.2775 7.6158 7.6158 7.9596 7.9596 8.1011 8.1011 11.4813 11.4813 16.1891 16.1891 17.1056 17.1056 20.8454 20.8454 k = 0.1692-0.3163-0.1903 ( 1460 PWs) bands (ev): -11.5064 -11.5064 -9.5941 -9.5941 1.3163 1.3163 3.8453 3.8453 4.8975 4.8975 5.0864 5.0864 5.9779 5.9779 6.2845 6.2845 6.4124 6.4124 7.2769 7.2769 7.6283 7.6283 7.9506 7.9506 8.0957 8.0957 11.5101 11.5101 16.2558 16.2558 17.1681 17.1681 20.8178 20.8178 k = 0.1769-0.3307-0.1989 ( 1461 PWs) bands (ev): -11.4772 -11.4772 -9.5850 -9.5850 1.3423 1.3423 3.7575 3.7575 4.8407 4.8407 5.0648 5.0648 5.9783 5.9783 6.2993 6.2993 6.4015 6.4015 7.2768 7.2768 7.6414 7.6414 7.9413 7.9413 8.0903 8.0903 11.5384 11.5384 16.3220 16.3220 17.2315 17.2315 20.7858 20.7858 k = 0.1846-0.3451-0.2076 ( 1463 PWs) bands (ev): -11.4470 -11.4470 -9.5758 -9.5758 1.3686 1.3686 3.6691 3.6691 4.7821 4.7821 5.0428 5.0428 5.9768 5.9768 6.3168 6.3168 6.3904 6.3904 7.2776 7.2776 7.6550 7.6550 7.9319 7.9319 8.0850 8.0850 11.5663 11.5663 16.3872 16.3872 17.2956 17.2956 20.7498 20.7498 k = 0.1923-0.3594-0.2162 ( 1469 PWs) bands (ev): -11.4158 -11.4158 -9.5666 -9.5666 1.3951 1.3951 3.5805 3.5805 4.7222 4.7222 5.0205 5.0205 5.9734 5.9734 6.3362 6.3362 6.3794 6.3794 7.2794 7.2794 7.6691 7.6691 7.9222 7.9222 8.0796 8.0796 11.5935 11.5935 16.4509 16.4509 17.3597 17.3597 20.7106 20.7106 k = 0.2000-0.3738-0.2249 ( 1473 PWs) bands (ev): -11.3837 -11.3837 -9.5573 -9.5573 1.4217 1.4217 3.4916 3.4916 4.6615 4.6615 4.9981 4.9981 5.9684 5.9684 6.3547 6.3547 6.3709 6.3709 7.2825 7.2825 7.6836 7.6836 7.9125 7.9125 8.0744 8.0744 11.6201 11.6201 16.5127 16.5127 17.4236 17.4236 20.6689 20.6689 k = 0.2077-0.3882-0.2335 ( 1473 PWs) bands (ev): -11.3507 -11.3507 -9.5481 -9.5481 1.4482 1.4482 3.4027 3.4027 4.6004 4.6004 4.9755 4.9755 5.9618 5.9618 6.3527 6.3527 6.3840 6.3840 7.2874 7.2874 7.6986 7.6986 7.9027 7.9027 8.0693 8.0693 11.6458 11.6458 16.5722 16.5722 17.4865 17.4865 20.6258 20.6258 k = 0.2154-0.4026-0.2422 ( 1467 PWs) bands (ev): -11.3168 -11.3168 -9.5388 -9.5388 1.4746 1.4746 3.3138 3.3138 4.5394 4.5394 4.9528 4.9528 5.9538 5.9538 6.3415 6.3415 6.4068 6.4068 7.2942 7.2942 7.7139 7.7139 7.8931 7.8931 8.0643 8.0643 11.6708 11.6708 16.6288 16.6288 17.5478 17.5478 20.5823 20.5823 k = 0.2231-0.4170-0.2508 ( 1465 PWs) bands (ev): -11.2821 -11.2821 -9.5297 -9.5297 1.5005 1.5005 3.2252 3.2252 4.4788 4.4788 4.9301 4.9301 5.9445 5.9445 6.3295 6.3295 6.4306 6.4306 7.3033 7.3033 7.7294 7.7294 7.8835 7.8835 8.0595 8.0595 11.6948 11.6948 16.6822 16.6822 17.6066 17.6066 20.5394 20.5394 k = 0.2308-0.4313-0.2595 ( 1469 PWs) bands (ev): -11.2466 -11.2466 -9.5207 -9.5207 1.5260 1.5260 3.1370 3.1370 4.4191 4.4191 4.9073 4.9073 5.9339 5.9339 6.3172 6.3172 6.4542 6.4542 7.3149 7.3149 7.7450 7.7450 7.8741 7.8741 8.0547 8.0547 11.7178 11.7178 16.7317 16.7317 17.6620 17.6620 20.4976 20.4976 k = 0.2385-0.4457-0.2681 ( 1469 PWs) bands (ev): -11.2105 -11.2105 -9.5119 -9.5119 1.5507 1.5507 3.0492 3.0492 4.3604 4.3604 4.8846 4.8846 5.9222 5.9222 6.3048 6.3048 6.4771 6.4771 7.3296 7.3296 7.7606 7.7606 7.8650 7.8650 8.0502 8.0502 11.7398 11.7398 16.7769 16.7769 17.7127 17.7127 20.4475 20.4475 k = 0.2462-0.4601-0.2768 ( 1473 PWs) bands (ev): -11.1736 -11.1736 -9.5033 -9.5033 1.5746 1.5746 2.9622 2.9622 4.3033 4.3033 4.8620 4.8620 5.9093 5.9093 6.2923 6.2923 6.4989 6.4989 7.3474 7.3474 7.7758 7.7758 7.8565 7.8565 8.0460 8.0460 11.7606 11.7606 16.8173 16.8173 17.7574 17.7574 20.3256 20.3256 k = 0.2538-0.4745-0.2854 ( 1469 PWs) bands (ev): -11.1362 -11.1362 -9.4950 -9.4950 1.5975 1.5975 2.8759 2.8759 4.2480 4.2480 4.8396 4.8396 5.8955 5.8955 6.2798 6.2798 6.5192 6.5192 7.3687 7.3687 7.7906 7.7906 7.8491 7.8491 8.0420 8.0420 11.7803 11.7803 16.8525 16.8525 17.7944 17.7944 20.1949 20.1949 k = 0.2615-0.4888-0.2941 ( 1471 PWs) bands (ev): -11.0982 -11.0982 -9.4870 -9.4870 1.6191 1.6191 2.7907 2.7907 4.1948 4.1948 4.8173 4.8173 5.8806 5.8806 6.2672 6.2672 6.5376 6.5376 7.3936 7.3936 7.8035 7.8035 7.8437 7.8437 8.0384 8.0384 11.7988 11.7988 16.8819 16.8819 17.8218 17.8218 20.0709 20.0709 k = 0.2692-0.5032-0.3027 ( 1470 PWs) bands (ev): -11.0597 -11.0597 -9.4794 -9.4794 1.6393 1.6393 2.7066 2.7066 4.1440 4.1440 4.7953 4.7953 5.8648 5.8648 6.2547 6.2547 6.5538 6.5538 7.4221 7.4221 7.8119 7.8119 7.8435 7.8435 8.0352 8.0352 11.8160 11.8160 16.9051 16.9051 17.8377 17.8377 19.9574 19.9574 k = 0.2769-0.5176-0.3114 ( 1471 PWs) bands (ev): -11.0208 -11.0208 -9.4721 -9.4721 1.6578 1.6578 2.6238 2.6238 4.0959 4.0959 4.7736 4.7736 5.8481 5.8481 6.2422 6.2422 6.5679 6.5679 7.4539 7.4539 7.8134 7.8134 7.8510 7.8510 8.0325 8.0325 11.8318 11.8318 16.9215 16.9215 17.8402 17.8402 19.8578 19.8578 k = 0.2846-0.5320-0.3200 ( 1473 PWs) bands (ev): -10.9816 -10.9816 -9.4653 -9.4653 1.6745 1.6745 2.5425 2.5425 4.0506 4.0506 4.7522 4.7522 5.8307 5.8307 6.2298 6.2298 6.5796 6.5796 7.4885 7.4885 7.8115 7.8115 7.8627 7.8627 8.0305 8.0305 11.8463 11.8463 16.9306 16.9306 17.8279 17.8279 19.7747 19.7747 k = 0.2923-0.5464-0.3287 ( 1475 PWs) bands (ev): -10.9420 -10.9420 -9.4590 -9.4590 1.6892 1.6892 2.4629 2.4629 4.0084 4.0084 4.7312 4.7312 5.8125 5.8125 6.2176 6.2176 6.5891 6.5891 7.5250 7.5250 7.8102 7.8102 7.8756 7.8756 8.0295 8.0295 11.8593 11.8593 16.9318 16.9318 17.8004 17.8004 19.7099 19.7099 k = 0.3000-0.5607-0.3373 ( 1475 PWs) bands (ev): -10.9022 -10.9022 -9.4532 -9.4532 1.7016 1.7016 2.3852 2.3852 3.9694 3.9694 4.7106 4.7106 5.7936 5.7936 6.2055 6.2055 6.5965 6.5965 7.5619 7.5619 7.8117 7.8117 7.8883 7.8883 8.0296 8.0296 11.8709 11.8709 16.9241 16.9241 17.7584 17.7584 19.6639 19.6639 k = 0.3077-0.5751-0.3460 ( 1472 PWs) bands (ev): -10.8623 -10.8623 -9.4480 -9.4480 1.7115 1.7115 2.3097 2.3097 3.9339 3.9339 4.6904 4.6904 5.7742 5.7742 6.1936 6.1936 6.6019 6.6019 7.5968 7.5968 7.8183 7.8183 7.9003 7.9003 8.0312 8.0312 11.8810 11.8810 16.9067 16.9067 17.7042 17.7042 19.6359 19.6359 k = 0.3154-0.5895-0.3546 ( 1476 PWs) bands (ev): -10.8224 -10.8224 -9.4434 -9.4434 1.7187 1.7187 2.2367 2.2367 3.9019 3.9019 4.6708 4.6708 5.7543 5.7543 6.1818 6.1818 6.6055 6.6055 7.6265 7.6265 7.8328 7.8328 7.9113 7.9113 8.0348 8.0348 11.8894 11.8894 16.8784 16.8784 17.6414 17.6414 19.6242 19.6242 k = 0.3231-0.6039-0.3633 ( 1480 PWs) bands (ev): -10.7824 -10.7824 -9.4395 -9.4395 1.7229 1.7229 2.1665 2.1665 3.8735 3.8735 4.6517 4.6517 5.7338 5.7338 6.1704 6.1704 6.6076 6.6076 7.6481 7.6481 7.8567 7.8567 7.9217 7.9217 8.0408 8.0408 11.8962 11.8962 16.8381 16.8381 17.5742 17.5742 19.6263 19.6263 k = 0.3308-0.6182-0.3719 ( 1482 PWs) bands (ev): -10.7425 -10.7425 -9.4362 -9.4362 1.7236 1.7236 2.0998 2.0998 3.8487 3.8487 4.6331 4.6331 5.7130 5.7130 6.1592 6.1592 6.6083 6.6083 7.6611 7.6611 7.8871 7.8871 7.9339 7.9339 8.0501 8.0501 11.9014 11.9014 16.7846 16.7846 17.5069 17.5069 19.6395 19.6395 k = 0.3385-0.6326-0.3806 ( 1482 PWs) bands (ev): -10.7029 -10.7029 -9.4336 -9.4336 1.7203 1.7203 2.0371 2.0371 3.8274 3.8274 4.6152 4.6152 5.6920 5.6920 6.1482 6.1482 6.6078 6.6078 7.6674 7.6674 7.9115 7.9115 7.9564 7.9564 8.0644 8.0644 11.9048 11.9048 16.7179 16.7179 17.4429 17.4429 19.6611 19.6611 k = 0.3462-0.6470-0.3892 ( 1478 PWs) bands (ev): -10.6635 -10.6635 -9.4317 -9.4317 1.7121 1.7121 1.9797 1.9797 3.8097 3.8097 4.5979 4.5979 5.6707 5.6707 6.1377 6.1377 6.6064 6.6064 7.6692 7.6692 7.9222 7.9222 7.9910 7.9910 8.0873 8.0873 11.9065 11.9065 16.6385 16.6385 17.3843 17.3843 19.6889 19.6889 k = 0.3538-0.6614-0.3979 ( 1476 PWs) bands (ev): -10.6245 -10.6245 -9.4306 -9.4306 1.6978 1.6978 1.9288 1.9288 3.7954 3.7954 4.5812 4.5812 5.6494 5.6494 6.1274 6.1274 6.6042 6.6042 7.6683 7.6683 7.9266 7.9266 8.0225 8.0225 8.1240 8.1240 11.9064 11.9064 16.5482 16.5482 17.3319 17.3319 19.7209 19.7209 k = 0.3615-0.6758-0.4065 ( 1474 PWs) bands (ev): -10.5860 -10.5860 -9.4302 -9.4302 1.6764 1.6764 1.8858 1.8858 3.7843 3.7843 4.5652 4.5652 5.6280 5.6280 6.1175 6.1175 6.6014 6.6014 7.6658 7.6658 7.9285 7.9285 8.0455 8.0455 8.1747 8.1747 11.9045 11.9045 16.4495 16.4495 17.2856 17.2856 19.7553 19.7553 k = 0.3692-0.6901-0.4151 ( 1474 PWs) bands (ev): -10.5481 -10.5481 -9.4306 -9.4306 1.6475 1.6475 1.8514 1.8514 3.7761 3.7761 4.5500 4.5500 5.6067 5.6067 6.1080 6.1080 6.5981 6.5981 7.6623 7.6623 7.9291 7.9291 8.0628 8.0628 8.2343 8.2343 11.9007 11.9007 16.3452 16.3452 17.2443 17.2443 19.7908 19.7908 k = 0.3769-0.7045-0.4238 ( 1479 PWs) bands (ev): -10.5109 -10.5109 -9.4317 -9.4317 1.6123 1.6123 1.8246 1.8246 3.7708 3.7708 4.5355 4.5355 5.5856 5.5856 6.0990 6.0990 6.5944 6.5944 7.6582 7.6582 7.9288 7.9288 8.0772 8.0772 8.2985 8.2985 11.8952 11.8952 16.2378 16.2378 17.2074 17.2074 19.8263 19.8263 k = 0.3846-0.7189-0.4324 ( 1477 PWs) bands (ev): -10.4746 -10.4746 -9.4335 -9.4335 1.5731 1.5731 1.8035 1.8035 3.7679 3.7679 4.5217 4.5217 5.5648 5.5648 6.0903 6.0903 6.5905 6.5905 7.6541 7.6541 7.9281 7.9281 8.0902 8.0902 8.3651 8.3651 11.8879 11.8879 16.1294 16.1294 17.1740 17.1740 19.8610 19.8610 k = 0.3923-0.7333-0.4411 ( 1477 PWs) bands (ev): -10.4393 -10.4393 -9.4361 -9.4361 1.5322 1.5322 1.7861 1.7861 3.7672 3.7672 4.5087 4.5087 5.5445 5.5445 6.0822 6.0822 6.5865 6.5865 7.6498 7.6498 7.9272 7.9272 8.1021 8.1021 8.4327 8.4327 11.8789 11.8789 16.0221 16.0221 17.1435 17.1435 19.8940 19.8940 k = 0.4000-0.7476-0.4497 ( 1475 PWs) bands (ev): -10.4051 -10.4051 -9.4392 -9.4392 1.4914 1.4914 1.7709 1.7709 3.7685 3.7685 4.4966 4.4966 5.5247 5.5247 6.0745 6.0745 6.5825 6.5825 7.6456 7.6456 7.9260 7.9260 8.1133 8.1133 8.5004 8.5004 11.8683 11.8683 15.9173 15.9173 17.1156 17.1156 19.9250 19.9250 k = 0.4077-0.7620-0.4584 ( 1475 PWs) bands (ev): -10.3722 -10.3722 -9.4430 -9.4430 1.4518 1.4518 1.7573 1.7573 3.7713 3.7713 4.4852 4.4852 5.5056 5.5056 6.0673 6.0673 6.5784 6.5784 7.6415 7.6415 7.9247 7.9247 8.1236 8.1236 8.5674 8.5674 11.8562 11.8562 15.8164 15.8164 17.0898 17.0898 19.9536 19.9536 k = 0.4154-0.7764-0.4670 ( 1473 PWs) bands (ev): -10.3407 -10.3407 -9.4473 -9.4473 1.4141 1.4141 1.7447 1.7447 3.7753 3.7753 4.4747 4.4747 5.4874 5.4874 6.0606 6.0606 6.5745 6.5745 7.6377 7.6377 7.9234 7.9234 8.1333 8.1333 8.6330 8.6330 11.8429 11.8429 15.7204 15.7204 17.0662 17.0662 19.9796 19.9796 k = 0.4231-0.7908-0.4757 ( 1471 PWs) bands (ev): -10.3109 -10.3109 -9.4520 -9.4520 1.3788 1.3788 1.7330 1.7330 3.7803 3.7803 4.4651 4.4651 5.4700 5.4700 6.0544 6.0544 6.5707 6.5707 7.6341 7.6341 7.9222 7.9222 8.1422 8.1422 8.6964 8.6964 11.8285 11.8285 15.6302 15.6302 17.0447 17.0447 20.0029 20.0029 k = 0.4308-0.8052-0.4843 ( 1467 PWs) bands (ev): -10.2829 -10.2829 -9.4570 -9.4570 1.3463 1.3463 1.7222 1.7222 3.7859 3.7859 4.4564 4.4564 5.4538 5.4538 6.0488 6.0488 6.5672 6.5672 7.6308 7.6308 7.9210 7.9210 8.1504 8.1504 8.7570 8.7570 11.8135 11.8135 15.5466 15.5466 17.0250 17.0250 20.0235 20.0235 k = 0.4385-0.8195-0.4930 ( 1465 PWs) bands (ev): -10.2569 -10.2569 -9.4621 -9.4621 1.3167 1.3167 1.7122 1.7122 3.7918 3.7918 4.4485 4.4485 5.4388 5.4388 6.0438 6.0438 6.5639 6.5639 7.6278 7.6278 7.9199 7.9199 8.1578 8.1578 8.8140 8.8140 11.7981 11.7981 15.4703 15.4703 17.0074 17.0074 20.0415 20.0415 k = 0.4462-0.8339-0.5016 ( 1467 PWs) bands (ev): -10.2332 -10.2332 -9.4673 -9.4673 1.2903 1.2903 1.7031 1.7031 3.7978 3.7978 4.4415 4.4415 5.4252 5.4252 6.0393 6.0393 6.5609 6.5609 7.6250 7.6250 7.9188 7.9188 8.1643 8.1643 8.8668 8.8668 11.7828 11.7828 15.4018 15.4018 16.9917 16.9917 20.0571 20.0571 k = 0.4538-0.8483-0.5103 ( 1467 PWs) bands (ev): -10.2120 -10.2120 -9.4723 -9.4723 1.2672 1.2672 1.6950 1.6950 3.8035 3.8035 4.4355 4.4355 5.4131 5.4131 6.0354 6.0354 6.5582 6.5582 7.6226 7.6226 7.9178 7.9178 8.1700 8.1700 8.9145 8.9145 11.7681 11.7681 15.3416 15.3416 16.9780 16.9780 20.0702 20.0702 k = 0.4615-0.8627-0.5189 ( 1469 PWs) bands (ev): -10.1936 -10.1936 -9.4770 -9.4770 1.2475 1.2475 1.6879 1.6879 3.8088 3.8088 4.4303 4.4303 5.4026 5.4026 6.0320 6.0320 6.5559 6.5559 7.6205 7.6205 7.9170 7.9170 8.1748 8.1748 8.9564 8.9564 11.7545 11.7545 15.2900 15.2900 16.9664 16.9664 20.0810 20.0810 k = 0.4692-0.8770-0.5276 ( 1471 PWs) bands (ev): -10.1781 -10.1781 -9.4812 -9.4812 1.2313 1.2313 1.6821 1.6821 3.8135 3.8135 4.4261 4.4261 5.3938 5.3938 6.0293 6.0293 6.5540 6.5540 7.6188 7.6188 7.9163 7.9163 8.1788 8.1788 8.9917 8.9917 11.7424 11.7424 15.2475 15.2475 16.9569 16.9569 20.0897 20.0897 k = 0.4769-0.8914-0.5362 ( 1471 PWs) bands (ev): -10.1657 -10.1657 -9.4847 -9.4847 1.2187 1.2187 1.6774 1.6774 3.8172 3.8172 4.4228 4.4228 5.3869 5.3869 6.0272 6.0272 6.5524 6.5524 7.6175 7.6175 7.9158 7.9158 8.1820 8.1820 9.0200 9.0200 11.7324 11.7324 15.2141 15.2141 16.9494 16.9494 20.0964 20.0964 k = 0.4846-0.9058-0.5449 ( 1471 PWs) bands (ev): -10.1568 -10.1568 -9.4873 -9.4873 1.2096 1.2096 1.6741 1.6741 3.8200 3.8200 4.4204 4.4204 5.3819 5.3819 6.0257 6.0257 6.5514 6.5514 7.6165 7.6165 7.9154 7.9154 8.1842 8.1842 9.0407 9.0407 11.7250 11.7250 15.1901 15.1901 16.9441 16.9441 20.1011 20.1011 k = 0.4923-0.9202-0.5535 ( 1475 PWs) bands (ev): -10.1513 -10.1513 -9.4889 -9.4889 1.2041 1.2041 1.6720 1.6720 3.8218 3.8218 4.4190 4.4190 5.3789 5.3789 6.0247 6.0247 6.5506 6.5506 7.6160 7.6160 7.9151 7.9151 8.1856 8.1856 9.0532 9.0532 11.7204 11.7204 15.1757 15.1757 16.9408 16.9408 20.1038 20.1038 k = 0.5000-0.9346-0.5622 ( 1476 PWs) bands (ev): -10.1495 -10.1495 -9.4894 -9.4894 1.2023 1.2023 1.6714 1.6714 3.8224 3.8224 4.4186 4.4186 5.3779 5.3779 6.0244 6.0244 6.5504 6.5504 7.6158 7.6158 7.9150 7.9150 8.1860 8.1860 9.0574 9.0574 11.7188 11.7188 15.1709 15.1709 16.9398 16.9398 20.1048 20.1048 k = 0.5000-0.9346-0.5622 ( 1476 PWs) bands (ev): -10.1495 -10.1495 -9.4894 -9.4894 1.2023 1.2023 1.6714 1.6714 3.8224 3.8224 4.4186 4.4186 5.3779 5.3779 6.0244 6.0244 6.5504 6.5504 7.6158 7.6158 7.9150 7.9150 8.1860 8.1860 9.0574 9.0574 11.7188 11.7188 15.1709 15.1709 16.9398 16.9398 20.1048 20.1048 k = 0.5000-0.9250-0.5781 ( 1476 PWs) bands (ev): -10.1491 -10.1491 -9.4894 -9.4894 1.2032 1.2032 1.6719 1.6719 3.8227 3.8227 4.4141 4.4141 5.3798 5.3798 6.0207 6.0207 6.5525 6.5525 7.6159 7.6159 7.9147 7.9147 8.1849 8.1849 9.0574 9.0574 11.7214 11.7214 15.1726 15.1726 16.9437 16.9437 20.1064 20.1064 k = 0.5000-0.9154-0.5941 ( 1474 PWs) bands (ev): -10.1480 -10.1480 -9.4893 -9.4893 1.2057 1.2057 1.6737 1.6737 3.8236 3.8236 4.4008 4.4008 5.3854 5.3854 6.0098 6.0098 6.5587 6.5587 7.6164 7.6164 7.9136 7.9136 8.1817 8.1817 9.0574 9.0574 11.7294 11.7294 15.1776 15.1776 16.9556 16.9556 20.1115 20.1115 k = 0.5000-0.9058-0.6100 ( 1476 PWs) bands (ev): -10.1460 -10.1460 -9.4891 -9.4891 1.2098 1.2098 1.6767 1.6767 3.8252 3.8252 4.3791 4.3791 5.3943 5.3943 5.9920 5.9920 6.5686 6.5686 7.6171 7.6171 7.9118 7.9118 8.1763 8.1763 9.0574 9.0574 11.7427 11.7427 15.1860 15.1860 16.9753 16.9753 20.1198 20.1198 k = 0.5000-0.8962-0.6259 ( 1476 PWs) bands (ev): -10.1433 -10.1433 -9.4889 -9.4889 1.2157 1.2157 1.6809 1.6809 3.8274 3.8274 4.3497 4.3497 5.4059 5.4059 5.9680 5.9680 6.5816 6.5816 7.6181 7.6181 7.9093 7.9093 8.1688 8.1688 9.0573 9.0573 11.7611 11.7611 15.1976 15.1976 17.0027 17.0027 20.1314 20.1314 k = 0.5000-0.8866-0.6419 ( 1476 PWs) bands (ev): -10.1399 -10.1399 -9.4886 -9.4886 1.2231 1.2231 1.6862 1.6862 3.8302 3.8302 4.3131 4.3131 5.4198 5.4198 5.9386 5.9386 6.5973 6.5973 7.6193 7.6193 7.9061 7.9061 8.1594 8.1594 9.0573 9.0573 11.7847 11.7847 15.2123 15.2123 17.0377 17.0377 20.1463 20.1463 k = 0.5000-0.8770-0.6578 ( 1478 PWs) bands (ev): -10.1357 -10.1357 -9.4883 -9.4883 1.2323 1.2323 1.6926 1.6926 3.8336 3.8336 4.2702 4.2702 5.4353 5.4353 5.9042 5.9042 6.6150 6.6150 7.6208 7.6208 7.9021 7.9021 8.1481 8.1481 9.0573 9.0573 11.8132 11.8132 15.2299 15.2299 17.0799 17.0799 20.1643 20.1643 k = 0.5000-0.8674-0.6738 ( 1478 PWs) bands (ev): -10.1307 -10.1307 -9.4880 -9.4880 1.2430 1.2430 1.7002 1.7002 3.8376 3.8376 4.2218 4.2218 5.4517 5.4517 5.8656 5.8656 6.6344 6.6344 7.6226 7.6226 7.8975 7.8975 8.1351 8.1351 9.0572 9.0572 11.8467 11.8467 15.2503 15.2503 17.1293 17.1293 20.1853 20.1853 k = 0.5000-0.8578-0.6897 ( 1478 PWs) bands (ev): -10.1250 -10.1250 -9.4876 -9.4876 1.2554 1.2554 1.7089 1.7089 3.8421 3.8421 4.1684 4.1684 5.4686 5.4686 5.8232 5.8232 6.6551 6.6551 7.6247 7.6247 7.8922 7.8922 8.1205 8.1205 9.0571 9.0571 11.8849 11.8849 15.2733 15.2733 17.1853 17.1853 20.2093 20.2093 k = 0.5000-0.8483-0.7056 ( 1472 PWs) bands (ev): -10.1186 -10.1186 -9.4873 -9.4873 1.2694 1.2694 1.7186 1.7186 3.8472 3.8472 4.1108 4.1108 5.4855 5.4855 5.7775 5.7775 6.6769 6.6769 7.6270 7.6270 7.8863 7.8863 8.1045 8.1045 9.0572 9.0572 11.9277 11.9277 15.2985 15.2985 17.2478 17.2478 20.2361 20.2361 k = 0.5000-0.8387-0.7216 ( 1472 PWs) bands (ev): -10.1115 -10.1115 -9.4870 -9.4870 1.2850 1.2850 1.7294 1.7294 3.8528 3.8528 4.0496 4.0496 5.5020 5.5020 5.7288 5.7288 6.6995 6.6995 7.6294 7.6294 7.8796 7.8796 8.0873 8.0873 9.0572 9.0572 11.9750 11.9750 15.3258 15.3258 17.3163 17.3163 20.2654 20.2654 k = 0.5000-0.8291-0.7375 ( 1468 PWs) bands (ev): -10.1037 -10.1037 -9.4868 -9.4868 1.3021 1.3021 1.7412 1.7412 3.8587 3.8587 3.9853 3.9853 5.5179 5.5179 5.6777 5.6777 6.7230 6.7230 7.6322 7.6322 7.8723 7.8723 8.0691 8.0691 9.0573 9.0573 12.0266 12.0266 15.3548 15.3548 17.3904 17.3904 20.2970 20.2970 k = 0.5000-0.8195-0.7535 ( 1474 PWs) bands (ev): -10.0952 -10.0952 -9.4867 -9.4867 1.3207 1.3207 1.7539 1.7539 3.8645 3.8645 3.9190 3.9190 5.5329 5.5329 5.6245 5.6245 6.7470 6.7470 7.6349 7.6349 7.8641 7.8641 8.0500 8.0500 9.0573 9.0573 12.0823 12.0823 15.3852 15.3852 17.4695 17.4695 20.3302 20.3302 k = 0.5000-0.8099-0.7694 ( 1474 PWs) bands (ev): -10.0861 -10.0861 -9.4867 -9.4867 1.3409 1.3409 1.7675 1.7675 3.8456 3.8456 3.8755 3.8755 5.5461 5.5461 5.5700 5.5700 6.7717 6.7717 7.6380 7.6380 7.8552 7.8552 8.0304 8.0304 9.0574 9.0574 12.1420 12.1420 15.4166 15.4166 17.5532 17.5532 20.3634 20.3634 k = 0.5000-0.8003-0.7853 ( 1480 PWs) bands (ev): -10.0764 -10.0764 -9.4868 -9.4868 1.3625 1.3625 1.7820 1.7820 3.7764 3.7764 3.8809 3.8809 5.5117 5.5117 5.5604 5.5604 6.7967 6.7967 7.6411 7.6411 7.8455 7.8455 8.0105 8.0105 9.0575 9.0575 12.2055 12.2055 15.4487 15.4487 17.6408 17.6408 20.3834 20.3834 k = 0.5000-0.7907-0.8013 ( 1480 PWs) bands (ev): -10.0660 -10.0660 -9.4872 -9.4872 1.3856 1.3856 1.7973 1.7973 3.7041 3.7041 3.8883 3.8883 5.4541 5.4541 5.5717 5.5717 6.8224 6.8224 7.6444 7.6444 7.8349 7.8349 7.9905 7.9905 9.0577 9.0577 12.2727 12.2727 15.4810 15.4810 17.7319 17.7319 20.2739 20.2739 k = 0.5000-0.7811-0.8172 ( 1482 PWs) bands (ev): -10.0550 -10.0550 -9.4878 -9.4878 1.4100 1.4100 1.8132 1.8132 3.6305 3.6305 3.8961 3.8961 5.3953 5.3953 5.5818 5.5818 6.8485 6.8485 7.6477 7.6477 7.8234 7.8234 7.9709 7.9709 9.0579 9.0579 12.3435 12.3435 15.5130 15.5130 17.8258 17.8258 20.0834 20.0834 k = 0.5000-0.7716-0.8332 ( 1484 PWs) bands (ev): -10.0435 -10.0435 -9.4886 -9.4886 1.4358 1.4358 1.8298 1.8298 3.5562 3.5562 3.9042 3.9042 5.3360 5.3360 5.5905 5.5905 6.8750 6.8750 7.6510 7.6510 7.8108 7.8108 7.9518 7.9518 9.0583 9.0583 12.4176 12.4176 15.5443 15.5443 17.9218 17.9218 19.8862 19.8862 k = 0.5000-0.7620-0.8491 ( 1484 PWs) bands (ev): -10.0314 -10.0314 -9.4897 -9.4897 1.4629 1.4629 1.8470 1.8470 3.4815 3.4815 3.9125 3.9125 5.2764 5.2764 5.5977 5.5977 6.9019 6.9019 7.6542 7.6542 7.7971 7.7971 7.9336 7.9336 9.0588 9.0588 12.4950 12.4950 15.5741 15.5741 18.0191 18.0191 19.6891 19.6891 k = 0.5000-0.7524-0.8650 ( 1476 PWs) bands (ev): -10.0188 -10.0188 -9.4912 -9.4912 1.4912 1.4912 1.8646 1.8646 3.4068 3.4068 3.9209 3.9209 5.2170 5.2170 5.6035 5.6035 6.9291 6.9291 7.6574 7.6574 7.7823 7.7823 7.9167 7.9167 9.0594 9.0594 12.5756 12.5756 15.6019 15.6019 18.1171 18.1171 19.4943 19.4943 k = 0.5000-0.7428-0.8810 ( 1472 PWs) bands (ev): -10.0057 -10.0057 -9.4931 -9.4931 1.5206 1.5206 1.8826 1.8826 3.3323 3.3323 3.9293 3.9293 5.1581 5.1581 5.6078 5.6078 6.9566 6.9566 7.6601 7.6601 7.7665 7.7665 7.9011 7.9011 9.0601 9.0601 12.6592 12.6592 15.6268 15.6268 18.2149 18.2149 19.3034 19.3034 k = 0.5000-0.7332-0.8969 ( 1476 PWs) bands (ev): -9.9922 -9.9922 -9.4955 -9.4955 1.5511 1.5511 1.9009 1.9009 3.2583 3.2583 3.9376 3.9376 5.1000 5.1000 5.6105 5.6105 6.9841 6.9841 7.6622 7.6622 7.7499 7.7499 7.8870 7.8870 9.0610 9.0610 12.7457 12.7457 15.6480 15.6480 18.3117 18.3117 19.1177 19.1177 k = 0.5000-0.7236-0.9129 ( 1480 PWs) bands (ev): -9.9783 -9.9783 -9.4983 -9.4983 1.5825 1.5825 1.9193 1.9193 3.1853 3.1853 3.9457 3.9457 5.0433 5.0433 5.6116 5.6116 7.0117 7.0117 7.6631 7.6631 7.7333 7.7333 7.8744 7.8744 9.0619 9.0619 12.8350 12.8350 15.6644 15.6644 18.4068 18.4068 18.9385 18.9385 k = 0.5000-0.7140-0.9288 ( 1476 PWs) bands (ev): -9.9640 -9.9640 -9.5016 -9.5016 1.6148 1.6148 1.9377 1.9377 3.1136 3.1136 3.9535 3.9535 4.9882 4.9882 5.6113 5.6113 7.0393 7.0393 7.6617 7.6617 7.7180 7.7180 7.8635 7.8635 9.0632 9.0632 12.9271 12.9271 15.6748 15.6748 18.4992 18.4992 18.7675 18.7675 k = 0.5000-0.7044-0.9447 ( 1474 PWs) bands (ev): -9.9493 -9.9493 -9.5055 -9.5055 1.6478 1.6478 1.9560 1.9560 3.0435 3.0435 3.9609 3.9609 4.9351 4.9351 5.6095 5.6095 7.0666 7.0666 7.6562 7.6562 7.7061 7.7061 7.8540 7.8540 9.0647 9.0647 13.0218 13.0218 15.6778 15.6778 18.5880 18.5880 18.6062 18.6062 k = 0.5000-0.6948-0.9607 ( 1470 PWs) bands (ev): -9.9343 -9.9343 -9.5101 -9.5101 1.6812 1.6812 1.9741 1.9741 2.9753 2.9753 3.9678 3.9678 4.8846 4.8846 5.6061 5.6061 7.0937 7.0937 7.6449 7.6449 7.6992 7.6992 7.8461 7.8461 9.0665 9.0665 13.1191 13.1191 15.6720 15.6720 18.4559 18.4559 18.6730 18.6730 k = 0.5000-0.6853-0.9766 ( 1472 PWs) bands (ev): -9.9191 -9.9191 -9.5153 -9.5153 1.7149 1.7149 1.9918 1.9918 2.9095 2.9095 3.9741 3.9741 4.8369 4.8369 5.6013 5.6013 7.1203 7.1203 7.6293 7.6293 7.6961 7.6961 7.8396 7.8396 9.0685 9.0685 13.2188 13.2188 15.6559 15.6559 18.3188 18.3188 18.7528 18.7528 k = 0.5000-0.6757-0.9926 ( 1472 PWs) bands (ev): -9.9036 -9.9036 -9.5213 -9.5213 1.7486 1.7486 2.0089 2.0089 2.8465 2.8465 3.9796 3.9796 4.7924 4.7924 5.5950 5.5950 7.1462 7.1462 7.6115 7.6115 7.6949 7.6949 7.8346 7.8346 9.0707 9.0707 13.3210 13.3210 15.6279 15.6279 18.1966 18.1966 18.8270 18.8270 k = 0.5000-0.6661-1.0085 ( 1472 PWs) bands (ev): -9.8880 -9.8880 -9.5280 -9.5280 1.7820 1.7820 2.0252 2.0252 2.7869 2.7869 3.9843 3.9843 4.7516 4.7516 5.5872 5.5872 7.1712 7.1712 7.5931 7.5931 7.6943 7.6943 7.8311 7.8311 9.0733 9.0733 13.4255 13.4255 15.5867 15.5867 18.0906 18.0906 18.8950 18.8950 k = 0.5000-0.6565-1.0244 ( 1472 PWs) bands (ev): -9.8721 -9.8721 -9.5355 -9.5355 1.8144 1.8144 2.0407 2.0407 2.7312 2.7312 3.9881 3.9881 4.7147 4.7147 5.5780 5.5780 7.1950 7.1950 7.5750 7.5750 7.6937 7.6937 7.8290 7.8290 9.0761 9.0761 13.5323 13.5323 15.5314 15.5314 18.0020 18.0020 18.9564 18.9564 k = 0.5000-0.6469-1.0404 ( 1472 PWs) bands (ev): -9.8562 -9.8562 -9.5440 -9.5440 1.8454 1.8454 2.0552 2.0552 2.6802 2.6802 3.9912 3.9912 4.6821 4.6821 5.5675 5.5675 7.2171 7.2171 7.5578 7.5578 7.6928 7.6928 7.8283 7.8283 9.0793 9.0793 13.6413 13.6413 15.4617 15.4617 17.9313 17.9313 19.0109 19.0109 k = 0.5000-0.6373-1.0563 ( 1472 PWs) bands (ev): -9.8402 -9.8402 -9.5533 -9.5533 1.8742 1.8742 2.0685 2.0685 2.6348 2.6348 3.9934 3.9934 4.6538 4.6538 5.5555 5.5555 7.2373 7.2373 7.5420 7.5420 7.6915 7.6915 7.8290 7.8290 9.0828 9.0828 13.7525 13.7525 15.3779 15.3779 17.8784 17.8784 19.0584 19.0584 k = 0.5000-0.6277-1.0722 ( 1470 PWs) bands (ev): -9.8242 -9.8242 -9.5635 -9.5635 1.8998 1.8998 2.0804 2.0804 2.5959 2.5959 3.9950 3.9950 4.6301 4.6301 5.5423 5.5423 7.2549 7.2549 7.5283 7.5283 7.6900 7.6900 7.8309 7.8309 9.0866 9.0866 13.8658 13.8658 15.2809 15.2809 17.8425 17.8425 19.0989 19.0989 k = 0.5000-0.6181-1.0882 ( 1470 PWs) bands (ev): -9.8082 -9.8082 -9.5748 -9.5748 1.9212 1.9212 2.0909 2.0909 2.5648 2.5648 3.9962 3.9962 4.6108 4.6108 5.5277 5.5277 7.2692 7.2692 7.5173 7.5173 7.6881 7.6881 7.8338 7.8338 9.0907 9.0907 13.9811 13.9811 15.1722 15.1722 17.8224 17.8224 19.1325 19.1325 k = 0.5000-0.6085-1.1041 ( 1468 PWs) bands (ev): -9.7923 -9.7923 -9.5870 -9.5870 1.9371 1.9371 2.0999 2.0999 2.5427 2.5427 3.9974 3.9974 4.5958 4.5958 5.5120 5.5120 7.2796 7.2796 7.5097 7.5097 7.6861 7.6861 7.8378 7.8378 9.0951 9.0951 14.0984 14.0984 15.0536 15.0536 17.8166 17.8166 19.1596 19.1596 k = 0.5000-0.5990-1.1201 ( 1466 PWs) bands (ev): -9.7765 -9.7765 -9.6004 -9.6004 1.9469 1.9469 2.1072 2.1072 2.5305 2.5305 3.9989 3.9989 4.5850 4.5850 5.4950 5.4950 7.2857 7.2857 7.5058 7.5058 7.6839 7.6839 7.8426 7.8426 9.0997 9.0997 14.2175 14.2175 14.9269 14.9269 17.8236 17.8236 19.1804 19.1804 k = 0.5000-0.5894-1.1360 ( 1464 PWs) bands (ev): -9.7609 -9.7609 -9.6148 -9.6148 1.9501 1.9501 2.1128 2.1128 2.5284 2.5284 4.0010 4.0010 4.5779 4.5779 5.4770 5.4770 7.2874 7.2874 7.5057 7.5057 7.6818 7.6818 7.8482 7.8482 9.1045 9.1045 14.3383 14.3383 14.7941 14.7941 17.8416 17.8416 19.1955 19.1955 k = 0.5000-0.5798-1.1519 ( 1462 PWs) bands (ev): -9.7454 -9.7454 -9.6304 -9.6304 1.9472 1.9472 2.1167 2.1167 2.5363 2.5363 4.0044 4.0044 4.5743 4.5743 5.4579 5.4579 7.2850 7.2850 7.5089 7.5089 7.6798 7.6798 7.8543 7.8543 9.1094 9.1094 14.4598 14.4598 14.6578 14.6578 17.8694 17.8694 19.2051 19.2051 k = 0.5000-0.5702-1.1679 ( 1464 PWs) bands (ev): -9.7302 -9.7302 -9.6471 -9.6471 1.9392 1.9392 2.1190 2.1190 2.5530 2.5530 4.0092 4.0092 4.5738 4.5738 5.4379 5.4379 7.2794 7.2794 7.5145 7.5145 7.6780 7.6780 7.8610 7.8610 9.1142 9.1142 14.5066 14.5066 14.5948 14.5948 17.9055 17.9055 19.2099 19.2099 k = 0.5000-0.5606-1.1838 ( 1466 PWs) bands (ev): -9.7153 -9.7153 -9.6650 -9.6650 1.9275 1.9275 2.1198 2.1198 2.5771 2.5771 4.0158 4.0158 4.5761 4.5761 5.4169 5.4169 7.2713 7.2713 7.5218 7.5218 7.6763 7.6763 7.8681 7.8681 9.1189 9.1189 14.3691 14.3691 14.7160 14.7160 17.9491 17.9491 19.2102 19.2102 k = 0.5000-0.5510-1.1998 ( 1474 PWs) bands (ev): -9.7008 -9.7008 -9.6840 -9.6840 1.9136 1.9136 2.1191 2.1191 2.6071 2.6071 4.0245 4.0245 4.5807 4.5807 5.3951 5.3951 7.2616 7.2616 7.5298 7.5298 7.6748 7.6748 7.8755 7.8755 9.1233 9.1233 14.2261 14.2261 14.8437 14.8437 17.9991 17.9991 19.2065 19.2065 k = 0.8191-0.4710-1.0490 ( 1474 PWs) bands (ev): -9.7008 -9.7008 -9.6840 -9.6840 1.9136 1.9136 2.1191 2.1191 2.6071 2.6071 4.0245 4.0245 4.5807 4.5807 5.3951 5.3951 7.2616 7.2616 7.5298 7.5298 7.6748 7.6748 7.8755 7.8755 9.1233 9.1233 14.2261 14.2261 14.8437 14.8437 17.9991 17.9991 19.2065 19.2065 k = 0.8146-0.4626-1.0331 ( 1478 PWs) bands (ev): -9.7042 -9.7042 -9.6867 -9.6867 1.8989 1.8989 2.1171 2.1171 2.6416 2.6416 4.0355 4.0355 4.5874 4.5874 5.3728 5.3728 7.2509 7.2509 7.5377 7.5377 7.6737 7.6737 7.8833 7.8833 9.1273 9.1273 14.0839 14.0839 14.9726 14.9726 18.0546 18.0546 19.1991 19.1991 k = 0.8101-0.4542-1.0173 ( 1482 PWs) bands (ev): -9.7255 -9.7255 -9.6730 -9.6730 1.8843 1.8843 2.1141 2.1141 2.6794 2.6794 4.0487 4.0487 4.5959 4.5959 5.3499 5.3499 7.2397 7.2397 7.5454 7.5454 7.6730 7.6730 7.8914 7.8914 9.1307 9.1307 13.9428 13.9428 15.1032 15.1032 18.1152 18.1152 19.1886 19.1886 k = 0.8056-0.4458-1.0015 ( 1480 PWs) bands (ev): -9.7480 -9.7480 -9.6598 -9.6598 1.8707 1.8707 2.1102 2.1102 2.7199 2.7199 4.0643 4.0643 4.6061 4.6061 5.3265 5.3265 7.2285 7.2285 7.5523 7.5523 7.6726 7.6726 7.8997 7.8997 9.1333 9.1333 13.8036 13.8036 15.2353 15.2353 18.1803 18.1803 19.1751 19.1751 k = 0.8011-0.4374-0.9856 ( 1482 PWs) bands (ev): -9.7717 -9.7717 -9.6471 -9.6471 1.8586 1.8586 2.1057 2.1057 2.7623 2.7623 4.0822 4.0822 4.6176 4.6176 5.3028 5.3028 7.2172 7.2172 7.5583 7.5583 7.6727 7.6727 7.9083 7.9083 9.1348 9.1348 13.6670 13.6670 15.3689 15.3689 18.2498 18.2498 19.1588 19.1588 k = 0.7966-0.4290-0.9698 ( 1482 PWs) bands (ev): -9.7966 -9.7966 -9.6350 -9.6350 1.8486 1.8486 2.1008 2.1008 2.8061 2.8061 4.1024 4.1024 4.6304 4.6304 5.2788 5.2788 7.2062 7.2062 7.5630 7.5630 7.6730 7.6730 7.9169 7.9169 9.1350 9.1350 13.5337 13.5337 15.5039 15.5039 18.3231 18.3231 19.1398 19.1398 k = 0.7921-0.4206-0.9539 ( 1486 PWs) bands (ev): -9.8227 -9.8227 -9.6234 -9.6234 1.8408 1.8408 2.0957 2.0957 2.8508 2.8508 4.1246 4.1246 4.6444 4.6444 5.2547 5.2547 7.1955 7.1955 7.5663 7.5663 7.6738 7.6738 7.9258 7.9258 9.1335 9.1335 13.4043 13.4043 15.6401 15.6401 18.4001 18.4001 19.1183 19.1183 k = 0.7876-0.4122-0.9381 ( 1486 PWs) bands (ev): -9.8499 -9.8499 -9.6124 -9.6124 1.8357 1.8357 2.0908 2.0908 2.8960 2.8960 4.1487 4.1487 4.6594 4.6594 5.2307 5.2307 7.1853 7.1853 7.5682 7.5682 7.6751 7.6751 7.9347 7.9347 9.1302 9.1302 13.2792 13.2792 15.7774 15.7774 18.4805 18.4805 19.0943 19.0943 k = 0.7831-0.4038-0.9223 ( 1486 PWs) bands (ev): -9.8783 -9.8783 -9.6021 -9.6021 1.8333 1.8333 2.0863 2.0863 2.9414 2.9414 4.1746 4.1746 4.6754 4.6754 5.2070 5.2070 7.1757 7.1757 7.5685 7.5685 7.6768 7.6768 7.9437 7.9437 9.1247 9.1247 13.1591 13.1591 15.9157 15.9157 18.5641 18.5641 19.0675 19.0675 k = 0.7786-0.3954-0.9064 ( 1486 PWs) bands (ev): -9.9078 -9.9078 -9.5924 -9.5924 1.8338 1.8338 2.0824 2.0824 2.9868 2.9868 4.2019 4.2019 4.6923 4.6923 5.1837 5.1837 7.1666 7.1666 7.5672 7.5672 7.6790 7.6790 7.9528 7.9528 9.1168 9.1168 13.0443 13.0443 16.0550 16.0550 18.6507 18.6507 19.0380 19.0380 k = 0.7741-0.3870-0.8906 ( 1488 PWs) bands (ev): -9.9384 -9.9384 -9.5835 -9.5835 1.8372 1.8372 2.0794 2.0794 3.0318 3.0318 4.2305 4.2305 4.7101 4.7101 5.1609 5.1609 7.1581 7.1581 7.5641 7.5641 7.6817 7.6817 7.9620 7.9620 9.1061 9.1061 12.9354 12.9354 16.1949 16.1949 18.7401 18.7401 19.0053 19.0053 k = 0.7696-0.3786-0.8748 ( 1486 PWs) bands (ev): -9.9700 -9.9700 -9.5753 -9.5753 1.8436 1.8436 2.0774 2.0774 3.0762 3.0762 4.2600 4.2600 4.7289 4.7289 5.1390 5.1390 7.1503 7.1503 7.5593 7.5593 7.6850 7.6850 7.9713 7.9713 9.0923 9.0923 12.8326 12.8326 16.3352 16.3352 18.8320 18.8320 18.9694 18.9694 k = 0.7651-0.3702-0.8589 ( 1484 PWs) bands (ev): -10.0027 -10.0027 -9.5678 -9.5678 1.8530 1.8530 2.0766 2.0766 3.1199 3.1199 4.2903 4.2903 4.7487 4.7487 5.1180 5.1180 7.1430 7.1430 7.5528 7.5528 7.6889 7.6889 7.9806 7.9806 9.0753 9.0753 12.7363 12.7363 16.4758 16.4758 18.9199 18.9199 18.9362 18.9362 k = 0.7606-0.3618-0.8431 ( 1484 PWs) bands (ev): -10.0363 -10.0363 -9.5611 -9.5611 1.8654 1.8654 2.0773 2.0773 3.1625 3.1625 4.3210 4.3210 4.7695 4.7695 5.0983 5.0983 7.1365 7.1365 7.5445 7.5445 7.6932 7.6932 7.9899 7.9899 9.0547 9.0547 12.6468 12.6468 16.6162 16.6162 18.8848 18.8848 19.0242 19.0242 k = 0.7562-0.3534-0.8273 ( 1486 PWs) bands (ev): -10.0709 -10.0709 -9.5552 -9.5552 1.8806 1.8806 2.0796 2.0796 3.2039 3.2039 4.3520 4.3520 4.7913 4.7913 5.0800 5.0800 7.1305 7.1305 7.5344 7.5344 7.6979 7.6979 7.9993 7.9993 9.0305 9.0305 12.5644 12.5644 16.7561 16.7561 18.8371 18.8371 19.1226 19.1226 k = 0.7517-0.3450-0.8114 ( 1488 PWs) bands (ev): -10.1064 -10.1064 -9.5501 -9.5501 1.8987 1.8987 2.0837 2.0837 3.2439 3.2439 4.3828 4.3828 4.8142 4.8142 5.0633 5.0633 7.1252 7.1252 7.5225 7.5225 7.7031 7.7031 8.0086 8.0086 9.0026 9.0026 12.4891 12.4891 16.8948 16.8948 18.7852 18.7852 19.2227 19.2227 k = 0.7472-0.3366-0.7956 ( 1488 PWs) bands (ev): -10.1427 -10.1427 -9.5458 -9.5458 1.9195 1.9195 2.0896 2.0896 3.2823 3.2823 4.4133 4.4133 4.8383 4.8383 5.0485 5.0485 7.1205 7.1205 7.5088 7.5088 7.7088 7.7088 8.0180 8.0180 8.9709 8.9709 12.4211 12.4211 17.0316 17.0316 18.7296 18.7296 19.3237 19.3237 k = 0.7427-0.3282-0.7797 ( 1486 PWs) bands (ev): -10.1797 -10.1797 -9.5423 -9.5423 1.9429 1.9429 2.0975 2.0975 3.3190 3.3190 4.4433 4.4433 4.8636 4.8636 5.0359 5.0359 7.1165 7.1165 7.4934 7.4934 7.7150 7.7150 8.0274 8.0274 8.9356 8.9356 12.3603 12.3603 17.1653 17.1653 18.6713 18.6713 19.4250 19.4250 k = 0.7382-0.3198-0.7639 ( 1486 PWs) bands (ev): -10.2175 -10.2175 -9.5397 -9.5397 1.9688 1.9688 2.1074 2.1074 3.3539 3.3539 4.4725 4.4725 4.8901 4.8901 5.0255 5.0255 7.1130 7.1130 7.4761 7.4761 7.7217 7.7217 8.0368 8.0368 8.8967 8.8967 12.3066 12.3066 17.2941 17.2941 18.6117 18.6117 19.5255 19.5255 k = 0.7337-0.3114-0.7481 ( 1484 PWs) bands (ev): -10.2560 -10.2560 -9.5379 -9.5379 1.9969 1.9969 2.1194 2.1194 3.3869 3.3869 4.5008 4.5008 4.9177 4.9177 5.0177 5.0177 7.1100 7.1100 7.4571 7.4571 7.7288 7.7288 8.0461 8.0461 8.8546 8.8546 12.2600 12.2600 17.4155 17.4155 18.5534 18.5534 19.6237 19.6237 k = 0.7292-0.3030-0.7322 ( 1484 PWs) bands (ev): -10.2950 -10.2950 -9.5368 -9.5368 2.0271 2.0271 2.1337 2.1337 3.4180 3.4180 4.5279 4.5279 4.9464 4.9464 5.0128 5.0128 7.1075 7.1075 7.4363 7.4363 7.7362 7.7362 8.0555 8.0555 8.8095 8.8095 12.2201 12.2201 17.5252 17.5252 18.5008 18.5008 19.7171 19.7171 k = 0.7247-0.2946-0.7164 ( 1482 PWs) bands (ev): -10.3346 -10.3346 -9.5366 -9.5366 2.0591 2.0591 2.1501 2.1501 3.4472 3.4472 4.5540 4.5540 4.9752 4.9752 5.0115 5.0115 7.1055 7.1055 7.4138 7.4138 7.7441 7.7441 8.0648 8.0648 8.7618 8.7618 12.1866 12.1866 17.6164 17.6164 18.4604 18.4604 19.7983 19.7983 k = 0.7202-0.2862-0.7006 ( 1480 PWs) bands (ev): -10.3747 -10.3747 -9.5373 -9.5373 2.0927 2.0927 2.1688 2.1688 3.4747 3.4747 4.5788 4.5788 4.9990 4.9990 5.0193 5.0193 7.1038 7.1038 7.3895 7.3895 7.7523 7.7523 8.0742 8.0742 8.7120 8.7120 12.1593 12.1593 17.6797 17.6797 18.4418 18.4418 19.8285 19.8285 k = 0.7157-0.2778-0.6847 ( 1482 PWs) bands (ev): -10.4152 -10.4152 -9.5386 -9.5386 2.1276 2.1276 2.1897 2.1897 3.5006 3.5006 4.6025 4.6025 5.0083 5.0083 5.0454 5.0454 7.1022 7.1022 7.3636 7.3636 7.7609 7.7609 8.0834 8.0834 8.6605 8.6605 12.1377 12.1377 17.7059 17.7059 18.4537 18.4537 19.8558 19.8558 k = 0.7112-0.2694-0.6689 ( 1482 PWs) bands (ev): -10.4560 -10.4560 -9.5408 -9.5408 2.1633 2.1633 2.2128 2.2128 3.5251 3.5251 4.6249 4.6249 5.0153 5.0153 5.0775 5.0775 7.1006 7.1006 7.3361 7.3361 7.7698 7.7698 8.0925 8.0925 8.6077 8.6077 12.1214 12.1214 17.6932 17.6932 18.4979 18.4979 19.8914 19.8914 k = 0.7067-0.2610-0.6531 ( 1480 PWs) bands (ev): -10.4972 -10.4972 -9.5437 -9.5437 2.1996 2.1996 2.2382 2.2382 3.5486 3.5486 4.6462 4.6462 5.0243 5.0243 5.1112 5.1112 7.0988 7.0988 7.3074 7.3074 7.7792 7.7792 8.1017 8.1017 8.5543 8.5543 12.1100 12.1100 17.6484 17.6484 18.5673 18.5673 19.9358 19.9358 k = 0.7022-0.2526-0.6372 ( 1480 PWs) bands (ev): -10.5385 -10.5385 -9.5474 -9.5474 2.2360 2.2360 2.2657 2.2657 3.5717 3.5717 4.6665 4.6665 5.0356 5.0356 5.1457 5.1457 7.0960 7.0960 7.2780 7.2780 7.7887 7.7887 8.1106 8.1106 8.5006 8.5006 12.1031 12.1031 17.5814 17.5814 18.6518 18.6518 19.9332 19.9332 k = 0.6977-0.2442-0.6214 ( 1480 PWs) bands (ev): -10.5800 -10.5800 -9.5518 -9.5518 2.2721 2.2721 2.2953 2.2953 3.5946 3.5946 4.6858 4.6858 5.0493 5.0493 5.1808 5.1808 7.0914 7.0914 7.2489 7.2489 7.7984 7.7984 8.1195 8.1195 8.4473 8.4473 12.1003 12.1003 17.4999 17.4999 18.7436 18.7436 19.8816 19.8816 k = 0.6932-0.2358-0.6055 ( 1478 PWs) bands (ev): -10.6215 -10.6215 -9.5568 -9.5568 2.3073 2.3073 2.3269 2.3269 3.6181 3.6181 4.7043 4.7043 5.0652 5.0652 5.2161 5.2161 7.0832 7.0832 7.2217 7.2217 7.8084 7.8084 8.1281 8.1281 8.3949 8.3949 12.1011 12.1011 17.4088 17.4088 18.8375 18.8375 19.8127 19.8127 k = 0.6887-0.2274-0.5897 ( 1476 PWs) bands (ev): -10.6631 -10.6631 -9.5625 -9.5625 2.3413 2.3413 2.3605 2.3605 3.6427 3.6427 4.7220 4.7220 5.0832 5.0832 5.2515 5.2515 7.0690 7.0690 7.1990 7.1990 7.8186 7.8186 8.1364 8.1364 8.3438 8.3438 12.1052 12.1052 17.3111 17.3111 18.9309 18.9309 19.7320 19.7320 k = 0.6843-0.2190-0.5739 ( 1472 PWs) bands (ev): -10.7046 -10.7046 -9.5688 -9.5688 2.3734 2.3734 2.3960 2.3960 3.6690 3.6690 4.7390 4.7390 5.1031 5.1031 5.2869 5.2869 7.0465 7.0465 7.1830 7.1830 7.8289 7.8289 8.1440 8.1440 8.2948 8.2948 12.1123 12.1123 17.2089 17.2089 19.0221 19.0221 19.6432 19.6432 k = 0.6798-0.2106-0.5580 ( 1472 PWs) bands (ev): -10.7460 -10.7460 -9.5757 -9.5757 2.4032 2.4032 2.4332 2.4332 3.6977 3.6977 4.7555 4.7555 5.1246 5.1246 5.3222 5.3222 7.0156 7.0156 7.1738 7.1738 7.8392 7.8392 8.1500 8.1500 8.2490 8.2490 12.1218 12.1218 17.1033 17.1033 19.1106 19.1106 19.5487 19.5487 k = 0.6753-0.2022-0.5422 ( 1476 PWs) bands (ev): -10.7872 -10.7872 -9.5832 -9.5832 2.4303 2.4303 2.4720 2.4720 3.7292 3.7292 4.7715 4.7715 5.1474 5.1474 5.3570 5.3570 6.9782 6.9782 7.1698 7.1698 7.8492 7.8492 8.1506 8.1506 8.2107 8.2107 12.1336 12.1336 16.9952 16.9952 19.1963 19.1963 19.4502 19.4502 k = 0.6708-0.1938-0.5264 ( 1474 PWs) bands (ev): -10.8282 -10.8282 -9.5911 -9.5911 2.4542 2.4542 2.5124 2.5124 3.7642 3.7642 4.7872 4.7872 5.1714 5.1714 5.3915 5.3915 6.9363 6.9363 7.1692 7.1692 7.8590 7.8590 8.1338 8.1338 8.1921 8.1921 12.1474 12.1474 16.8852 16.8852 19.2793 19.2793 19.3492 19.3492 k = 0.6663-0.1854-0.5105 ( 1476 PWs) bands (ev): -10.8689 -10.8689 -9.5995 -9.5995 2.4748 2.4748 2.5541 2.5541 3.8030 3.8030 4.8026 4.8026 5.1963 5.1963 5.4253 5.4253 6.8911 6.8911 7.1707 7.1707 7.8681 7.8681 8.1013 8.1013 8.1922 8.1922 12.1628 12.1628 16.7737 16.7737 19.2453 19.2453 19.3612 19.3612 k = 0.6618-0.1770-0.4947 ( 1472 PWs) bands (ev): -10.9092 -10.9092 -9.6084 -9.6084 2.4916 2.4916 2.5970 2.5970 3.8458 3.8458 4.8179 4.8179 5.2219 5.2219 5.4585 5.4585 6.8438 6.8438 7.1737 7.1737 7.8759 7.8759 8.0669 8.0669 8.1978 8.1978 12.1797 12.1797 16.6612 16.6612 19.1408 19.1408 19.4409 19.4409 k = 0.6573-0.1686-0.4789 ( 1470 PWs) bands (ev): -10.9490 -10.9490 -9.6177 -9.6177 2.5049 2.5049 2.6409 2.6409 3.8928 3.8928 4.8331 4.8331 5.2480 5.2480 5.4909 5.4909 6.7949 6.7949 7.1776 7.1776 7.8811 7.8811 8.0359 8.0359 8.2047 8.2047 12.1977 12.1977 16.5479 16.5479 19.0352 19.0352 19.5199 19.5199 k = 0.6528-0.1602-0.4630 ( 1470 PWs) bands (ev): -10.9884 -10.9884 -9.6273 -9.6273 2.5144 2.5144 2.6857 2.6857 3.9441 3.9441 4.8483 4.8483 5.2744 5.2744 5.5225 5.5225 6.7449 6.7449 7.1822 7.1822 7.8816 7.8816 8.0112 8.0112 8.2121 8.2121 12.2167 12.2167 16.4341 16.4341 18.9289 18.9289 19.5986 19.5986 k = 0.6483-0.1518-0.4472 ( 1466 PWs) bands (ev): -11.0273 -11.0273 -9.6372 -9.6372 2.5205 2.5205 2.7312 2.7312 3.9995 3.9995 4.8637 4.8637 5.3010 5.3010 5.5531 5.5531 6.6943 6.6943 7.1875 7.1875 7.8747 7.8747 7.9958 7.9958 8.2196 8.2196 12.2365 12.2365 16.3199 16.3199 18.8224 18.8224 19.6773 19.6773 k = 0.6438-0.1434-0.4314 ( 1464 PWs) bands (ev): -11.0656 -11.0656 -9.6474 -9.6474 2.5233 2.5233 2.7771 2.7771 4.0587 4.0587 4.8793 4.8793 5.3277 5.3277 5.5826 5.5826 6.6434 6.6434 7.1931 7.1931 7.8598 7.8598 7.9905 7.9905 8.2272 8.2272 12.2569 12.2569 16.2055 16.2055 18.7158 18.7158 19.7564 19.7564 k = 0.6393-0.1350-0.4155 ( 1464 PWs) bands (ev): -11.1032 -11.1032 -9.6577 -9.6577 2.5231 2.5231 2.8232 2.8232 4.1216 4.1216 4.8952 4.8952 5.3541 5.3541 5.6111 5.6111 6.5927 6.5927 7.1989 7.1989 7.8392 7.8392 7.9927 7.9927 8.2347 8.2347 12.2777 12.2777 16.0912 16.0912 18.6094 18.6094 19.8360 19.8360 k = 0.6348-0.1266-0.3997 ( 1462 PWs) bands (ev): -11.1401 -11.1401 -9.6683 -9.6683 2.5202 2.5202 2.8694 2.8694 4.1877 4.1877 4.9116 4.9116 5.3804 5.3804 5.6384 5.6384 6.5423 6.5423 7.2050 7.2050 7.8159 7.8159 7.9996 7.9996 8.2421 8.2421 12.2989 12.2989 15.9770 15.9770 18.5032 18.5032 19.9165 19.9165 k = 0.6303-0.1182-0.3838 ( 1462 PWs) bands (ev): -11.1763 -11.1763 -9.6790 -9.6790 2.5148 2.5148 2.9154 2.9154 4.2567 4.2567 4.9285 4.9285 5.4063 5.4063 5.6644 5.6644 6.4927 6.4927 7.2112 7.2112 7.7919 7.7919 8.0090 8.0090 8.2494 8.2494 12.3202 12.3202 15.8632 15.8632 18.3976 18.3976 19.9978 19.9978 k = 0.6258-0.1098-0.3680 ( 1462 PWs) bands (ev): -11.2117 -11.2117 -9.6898 -9.6898 2.5074 2.5074 2.9610 2.9610 4.3282 4.3282 4.9461 4.9461 5.4319 5.4319 5.6891 5.6891 6.4440 6.4440 7.2176 7.2176 7.7680 7.7680 8.0199 8.0199 8.2565 8.2565 12.3415 12.3415 15.7500 15.7500 18.2927 18.2927 20.0799 20.0799 k = 0.6213-0.1014-0.3522 ( 1462 PWs) bands (ev): -11.2462 -11.2462 -9.7007 -9.7007 2.4983 2.4983 3.0059 3.0059 4.4018 4.4018 4.9643 4.9643 5.4569 5.4569 5.7123 5.7123 6.3967 6.3967 7.2239 7.2239 7.7449 7.7449 8.0317 8.0317 8.2635 8.2635 12.3628 12.3628 15.6374 15.6374 18.1886 18.1886 20.1628 20.1628 k = 0.6168-0.0930-0.3363 ( 1458 PWs) bands (ev): -11.2799 -11.2799 -9.7115 -9.7115 2.4877 2.4877 3.0499 3.0499 4.4770 4.4770 4.9834 4.9834 5.4815 5.4815 5.7340 5.7340 6.3510 6.3510 7.2303 7.2303 7.7230 7.7230 8.0441 8.0441 8.2703 8.2703 12.3839 12.3839 15.5256 15.5256 18.0856 18.0856 20.2464 20.2464 k = 0.6123-0.0846-0.3205 ( 1454 PWs) bands (ev): -11.3126 -11.3126 -9.7223 -9.7223 2.4759 2.4759 3.0928 3.0928 4.5534 4.5534 5.0034 5.0034 5.5055 5.5055 5.7540 5.7540 6.3071 6.3071 7.2366 7.2366 7.7020 7.7020 8.0568 8.0568 8.2769 8.2769 12.4047 12.4047 15.4149 15.4149 17.9838 17.9838 20.3303 20.3303 k = 0.6079-0.0762-0.3047 ( 1454 PWs) bands (ev): -11.3444 -11.3444 -9.7331 -9.7331 2.4632 2.4632 3.1344 3.1344 4.6306 4.6306 5.0243 5.0243 5.5290 5.5290 5.7722 5.7722 6.2654 6.2654 7.2427 7.2427 7.6822 7.6822 8.0699 8.0699 8.2834 8.2834 12.4252 12.4252 15.3053 15.3053 17.8834 17.8834 20.4142 20.4142 k = 0.6034-0.0678-0.2888 ( 1450 PWs) bands (ev): -11.3751 -11.3751 -9.7437 -9.7437 2.4497 2.4497 3.1744 3.1744 4.7082 4.7082 5.0463 5.0463 5.5519 5.5519 5.7883 5.7883 6.2262 6.2262 7.2487 7.2487 7.6636 7.6636 8.0830 8.0830 8.2897 8.2897 12.4453 12.4453 15.1970 15.1970 17.7846 17.7846 20.4979 20.4979 k = 0.5989-0.0594-0.2730 ( 1454 PWs) bands (ev): -11.4049 -11.4049 -9.7542 -9.7542 2.4358 2.4358 3.2128 3.2128 4.7857 4.7857 5.0692 5.0692 5.5743 5.5743 5.8021 5.8021 6.1898 6.1898 7.2543 7.2543 7.6462 7.6462 8.0962 8.0962 8.2958 8.2958 12.4648 12.4648 15.0903 15.0903 17.6876 17.6876 20.5807 20.5807 k = 0.5944-0.0510-0.2572 ( 1454 PWs) bands (ev): -11.4335 -11.4335 -9.7644 -9.7644 2.4215 2.4215 3.2493 3.2493 4.8627 4.8627 5.0932 5.0932 5.5962 5.5962 5.8133 5.8133 6.1567 6.1567 7.2596 7.2596 7.6299 7.6299 8.1095 8.1095 8.3017 8.3017 12.4838 12.4838 14.9854 14.9854 17.5926 17.5926 20.6622 20.6622 k = 0.5899-0.0426-0.2413 ( 1458 PWs) bands (ev): -11.4610 -11.4610 -9.7745 -9.7745 2.4071 2.4071 3.2838 3.2838 4.9387 4.9387 5.1183 5.1183 5.6176 5.6176 5.8214 5.8214 6.1274 6.1274 7.2646 7.2646 7.6149 7.6149 8.1226 8.1226 8.3074 8.3074 12.5022 12.5022 14.8825 14.8825 17.4998 17.4998 20.7416 20.7416 k = 0.5854-0.0342-0.2255 ( 1458 PWs) bands (ev): -11.4874 -11.4874 -9.7843 -9.7843 2.3927 2.3927 3.3162 3.3162 5.0131 5.0131 5.1444 5.1444 5.6387 5.6387 5.8260 5.8260 6.1023 6.1023 7.2692 7.2692 7.6011 7.6011 8.1358 8.1358 8.3130 8.3130 12.5199 12.5199 14.7818 14.7818 17.4094 17.4094 20.8184 20.8184 k = 0.5809-0.0258-0.2096 ( 1464 PWs) bands (ev): -11.5126 -11.5126 -9.7938 -9.7938 2.3784 2.3784 3.3463 3.3463 5.0854 5.0854 5.1715 5.1715 5.6596 5.6596 5.8268 5.8268 6.0819 6.0819 7.2733 7.2733 7.5884 7.5884 8.1487 8.1487 8.3184 8.3184 12.5369 12.5369 14.6835 14.6835 17.3217 17.3217 20.8916 20.8916 k = 0.5764-0.0174-0.1938 ( 1462 PWs) bands (ev): -11.5366 -11.5366 -9.8030 -9.8030 2.3643 2.3643 3.3743 3.3743 5.1546 5.1546 5.2000 5.2000 5.6803 5.6803 5.8237 5.8237 6.0663 6.0663 7.2770 7.2770 7.5770 7.5770 8.1614 8.1614 8.3237 8.3237 12.5532 12.5532 14.5879 14.5879 17.2369 17.2369 20.9607 20.9607 k = 0.5719-0.0090-0.1780 ( 1462 PWs) bands (ev): -11.5594 -11.5594 -9.8118 -9.8118 2.3506 2.3506 3.4000 3.4000 5.2156 5.2156 5.2342 5.2342 5.7011 5.7011 5.8172 5.8172 6.0553 6.0553 7.2801 7.2801 7.5669 7.5669 8.1739 8.1739 8.3289 8.3289 12.5686 12.5686 14.4954 14.4954 17.1552 17.1552 21.0249 21.0249 k = 0.5674-0.0006-0.1621 ( 1462 PWs) bands (ev): -11.5809 -11.5809 -9.8202 -9.8202 2.3373 2.3373 3.4235 3.4235 5.2523 5.2523 5.2894 5.2894 5.7217 5.7217 5.8082 5.8082 6.0482 6.0482 7.2828 7.2828 7.5578 7.5578 8.1860 8.1860 8.3340 8.3340 12.5833 12.5833 14.4061 14.4061 17.0768 17.0768 21.0837 21.0837 k = 0.5629 0.0078-0.1463 ( 1466 PWs) bands (ev): -11.6012 -11.6012 -9.8282 -9.8282 2.3246 2.3246 3.4448 3.4448 5.2821 5.2821 5.3472 5.3472 5.7412 5.7412 5.7989 5.7989 6.0442 6.0442 7.2849 7.2849 7.5498 7.5498 8.1976 8.1976 8.3390 8.3390 12.5971 12.5971 14.3204 14.3204 17.0020 17.0020 21.1368 21.1368 k = 0.5584 0.0162-0.1305 ( 1466 PWs) bands (ev): -11.6201 -11.6201 -9.8358 -9.8358 2.3124 2.3124 3.4640 3.4640 5.3112 5.3112 5.4008 5.4008 5.7549 5.7549 5.7953 5.7953 6.0424 6.0424 7.2865 7.2865 7.5429 7.5429 8.2088 8.2088 8.3439 8.3439 12.6100 12.6100 14.2386 14.2386 16.9311 16.9311 21.1840 21.1840 k = 0.5539 0.0246-0.1146 ( 1466 PWs) bands (ev): -11.6377 -11.6377 -9.8429 -9.8429 2.3009 2.3009 3.4811 3.4811 5.3398 5.3398 5.4490 5.4490 5.7535 5.7535 5.8076 5.8076 6.0420 6.0420 7.2877 7.2877 7.5369 7.5369 8.2193 8.2193 8.3488 8.3488 12.6220 12.6220 14.1611 14.1611 16.8643 16.8643 21.2255 21.2255 k = 0.5494 0.0330-0.0988 ( 1462 PWs) bands (ev): -11.6540 -11.6540 -9.8495 -9.8495 2.2901 2.2901 3.4963 3.4963 5.3677 5.3677 5.4913 5.4913 5.7433 5.7433 5.8301 5.8301 6.0424 6.0424 7.2886 7.2886 7.5320 7.5320 8.2292 8.2292 8.3536 8.3536 12.6331 12.6331 14.0880 14.0880 16.8018 16.8018 21.2615 21.2615 k = 0.5449 0.0414-0.0830 ( 1458 PWs) bands (ev): -11.6689 -11.6689 -9.8556 -9.8556 2.2802 2.2802 3.5097 3.5097 5.3947 5.3947 5.5277 5.5277 5.7312 5.7312 5.8562 5.8562 6.0433 6.0433 7.2890 7.2890 7.5279 7.5279 8.2384 8.2384 8.3583 8.3583 12.6433 12.6433 14.0199 14.0199 16.7438 16.7438 21.2924 21.2924 k = 0.5404 0.0498-0.0671 ( 1458 PWs) bands (ev): -11.6824 -11.6824 -9.8612 -9.8612 2.2710 2.2710 3.5213 3.5213 5.4205 5.4205 5.5583 5.5583 5.7191 5.7191 5.8836 5.8836 6.0443 6.0443 7.2891 7.2891 7.5245 7.5245 8.2468 8.2468 8.3630 8.3630 12.6525 12.6525 13.9570 13.9570 16.6907 16.6907 21.3187 21.3187 k = 0.5360 0.0582-0.0513 ( 1464 PWs) bands (ev): -11.6946 -11.6946 -9.8663 -9.8663 2.2627 2.2627 3.5313 3.5313 5.4447 5.4447 5.5835 5.5835 5.7078 5.7078 5.9110 5.9110 6.0454 6.0454 7.2889 7.2889 7.5217 7.5217 8.2542 8.2542 8.3674 8.3674 12.6607 12.6607 13.8996 13.8996 16.6424 16.6424 21.3409 21.3409 k = 0.5315 0.0666-0.0354 ( 1466 PWs) bands (ev): -11.7053 -11.7053 -9.8708 -9.8708 2.2553 2.2553 3.5399 3.5399 5.4672 5.4672 5.6040 5.6040 5.6976 5.6976 5.9373 5.9373 6.0465 6.0465 7.2885 7.2885 7.5195 7.5195 8.2608 8.2608 8.3717 8.3717 12.6680 12.6680 13.8481 13.8481 16.5994 16.5994 21.3594 21.3594 k = 0.5270 0.0749-0.0196 ( 1460 PWs) bands (ev): -11.7147 -11.7147 -9.8747 -9.8747 2.2488 2.2488 3.5470 3.5470 5.4876 5.4876 5.6203 5.6203 5.6887 5.6887 5.9616 5.9616 6.0478 6.0478 7.2881 7.2881 7.5179 7.5179 8.2666 8.2666 8.3758 8.3758 12.6744 12.6744 13.8027 13.8027 16.5617 16.5617 21.3746 21.3746 k = 0.5225 0.0833-0.0038 ( 1462 PWs) bands (ev): -11.7226 -11.7226 -9.8780 -9.8780 2.2433 2.2433 3.5529 3.5529 5.5055 5.5055 5.6328 5.6328 5.6814 5.6814 5.9827 5.9827 6.0494 6.0494 7.2876 7.2876 7.5166 7.5166 8.2713 8.2713 8.3794 8.3794 12.6797 12.6797 13.7639 13.7639 16.5295 16.5295 21.3868 21.3868 k = 0.5180 0.0917 0.0121 ( 1464 PWs) bands (ev): -11.7291 -11.7291 -9.8808 -9.8808 2.2387 2.2387 3.5576 3.5576 5.5206 5.5206 5.6417 5.6417 5.6761 5.6761 5.9997 5.9997 6.0517 6.0517 7.2871 7.2871 7.5156 7.5156 8.2751 8.2751 8.3825 8.3825 12.6841 12.6841 13.7317 13.7317 16.5030 16.5030 21.3965 21.3965 k = 0.5135 0.1001 0.0279 ( 1466 PWs) bands (ev): -11.7342 -11.7342 -9.8829 -9.8829 2.2352 2.2352 3.5611 3.5611 5.5328 5.5328 5.6471 5.6471 5.6730 5.6730 6.0119 6.0119 6.0549 6.0549 7.2866 7.2866 7.5149 7.5149 8.2781 8.2781 8.3851 8.3851 12.6875 12.6875 13.7064 13.7064 16.4823 16.4823 21.4038 21.4038 k = 0.5090 0.1085 0.0437 ( 1464 PWs) bands (ev): -11.7378 -11.7378 -9.8845 -9.8845 2.2326 2.2326 3.5636 3.5636 5.5417 5.5417 5.6493 5.6493 5.6722 5.6722 6.0194 6.0194 6.0587 6.0587 7.2863 7.2863 7.5145 7.5145 8.2802 8.2802 8.3870 8.3870 12.6900 12.6900 13.6882 13.6882 16.4674 16.4674 21.4088 21.4088 k = 0.5045 0.1169 0.0596 ( 1464 PWs) bands (ev): -11.7399 -11.7399 -9.8854 -9.8854 2.2311 2.2311 3.5651 3.5651 5.5472 5.5472 5.6497 5.6497 5.6725 5.6725 6.0232 6.0232 6.0617 6.0617 7.2861 7.2861 7.5142 7.5142 8.2815 8.2815 8.3882 8.3882 12.6914 12.6914 13.6772 13.6772 16.4584 16.4584 21.4118 21.4118 k = 0.5000 0.1253 0.0754 ( 1464 PWs) bands (ev): -11.7407 -11.7407 -9.8857 -9.8857 2.2306 2.2306 3.5656 3.5656 5.5490 5.5490 5.6497 5.6497 5.6727 5.6727 6.0243 6.0243 6.0629 6.0629 7.2860 7.2860 7.5141 7.5141 8.2819 8.2819 8.3886 8.3886 12.6919 12.6919 13.6736 13.6736 16.4554 16.4554 21.4128 21.4128 k = 0.5000 0.1253 0.0754 ( 1464 PWs) bands (ev): -11.7407 -11.7407 -9.8857 -9.8857 2.2306 2.2306 3.5656 3.5656 5.5490 5.5490 5.6497 5.6497 5.6727 5.6727 6.0243 6.0243 6.0629 6.0629 7.2860 7.2860 7.5141 7.5141 8.2819 8.2819 8.3886 8.3886 12.6919 12.6919 13.6736 13.6736 16.4554 16.4554 21.4128 21.4128 k = 0.4821 0.1209 0.0727 ( 1464 PWs) bands (ev): -11.7410 -11.7410 -9.8851 -9.8851 2.2224 2.2224 3.5751 3.5751 5.5489 5.5489 5.6478 5.6478 5.6708 5.6708 6.0269 6.0269 6.0654 6.0654 7.2860 7.2860 7.5141 7.5141 8.2813 8.2813 8.3880 8.3880 12.6802 12.6802 13.6857 13.6857 16.4546 16.4546 21.4120 21.4120 k = 0.4643 0.1164 0.0700 ( 1464 PWs) bands (ev): -11.7420 -11.7420 -9.8834 -9.8834 2.1986 2.1986 3.6029 3.6029 5.5486 5.5486 5.6423 5.6423 5.6651 5.6651 6.0344 6.0344 6.0726 6.0726 7.2860 7.2860 7.5141 7.5141 8.2794 8.2794 8.3862 8.3862 12.6465 12.6465 13.7203 13.7203 16.4523 16.4523 21.4095 21.4095 k = 0.4464 0.1119 0.0673 ( 1464 PWs) bands (ev): -11.7436 -11.7436 -9.8806 -9.8806 2.1610 2.1610 3.6470 3.6470 5.5480 5.5480 5.6338 5.6338 5.6562 5.6562 6.0463 6.0463 6.0842 6.0842 7.2859 7.2859 7.5141 7.5141 8.2763 8.2763 8.3833 8.3833 12.5950 12.5950 13.7733 13.7733 16.4485 16.4485 21.4053 21.4053 k = 0.4286 0.1074 0.0646 ( 1464 PWs) bands (ev): -11.7458 -11.7458 -9.8767 -9.8767 2.1124 2.1124 3.7046 3.7046 5.5469 5.5469 5.6229 5.6229 5.6446 5.6446 6.0621 6.0621 6.0995 6.0995 7.2859 7.2859 7.5142 7.5142 8.2720 8.2720 8.3792 8.3792 12.5303 12.5303 13.8401 13.8401 16.4432 16.4432 21.3993 21.3993 k = 0.4107 0.1030 0.0619 ( 1467 PWs) bands (ev): -11.7485 -11.7485 -9.8717 -9.8717 2.0555 2.0555 3.7732 3.7732 5.5452 5.5452 5.6106 5.6106 5.6308 5.6308 6.0809 6.0809 6.1178 6.1178 7.2857 7.2857 7.5141 7.5141 8.2666 8.2666 8.3740 8.3740 12.4565 12.4565 13.9165 13.9165 16.4367 16.4367 21.3914 21.3914 k = 0.3929 0.0985 0.0592 ( 1461 PWs) bands (ev): -11.7518 -11.7518 -9.8658 -9.8658 1.9926 1.9926 3.8500 3.8500 5.5423 5.5423 5.5980 5.5980 5.6156 5.6156 6.1022 6.1022 6.1387 6.1387 7.2857 7.2857 7.5142 7.5142 8.2601 8.2601 8.3678 8.3678 12.3765 12.3765 13.9995 13.9995 16.4291 16.4291 21.3817 21.3817 k = 0.3750 0.0940 0.0566 ( 1464 PWs) bands (ev): -11.7556 -11.7556 -9.8591 -9.8591 1.9258 1.9258 3.9331 3.9331 5.5375 5.5375 5.5863 5.5863 5.5995 5.5995 6.1253 6.1253 6.1614 6.1614 7.2855 7.2855 7.5142 7.5142 8.2525 8.2525 8.3606 8.3606 12.2926 12.2926 14.0866 14.0866 16.4205 16.4205 21.3699 21.3699 k = 0.3571 0.0895 0.0539 ( 1458 PWs) bands (ev): -11.7598 -11.7598 -9.8515 -9.8515 1.8568 1.8568 4.0206 4.0206 5.5299 5.5299 5.5770 5.5770 5.5827 5.5827 6.1499 6.1499 6.1855 6.1855 7.2854 7.2854 7.5142 7.5142 8.2440 8.2440 8.3525 8.3525 12.2065 12.2065 14.1762 14.1762 16.4113 16.4113 21.3561 21.3561 k = 0.3393 0.0851 0.0512 ( 1457 PWs) bands (ev): -11.7643 -11.7643 -9.8433 -9.8433 1.7868 1.7868 4.1111 4.1111 5.5191 5.5191 5.5657 5.5657 5.5705 5.5705 6.1756 6.1756 6.2106 6.2106 7.2852 7.2852 7.5142 7.5142 8.2346 8.2346 8.3435 8.3435 12.1195 12.1195 14.2669 14.2669 16.4016 16.4016 21.3401 21.3401 k = 0.3214 0.0806 0.0485 ( 1457 PWs) bands (ev): -11.7692 -11.7692 -9.8345 -9.8345 1.7169 1.7169 4.2035 4.2035 5.5060 5.5060 5.5487 5.5487 5.5664 5.5664 6.2019 6.2019 6.2364 6.2364 7.2850 7.2850 7.5142 7.5142 8.2243 8.2243 8.3337 8.3337 12.0323 12.0323 14.3576 14.3576 16.3916 16.3916 21.3220 21.3220 k = 0.3036 0.0761 0.0458 ( 1457 PWs) bands (ev): -11.7743 -11.7743 -9.8252 -9.8252 1.6479 1.6479 4.2966 4.2966 5.4916 5.4916 5.5320 5.5320 5.5637 5.5637 6.2285 6.2285 6.2626 6.2626 7.2848 7.2848 7.5142 7.5142 8.2132 8.2132 8.3233 8.3233 11.9457 11.9457 14.4475 14.4475 16.3818 16.3818 21.3016 21.3016 k = 0.2857 0.0716 0.0431 ( 1463 PWs) bands (ev): -11.7795 -11.7795 -9.8157 -9.8157 1.5804 1.5804 4.3896 4.3896 5.4767 5.4767 5.5157 5.5157 5.5617 5.5617 6.2553 6.2553 6.2890 6.2890 7.2846 7.2846 7.5142 7.5142 8.2015 8.2015 8.3122 8.3122 11.8603 11.8603 14.5358 14.5358 16.3723 16.3723 21.2791 21.2791 k = 0.2679 0.0672 0.0404 ( 1463 PWs) bands (ev): -11.7849 -11.7849 -9.8058 -9.8058 1.5151 1.5151 4.4818 4.4818 5.4620 5.4620 5.4999 5.4999 5.5602 5.5602 6.2820 6.2820 6.3152 6.3152 7.2843 7.2843 7.5142 7.5142 8.1894 8.1894 8.3007 8.3007 11.7768 11.7768 14.6217 14.6217 16.3636 16.3636 21.2546 21.2546 k = 0.2500 0.0627 0.0377 ( 1463 PWs) bands (ev): -11.7902 -11.7902 -9.7959 -9.7959 1.4524 1.4524 4.5725 4.5725 5.4476 5.4476 5.4848 5.4848 5.5588 5.5588 6.3084 6.3084 6.3410 6.3410 7.2840 7.2840 7.5142 7.5142 8.1769 8.1769 8.2890 8.2890 11.6956 11.6956 14.7045 14.7045 16.3558 16.3558 21.2282 21.2282 k = 0.2321 0.0582 0.0350 ( 1451 PWs) bands (ev): -11.7955 -11.7955 -9.7861 -9.7861 1.3926 1.3926 4.6609 4.6609 5.4338 5.4338 5.4705 5.4705 5.5575 5.5575 6.3342 6.3342 6.3664 6.3664 7.2839 7.2839 7.5143 7.5143 8.1643 8.1643 8.2771 8.2771 11.6172 11.6172 14.7836 14.7836 16.3493 16.3493 21.2002 21.2002 k = 0.2143 0.0537 0.0323 ( 1451 PWs) bands (ev): -11.8007 -11.8007 -9.7764 -9.7764 1.3361 1.3361 4.7464 4.7464 5.4207 5.4207 5.4570 5.4570 5.5559 5.5559 6.3592 6.3592 6.3909 6.3909 7.2835 7.2835 7.5143 7.5143 8.1515 8.1515 8.2652 8.2652 11.5420 11.5420 14.8584 14.8584 16.3442 16.3442 21.1709 21.1709 k = 0.1964 0.0492 0.0296 ( 1451 PWs) bands (ev): -11.8057 -11.8057 -9.7669 -9.7669 1.2833 1.2833 4.8285 4.8285 5.4085 5.4085 5.4443 5.4443 5.5542 5.5542 6.3833 6.3833 6.4145 6.4145 7.2832 7.2832 7.5142 7.5142 8.1388 8.1388 8.2533 8.2533 11.4705 11.4705 14.9282 14.9282 16.3409 16.3409 21.1407 21.1407 k = 0.1786 0.0448 0.0269 ( 1451 PWs) bands (ev): -11.8105 -11.8105 -9.7579 -9.7579 1.2342 1.2342 4.9066 4.9066 5.3972 5.3972 5.4327 5.4327 5.5521 5.5521 6.4062 6.4062 6.4369 6.4369 7.2829 7.2829 7.5142 7.5142 8.1264 8.1264 8.2418 8.2418 11.4032 11.4032 14.9927 14.9927 16.3393 16.3393 21.1101 21.1101 k = 0.1607 0.0403 0.0242 ( 1463 PWs) bands (ev): -11.8150 -11.8150 -9.7494 -9.7494 1.1892 1.1892 4.9801 4.9801 5.3869 5.3869 5.4219 5.4219 5.5495 5.5495 6.4276 6.4276 6.4579 6.4579 7.2824 7.2824 7.5141 7.5141 8.1144 8.1144 8.2306 8.2306 11.3404 11.3404 15.0512 15.0512 16.3396 16.3396 21.0796 21.0796 k = 0.1429 0.0358 0.0215 ( 1463 PWs) bands (ev): -11.8192 -11.8192 -9.7414 -9.7414 1.1485 1.1485 5.0484 5.0484 5.3778 5.3778 5.4123 5.4123 5.5464 5.5464 6.4475 6.4475 6.4773 6.4773 7.2820 7.2820 7.5140 7.5140 8.1031 8.1031 8.2201 8.2201 11.2828 11.2828 15.1035 15.1035 16.3416 16.3416 21.0499 21.0499 k = 0.1250 0.0313 0.0189 ( 1463 PWs) bands (ev): -11.8230 -11.8230 -9.7342 -9.7342 1.1122 1.1122 5.1111 5.1111 5.3699 5.3699 5.4037 5.4037 5.5427 5.5427 6.4656 6.4656 6.4950 6.4950 7.2817 7.2817 7.5140 7.5140 8.0926 8.0926 8.2104 8.2104 11.2306 11.2306 15.1494 15.1494 16.3450 16.3450 21.0216 21.0216 k = 0.1071 0.0269 0.0162 ( 1463 PWs) bands (ev): -11.8264 -11.8264 -9.7277 -9.7277 1.0804 1.0804 5.1675 5.1675 5.3634 5.3634 5.3962 5.3962 5.5383 5.5383 6.4818 6.4818 6.5108 6.5108 7.2814 7.2814 7.5140 7.5140 8.0830 8.0830 8.2016 8.2016 11.1844 11.1844 15.1888 15.1888 16.3495 16.3495 20.9954 20.9954 k = 0.0893 0.0224 0.0135 ( 1469 PWs) bands (ev): -11.8293 -11.8293 -9.7221 -9.7221 1.0534 1.0534 5.2169 5.2169 5.3586 5.3586 5.3898 5.3898 5.5330 5.5330 6.4958 6.4958 6.5245 6.5245 7.2811 7.2811 7.5139 7.5139 8.0746 8.0746 8.1938 8.1938 11.1444 11.1444 15.2217 15.2217 16.3547 16.3547 20.9718 20.9718 k = 0.0714 0.0179 0.0108 ( 1460 PWs) bands (ev): -11.8317 -11.8317 -9.7175 -9.7175 1.0311 1.0311 5.2581 5.2581 5.3563 5.3563 5.3846 5.3846 5.5270 5.5270 6.5076 6.5076 6.5359 6.5359 7.2809 7.2809 7.5140 7.5140 8.0675 8.0675 8.1874 8.1874 11.1112 11.1112 15.2483 15.2483 16.3600 16.3600 20.9516 20.9516 k = 0.0536 0.0134 0.0081 ( 1463 PWs) bands (ev): -11.8336 -11.8336 -9.7138 -9.7138 1.0136 1.0136 5.2891 5.2891 5.3578 5.3578 5.3805 5.3805 5.5205 5.5205 6.5168 6.5168 6.5449 6.5449 7.2807 7.2807 7.5139 7.5139 8.0618 8.0618 8.1821 8.1821 11.0850 11.0850 15.2686 15.2686 16.3648 16.3648 20.9353 20.9353 k = 0.0357 0.0090 0.0054 ( 1457 PWs) bands (ev): -11.8350 -11.8350 -9.7111 -9.7111 1.0012 1.0012 5.3079 5.3079 5.3643 5.3643 5.3776 5.3776 5.5142 5.5142 6.5235 6.5235 6.5515 6.5515 7.2805 7.2805 7.5139 7.5139 8.0577 8.0577 8.1784 8.1784 11.0662 11.0662 15.2830 15.2830 16.3688 16.3688 20.9232 20.9232 k = 0.0179 0.0045 0.0027 ( 1457 PWs) bands (ev): -11.8358 -11.8358 -9.7095 -9.7095 0.9936 0.9936 5.3158 5.3158 5.3728 5.3728 5.3758 5.3758 5.5092 5.5092 6.5276 6.5276 6.5554 6.5554 7.2804 7.2804 7.5139 7.5139 8.0552 8.0552 8.1761 8.1761 11.0548 11.0548 15.2915 15.2915 16.3713 16.3713 20.9159 20.9159 k = 0.0000 0.0000 0.0000 ( 1457 PWs) bands (ev): -11.8361 -11.8361 -9.7090 -9.7090 0.9911 0.9911 5.3178 5.3178 5.3753 5.3753 5.3766 5.3766 5.5072 5.5072 6.5290 6.5290 6.5567 6.5567 7.2804 7.2804 7.5139 7.5139 8.0543 8.0543 8.1753 8.1753 11.0510 11.0510 15.2944 15.2944 16.3722 16.3722 20.9134 20.9134 k = 0.0000 0.0000 0.0000 ( 1457 PWs) bands (ev): -11.8361 -11.8361 -9.7090 -9.7090 0.9911 0.9911 5.3178 5.3178 5.3753 5.3753 5.3766 5.3766 5.5072 5.5072 6.5290 6.5290 6.5567 6.5567 7.2804 7.2804 7.5139 7.5139 8.0543 8.0543 8.1753 8.1753 11.0510 11.0510 15.2944 15.2944 16.3722 16.3722 20.9134 20.9134 k = 0.0045-0.0085-0.0160 ( 1457 PWs) bands (ev): -11.8354 -11.8354 -9.7087 -9.7087 0.9919 0.9919 5.3128 5.3128 5.3631 5.3631 5.3757 5.3757 5.5219 5.5219 6.5278 6.5278 6.5556 6.5556 7.2805 7.2805 7.5140 7.5140 8.0541 8.0541 8.1751 8.1751 11.0523 11.0523 15.2970 15.2970 16.3741 16.3741 20.9136 20.9136 k = 0.0091-0.0170-0.0320 ( 1455 PWs) bands (ev): -11.8332 -11.8332 -9.7078 -9.7078 0.9941 0.9941 5.2908 5.2908 5.3444 5.3444 5.3741 5.3741 5.5540 5.5540 6.5242 6.5242 6.5524 6.5524 7.2808 7.2808 7.5144 7.5144 8.0534 8.0534 8.1744 8.1744 11.0564 11.0564 15.3050 15.3050 16.3799 16.3799 20.9142 20.9142 k = 0.0136-0.0255-0.0480 ( 1455 PWs) bands (ev): -11.8295 -11.8295 -9.7063 -9.7063 0.9977 0.9977 5.2487 5.2487 5.3346 5.3346 5.3718 5.3718 5.5913 5.5913 6.5177 6.5177 6.5479 6.5479 7.2813 7.2813 7.5149 7.5149 8.0523 8.0523 8.1732 8.1732 11.0631 11.0631 15.3183 15.3183 16.3896 16.3896 20.9151 20.9151 k = 0.0182-0.0339-0.0640 ( 1457 PWs) bands (ev): -11.8244 -11.8244 -9.7043 -9.7043 1.0028 1.0028 5.1967 5.1967 5.3278 5.3278 5.3690 5.3690 5.6292 5.6292 6.5078 6.5078 6.5426 6.5426 7.2820 7.2820 7.5157 7.5157 8.0507 8.0507 8.1716 8.1716 11.0724 11.0724 15.3369 15.3369 16.4031 16.4031 20.9164 20.9164 k = 0.0227-0.0424-0.0800 ( 1457 PWs) bands (ev): -11.8177 -11.8177 -9.7016 -9.7016 1.0094 1.0094 5.1395 5.1395 5.3202 5.3202 5.3661 5.3661 5.6661 5.6661 6.4946 6.4946 6.5371 6.5371 7.2828 7.2828 7.5169 7.5169 8.0485 8.0485 8.1696 8.1696 11.0841 11.0841 15.3605 15.3605 16.4202 16.4202 20.9180 20.9180 k = 0.0272-0.0509-0.0960 ( 1455 PWs) bands (ev): -11.8097 -11.8097 -9.6985 -9.6985 1.0173 1.0173 5.0789 5.0789 5.3102 5.3102 5.3634 5.3634 5.7016 5.7016 6.4785 6.4785 6.5311 6.5311 7.2837 7.2837 7.5184 7.5184 8.0459 8.0459 8.1672 8.1672 11.0982 11.0982 15.3892 15.3892 16.4410 16.4410 20.9197 20.9198 k = 0.0318-0.0594-0.1120 ( 1457 PWs) bands (ev): -11.8002 -11.8002 -9.6947 -9.6947 1.0267 1.0267 5.0155 5.0155 5.2973 5.2973 5.3608 5.3608 5.7351 5.7351 6.4603 6.4603 6.5245 6.5245 7.2845 7.2845 7.5203 7.5203 8.0428 8.0428 8.1645 8.1645 11.1145 11.1145 15.4228 15.4228 16.4653 16.4653 20.9217 20.9217 k = 0.0363-0.0679-0.1280 ( 1457 PWs) bands (ev): -11.7893 -11.7893 -9.6904 -9.6904 1.0374 1.0374 4.9497 4.9497 5.2811 5.2811 5.3584 5.3584 5.7668 5.7668 6.4406 6.4406 6.5172 6.5172 7.2853 7.2853 7.5228 7.5228 8.0392 8.0392 8.1614 8.1614 11.1328 11.1328 15.4611 15.4611 16.4929 16.4929 20.9236 20.9236 k = 0.0409-0.0764-0.1440 ( 1455 PWs) bands (ev): -11.7769 -11.7769 -9.6856 -9.6856 1.0495 1.0495 4.8818 4.8818 5.2613 5.2613 5.3560 5.3560 5.7965 5.7965 6.4204 6.4204 6.5090 6.5090 7.2859 7.2859 7.5258 7.5258 8.0349 8.0349 8.1581 8.1581 11.1529 11.1529 15.5040 15.5040 16.5238 16.5238 20.9254 20.9254 k = 0.0454-0.0848-0.1600 ( 1455 PWs) bands (ev): -11.7631 -11.7631 -9.6803 -9.6803 1.0629 1.0629 4.8121 4.8121 5.2376 5.2376 5.3532 5.3532 5.8243 5.8243 6.4004 6.4004 6.4998 6.4998 7.2863 7.2863 7.5294 7.5294 8.0302 8.0302 8.1545 8.1545 11.1748 11.1748 15.5513 15.5513 16.5578 16.5578 20.9271 20.9271 k = 0.0499-0.0933-0.1760 ( 1456 PWs) bands (ev): -11.7480 -11.7480 -9.6745 -9.6745 1.0775 1.0775 4.7406 4.7406 5.2099 5.2099 5.3499 5.3499 5.8501 5.8501 6.3813 6.3813 6.4895 6.4895 7.2865 7.2865 7.5338 7.5338 8.0249 8.0249 8.1507 8.1507 11.1981 11.1981 15.6028 15.6028 16.5946 16.5946 20.9283 20.9283 k = 0.0545-0.1018-0.1920 ( 1454 PWs) bands (ev): -11.7314 -11.7314 -9.6682 -9.6682 1.0934 1.0934 4.6677 4.6677 5.1780 5.1780 5.3459 5.3459 5.8741 5.8741 6.3639 6.3639 6.4780 6.4780 7.2863 7.2863 7.5390 7.5390 8.0191 8.0191 8.1468 8.1468 11.2228 11.2228 15.6583 15.6583 16.6341 16.6341 20.9290 20.9290 k = 0.0590-0.1103-0.2080 ( 1458 PWs) bands (ev): -11.7135 -11.7135 -9.6614 -9.6614 1.1105 1.1105 4.5934 4.5934 5.1415 5.1415 5.3411 5.3411 5.8964 5.8964 6.3488 6.3488 6.4654 6.4654 7.2858 7.2858 7.5451 7.5451 8.0127 8.0127 8.1427 8.1427 11.2485 11.2485 15.7176 15.7176 16.6760 16.6760 20.9290 20.9290 k = 0.0636-0.1188-0.2240 ( 1458 PWs) bands (ev): -11.6943 -11.6943 -9.6542 -9.6542 1.1286 1.1286 4.5179 4.5179 5.1006 5.1006 5.3353 5.3353 5.9169 5.9169 6.3365 6.3365 6.4514 6.4514 7.2847 7.2847 7.5520 7.5520 8.0058 8.0058 8.1385 8.1385 11.2753 11.2753 15.7805 15.7805 16.7203 16.7203 20.9279 20.9279 k = 0.0681-0.1273-0.2400 ( 1462 PWs) bands (ev): -11.6737 -11.6737 -9.6466 -9.6466 1.1479 1.1479 4.4415 4.4415 5.0552 5.0552 5.3285 5.3285 5.9357 5.9357 6.3275 6.3275 6.4362 6.4362 7.2832 7.2832 7.5600 7.5600 7.9983 7.9983 8.1341 8.1341 11.3030 11.3030 15.8467 15.8467 16.7665 16.7665 20.9257 20.9257 k = 0.0726-0.1358-0.2560 ( 1460 PWs) bands (ev): -11.6519 -11.6519 -9.6386 -9.6386 1.1682 1.1682 4.3642 4.3642 5.0052 5.0052 5.3207 5.3207 5.9530 5.9530 6.3221 6.3221 6.4196 6.4196 7.2813 7.2813 7.5691 7.5691 7.9904 7.9904 8.1297 8.1297 11.3314 11.3314 15.9161 15.9161 16.8145 16.8145 20.9219 20.9219 k = 0.0772-0.1442-0.2719 ( 1458 PWs) bands (ev): -11.6287 -11.6287 -9.6303 -9.6303 1.1894 1.1894 4.2863 4.2863 4.9510 4.9510 5.3116 5.3116 5.9688 5.9688 6.3203 6.3203 6.4017 6.4017 7.2789 7.2789 7.5792 7.5792 7.9822 7.9822 8.1252 8.1252 11.3604 11.3604 15.9884 15.9884 16.8641 16.8641 20.9164 20.9164 k = 0.0817-0.1527-0.2879 ( 1458 PWs) bands (ev): -11.6044 -11.6044 -9.6216 -9.6216 1.2115 1.2115 4.2080 4.2080 4.8927 4.8927 5.3014 5.3014 5.9831 5.9831 6.3220 6.3220 6.3826 6.3826 7.2761 7.2761 7.5903 7.5903 7.9735 7.9735 8.1206 8.1206 11.3899 11.3899 16.0634 16.0634 16.9149 16.9149 20.9088 20.9088 k = 0.0863-0.1612-0.3039 ( 1458 PWs) bands (ev): -11.5788 -11.5788 -9.6127 -9.6127 1.2344 1.2344 4.1294 4.1294 4.8307 4.8307 5.2900 5.2900 5.9960 5.9960 6.3265 6.3265 6.3630 6.3630 7.2727 7.2727 7.6025 7.6025 7.9646 7.9646 8.1159 8.1159 11.4199 11.4199 16.1409 16.1409 16.9668 16.9668 20.8987 20.8987 k = 0.0908-0.1697-0.3199 ( 1460 PWs) bands (ev): -11.5520 -11.5520 -9.6034 -9.6034 1.2580 1.2580 4.0507 4.0507 4.7653 4.7653 5.2775 5.2775 6.0075 6.0075 6.3276 6.3276 6.3490 6.3490 7.2690 7.2690 7.6157 7.6157 7.9554 7.9554 8.1110 8.1110 11.4501 11.4501 16.2208 16.2208 17.0195 17.0195 20.8858 20.8858 k = 0.0953-0.1782-0.3359 ( 1462 PWs) bands (ev): -11.5241 -11.5241 -9.5940 -9.5940 1.2823 1.2823 3.9720 3.9720 4.6970 4.6970 5.2638 5.2638 6.0177 6.0177 6.3104 6.3104 6.3552 6.3552 7.2649 7.2649 7.6299 7.6299 7.9460 7.9460 8.1062 8.1062 11.4806 11.4806 16.3027 16.3027 17.0727 17.0727 20.8696 20.8696 k = 0.0999-0.1867-0.3519 ( 1464 PWs) bands (ev): -11.4950 -11.4950 -9.5843 -9.5843 1.3071 1.3071 3.8937 3.8937 4.6262 4.6262 5.2490 5.2490 6.0265 6.0265 6.2863 6.2863 6.3702 6.3702 7.2604 7.2604 7.6450 7.6450 7.9365 7.9365 8.1012 8.1012 11.5113 11.5113 16.3866 16.3866 17.1262 17.1262 20.8497 20.8497 k = 0.1044-0.1952-0.3679 ( 1466 PWs) bands (ev): -11.4649 -11.4649 -9.5745 -9.5745 1.3323 1.3323 3.8157 3.8157 4.5533 4.5533 5.2331 5.2331 6.0339 6.0339 6.2600 6.2600 6.3890 6.3890 7.2557 7.2557 7.6611 7.6611 7.9271 7.9271 8.0961 8.0961 11.5422 11.5422 16.4722 16.4722 17.1796 17.1796 20.8256 20.8256 k = 0.1089-0.2036-0.3839 ( 1466 PWs) bands (ev): -11.4337 -11.4337 -9.5645 -9.5645 1.3578 1.3578 3.7383 3.7383 4.4788 4.4788 5.2162 5.2162 6.0398 6.0398 6.2322 6.2322 6.4107 6.4107 7.2507 7.2507 7.6779 7.6779 7.9179 7.9179 8.0909 8.0909 11.5733 11.5733 16.5594 16.5594 17.2329 17.2329 20.7969 20.7969 k = 0.1135-0.2121-0.3999 ( 1468 PWs) bands (ev): -11.4016 -11.4016 -9.5545 -9.5545 1.3835 1.3835 3.6617 3.6617 4.4031 4.4031 5.1982 5.1982 6.0439 6.0439 6.2035 6.2035 6.4351 6.4351 7.2456 7.2456 7.6952 7.6952 7.9091 7.9091 8.0856 8.0856 11.6044 11.6044 16.6480 16.6480 17.2858 17.2858 20.7628 20.7628 k = 0.1180-0.2206-0.4159 ( 1470 PWs) bands (ev): -11.3684 -11.3684 -9.5445 -9.5445 1.4093 1.4093 3.5859 3.5859 4.3265 4.3265 5.1792 5.1792 6.0456 6.0456 6.1744 6.1744 6.4618 6.4618 7.2403 7.2403 7.7131 7.7131 7.9008 7.9008 8.0802 8.0802 11.6356 11.6356 16.7378 16.7378 17.3379 17.3379 20.7230 20.7230 k = 0.1226-0.2291-0.4319 ( 1470 PWs) bands (ev): -11.3344 -11.3344 -9.5344 -9.5344 1.4352 1.4352 3.5113 3.5113 4.2494 4.2494 5.1592 5.1592 6.0438 6.0438 6.1463 6.1463 6.4906 6.4906 7.2349 7.2349 7.7309 7.7309 7.8938 7.8938 8.0748 8.0748 11.6670 11.6670 16.8288 16.8288 17.3892 17.3892 20.6767 20.6767 k = 0.1271-0.2376-0.4479 ( 1478 PWs) bands (ev): -11.2994 -11.2994 -9.5244 -9.5244 1.4607 1.4607 3.4379 3.4379 4.1723 4.1723 5.1383 5.1383 6.0357 6.0357 6.1217 6.1217 6.5212 6.5212 7.2295 7.2295 7.7480 7.7480 7.8883 7.8883 8.0692 8.0692 11.6984 11.6984 16.9208 16.9208 17.4393 17.4393 20.6235 20.6235 k = 0.1316-0.2461-0.4639 ( 1476 PWs) bands (ev): -11.2636 -11.2636 -9.5144 -9.5144 1.4860 1.4860 3.3658 3.3658 4.0954 4.0954 5.1166 5.1166 6.0182 6.0182 6.1042 6.1042 6.5534 6.5534 7.2242 7.2242 7.7635 7.7635 7.8859 7.8859 8.0636 8.0636 11.7299 11.7299 17.0137 17.0137 17.4881 17.4881 20.5628 20.5628 k = 0.1362-0.2545-0.4799 ( 1472 PWs) bands (ev): -11.2271 -11.2271 -9.5046 -9.5046 1.5109 1.5109 3.2953 3.2953 4.0190 4.0190 5.0941 5.0941 5.9909 5.9909 6.0940 6.0940 6.5870 6.5870 7.2189 7.2189 7.7758 7.7758 7.8879 7.8879 8.0579 8.0579 11.7616 11.7616 17.1073 17.1073 17.5355 17.5355 20.4942 20.4942 k = 0.1407-0.2630-0.4959 ( 1474 PWs) bands (ev): -11.1898 -11.1898 -9.4949 -9.4949 1.5350 1.5350 3.2264 3.2264 3.9436 3.9436 5.0709 5.0709 5.9567 5.9567 6.0881 6.0881 6.6218 6.6218 7.2138 7.2138 7.7831 7.7831 7.8956 7.8956 8.0524 8.0524 11.7934 11.7934 17.2016 17.2016 17.5812 17.5812 20.4175 20.4175 k = 0.1453-0.2715-0.5119 ( 1474 PWs) bands (ev): -11.1518 -11.1518 -9.4855 -9.4855 1.5584 1.5584 3.1593 3.1593 3.8693 3.8693 5.0469 5.0469 5.9184 5.9184 6.0840 6.0840 6.6575 6.6575 7.2088 7.2088 7.7856 7.7856 7.9094 7.9094 8.0470 8.0470 11.8255 11.8255 17.2964 17.2964 17.6251 17.6251 20.3327 20.3327 k = 0.1498-0.2800-0.5279 ( 1470 PWs) bands (ev): -11.1132 -11.1132 -9.4763 -9.4763 1.5809 1.5809 3.0941 3.0941 3.7965 3.7965 5.0224 5.0224 5.8774 5.8774 6.0804 6.0804 6.6940 6.6940 7.2041 7.2041 7.7841 7.7841 7.9279 7.9279 8.0421 8.0421 11.8577 11.8577 17.3915 17.3915 17.6671 17.6671 20.2400 20.2400 k = 0.1543-0.2885-0.5439 ( 1470 PWs) bands (ev): -11.0740 -11.0740 -9.4674 -9.4674 1.6022 1.6022 3.0310 3.0310 3.7253 3.7253 4.9972 4.9972 5.8342 5.8342 6.0767 6.0767 6.7310 6.7310 7.1997 7.1997 7.7801 7.7801 7.9489 7.9489 8.0384 8.0384 11.8902 11.8902 17.4870 17.4870 17.7071 17.7071 20.1398 20.1398 k = 0.1589-0.2970-0.5599 ( 1476 PWs) bands (ev): -11.0343 -11.0343 -9.4589 -9.4589 1.6223 1.6223 2.9700 2.9700 3.6561 3.6561 4.9716 4.9716 5.7892 5.7892 6.0724 6.0724 6.7683 6.7683 7.1956 7.1956 7.7747 7.7747 7.9696 7.9696 8.0377 8.0377 11.9230 11.9230 17.5826 17.5826 17.7450 17.7450 20.0326 20.0326 k = 0.1634-0.3055-0.5759 ( 1472 PWs) bands (ev): -10.9942 -10.9942 -9.4507 -9.4507 1.6409 1.6409 2.9113 2.9113 3.5891 3.5891 4.9457 4.9457 5.7427 5.7427 6.0676 6.0676 6.8057 6.8057 7.1920 7.1920 7.7687 7.7687 7.9849 7.9849 8.0447 8.0447 11.9562 11.9562 17.6782 17.6782 17.7809 17.7809 19.9194 19.9194 k = 0.1680-0.3139-0.5919 ( 1476 PWs) bands (ev): -10.9536 -10.9536 -9.4429 -9.4429 1.6579 1.6579 2.8549 2.8549 3.5244 3.5244 4.9195 4.9195 5.6948 5.6948 6.0621 6.0621 6.8429 6.8429 7.1890 7.1890 7.7622 7.7622 7.9903 7.9903 8.0630 8.0630 11.9898 11.9898 17.7735 17.7735 17.8145 17.8145 19.8008 19.8008 k = 0.1725-0.3224-0.6079 ( 1478 PWs) bands (ev): -10.9128 -10.9128 -9.4356 -9.4356 1.6732 1.6732 2.8010 2.8010 3.4622 3.4622 4.8931 4.8931 5.6456 5.6456 6.0559 6.0559 6.8797 6.8797 7.1866 7.1866 7.7557 7.7557 7.9887 7.9887 8.0899 8.0899 12.0239 12.0239 17.8455 17.8455 17.8687 17.8687 19.6780 19.6780 k = 0.1770-0.3309-0.6239 ( 1474 PWs) bands (ev): -10.8716 -10.8716 -9.4289 -9.4289 1.6866 1.6866 2.7497 2.7497 3.4027 3.4027 4.8666 4.8666 5.5953 5.5953 6.0489 6.0489 6.9158 6.9158 7.1852 7.1852 7.7495 7.7495 7.9842 7.9842 8.1210 8.1210 12.0586 12.0586 17.8747 17.8747 17.9626 17.9626 19.5518 19.5518 k = 0.1816-0.3394-0.6399 ( 1474 PWs) bands (ev): -10.8303 -10.8303 -9.4226 -9.4226 1.6980 1.6980 2.7011 2.7011 3.3459 3.3459 4.8402 4.8402 5.5439 5.5439 6.0411 6.0411 6.9507 6.9507 7.1849 7.1849 7.7434 7.7434 7.9782 7.9782 8.1546 8.1546 12.0939 12.0939 17.9015 17.9015 18.0552 18.0552 19.4236 19.4236 k = 0.1861-0.3479-0.6559 ( 1476 PWs) bands (ev): -10.7888 -10.7888 -9.4170 -9.4170 1.7074 1.7074 2.6551 2.6551 3.2920 3.2920 4.8140 4.8140 5.4915 5.4915 6.0326 6.0326 6.9840 6.9840 7.1860 7.1860 7.7376 7.7376 7.9715 7.9715 8.1899 8.1899 12.1301 12.1301 17.9260 17.9260 18.1451 18.1451 19.2951 19.2951 k = 0.1907-0.3564-0.6719 ( 1472 PWs) bands (ev): -10.7472 -10.7472 -9.4119 -9.4119 1.7147 1.7147 2.6120 2.6120 3.2409 3.2409 4.7881 4.7881 5.4383 5.4383 6.0233 6.0233 7.0152 7.0152 7.1891 7.1891 7.7323 7.7323 7.9645 7.9645 8.2268 8.2268 12.1671 12.1671 17.9481 17.9481 18.2305 18.2305 19.1686 19.1686 k = 0.1952-0.3649-0.6879 ( 1476 PWs) bands (ev): -10.7056 -10.7056 -9.4075 -9.4075 1.7199 1.7199 2.5717 2.5717 3.1925 3.1925 4.7627 4.7627 5.3842 5.3842 6.0131 6.0131 7.0432 7.0432 7.1947 7.1947 7.7274 7.7274 7.9571 7.9571 8.2646 8.2646 12.2050 12.2050 17.9677 17.9677 18.3070 18.3070 19.0490 19.0490 k = 0.1997-0.3733-0.7039 ( 1476 PWs) bands (ev): -10.6641 -10.6641 -9.4038 -9.4038 1.7232 1.7232 2.5343 2.5343 3.1468 3.1468 4.7378 4.7378 5.3295 5.3295 6.0022 6.0022 7.0674 7.0674 7.2040 7.2040 7.7229 7.7229 7.9494 7.9494 8.3034 8.3034 12.2441 12.2441 17.9848 17.9848 18.3651 18.3651 18.9461 18.9461 k = 0.2043-0.3818-0.7199 ( 1476 PWs) bands (ev): -10.6227 -10.6227 -9.4008 -9.4008 1.7246 1.7246 2.4999 2.4999 3.1037 3.1037 4.7137 4.7137 5.2741 5.2741 5.9906 5.9906 7.0869 7.0869 7.2173 7.2173 7.7189 7.7189 7.9416 7.9416 8.3430 8.3430 12.2843 12.2843 17.9992 17.9992 18.3857 18.3857 18.8793 18.8793 k = 0.2088-0.3903-0.7359 ( 1476 PWs) bands (ev): -10.5815 -10.5815 -9.3985 -9.3985 1.7242 1.7242 2.4685 2.4685 3.0629 3.0629 4.6905 4.6905 5.2182 5.2182 5.9782 5.9782 7.1017 7.1017 7.2346 7.2346 7.7154 7.7154 7.9337 7.9337 8.3831 8.3831 12.3260 12.3260 18.0106 18.0106 18.3488 18.3488 18.8692 18.8692 k = 0.2134-0.3988-0.7519 ( 1480 PWs) bands (ev): -10.5405 -10.5405 -9.3970 -9.3970 1.7223 1.7223 2.4402 2.4402 3.0242 3.0242 4.6683 4.6683 5.1619 5.1619 5.9651 5.9651 7.1126 7.1126 7.2550 7.2550 7.7124 7.7124 7.9258 7.9258 8.4236 8.4236 12.3691 12.3691 18.0189 18.0189 18.2611 18.2611 18.9093 18.9093 k = 0.2179-0.4073-0.7679 ( 1476 PWs) bands (ev): -10.4999 -10.4999 -9.3962 -9.3962 1.7192 1.7192 2.4148 2.4148 2.9874 2.9874 4.6473 4.6473 5.1053 5.1053 5.9513 5.9513 7.1209 7.1209 7.2774 7.2774 7.7099 7.7099 7.9177 7.9177 8.4645 8.4645 12.4140 12.4140 18.0229 18.0229 18.1460 18.1460 18.9771 18.9771 k = 0.2224-0.4158-0.7838 ( 1474 PWs) bands (ev): -10.4597 -10.4597 -9.3962 -9.3962 1.7151 1.7151 2.3926 2.3926 2.9520 2.9520 4.6275 4.6275 5.0485 5.0485 5.9368 5.9368 7.1275 7.1275 7.3005 7.3005 7.7080 7.7080 7.9097 7.9097 8.5052 8.5052 12.4606 12.4606 18.0007 18.0007 18.0400 18.0400 19.0581 19.0581 k = 0.2270-0.4242-0.7998 ( 1474 PWs) bands (ev): -10.4200 -10.4200 -9.3971 -9.3971 1.7103 1.7103 2.3733 2.3733 2.9177 2.9177 4.6091 4.6091 4.9915 4.9915 5.9217 5.9217 7.1333 7.1333 7.3236 7.3236 7.7064 7.7064 7.9016 7.9016 8.5458 8.5458 12.5092 12.5092 17.8739 17.8739 18.0282 18.0282 19.1446 19.1446 k = 0.2315-0.4327-0.8158 ( 1478 PWs) bands (ev): -10.3808 -10.3808 -9.3987 -9.3987 1.7052 1.7052 2.3571 2.3571 2.8844 2.8844 4.5922 4.5922 4.9346 4.9346 5.9059 5.9059 7.1386 7.1386 7.3461 7.3461 7.7053 7.7053 7.8936 7.8936 8.5858 8.5858 12.5600 12.5600 17.7343 17.7343 18.0218 18.0218 19.1204 19.1204 k = 0.2361-0.4412-0.8318 ( 1476 PWs) bands (ev): -10.3422 -10.3422 -9.4012 -9.4012 1.7002 1.7002 2.3440 2.3440 2.8515 2.8515 4.5769 4.5769 4.8778 4.8778 5.8896 5.8896 7.1439 7.1439 7.3677 7.3677 7.7047 7.7047 7.8857 7.8857 8.6253 8.6253 12.6132 12.6132 17.5920 17.5920 18.0124 18.0124 19.0794 19.0794 k = 0.2406-0.4497-0.8478 ( 1476 PWs) bands (ev): -10.3043 -10.3043 -9.4045 -9.4045 1.6954 1.6954 2.3338 2.3338 2.8188 2.8188 4.5631 4.5631 4.8212 4.8212 5.8727 5.8727 7.1493 7.1493 7.3881 7.3881 7.7044 7.7044 7.8780 7.8780 8.6641 8.6641 12.6688 12.6688 17.4486 17.4486 17.9997 17.9997 19.0461 19.0461 k = 0.2451-0.4582-0.8638 ( 1474 PWs) bands (ev): -10.2671 -10.2671 -9.4086 -9.4086 1.6914 1.6914 2.3265 2.3265 2.7861 2.7861 4.5511 4.5511 4.7650 4.7650 5.8552 5.8552 7.1549 7.1549 7.4072 7.4072 7.7046 7.7046 7.8704 7.8704 8.7017 8.7017 12.7271 12.7271 17.3046 17.3046 17.9838 17.9838 19.0204 19.0204 k = 0.2497-0.4667-0.8798 ( 1472 PWs) bands (ev): -10.2306 -10.2306 -9.4136 -9.4136 1.6883 1.6883 2.3221 2.3221 2.7531 2.7531 4.5406 4.5406 4.7093 4.7093 5.8373 5.8373 7.1610 7.1610 7.4248 7.4248 7.7050 7.7050 7.8632 7.8632 8.7382 8.7382 12.7882 12.7882 17.1606 17.1606 17.9654 17.9654 19.0019 19.0019 k = 0.2542-0.4752-0.8958 ( 1472 PWs) bands (ev): -10.1950 -10.1950 -9.4194 -9.4194 1.6865 1.6865 2.3204 2.3204 2.7197 2.7197 4.5318 4.5318 4.6542 4.6542 5.8190 5.8190 7.1674 7.1674 7.4409 7.4409 7.7055 7.7055 7.8562 7.8562 8.7733 8.7733 12.8522 12.8522 17.0168 17.0168 17.9450 17.9450 18.9901 18.9901 k = 0.2588-0.4836-0.9118 ( 1478 PWs) bands (ev): -10.1603 -10.1603 -9.4259 -9.4259 1.6862 1.6862 2.3214 2.3214 2.6855 2.6855 4.5246 4.5246 4.6000 4.6000 5.8002 5.8002 7.1743 7.1743 7.4553 7.4553 7.7060 7.7060 7.8497 7.8497 8.8069 8.8069 12.9193 12.9193 16.8734 16.8734 17.9234 17.9234 18.9843 18.9843 k = 0.2633-0.4921-0.9278 ( 1480 PWs) bands (ev): -10.1266 -10.1266 -9.4333 -9.4333 1.6878 1.6878 2.3250 2.3250 2.6506 2.6506 4.5186 4.5186 4.5470 4.5470 5.7810 5.7810 7.1815 7.1815 7.4681 7.4681 7.7066 7.7066 7.8438 7.8438 8.8388 8.8388 12.9896 12.9896 16.7307 16.7307 17.9014 17.9014 18.9839 18.9839 k = 0.2678-0.5006-0.9438 ( 1472 PWs) bands (ev): -10.0938 -10.0938 -9.4414 -9.4414 1.6914 1.6914 2.3310 2.3310 2.6149 2.6149 4.4932 4.4932 4.5161 4.5161 5.7616 5.7616 7.1894 7.1894 7.4792 7.4792 7.7069 7.7069 7.8387 7.8387 8.8689 8.8689 13.0632 13.0632 16.5889 16.5889 17.8796 17.8796 18.9880 18.9880 k = 0.2724-0.5091-0.9598 ( 1472 PWs) bands (ev): -10.0620 -10.0620 -9.4504 -9.4504 1.6971 1.6971 2.3392 2.3392 2.5783 2.5783 4.4428 4.4428 4.5128 4.5128 5.7418 5.7418 7.1977 7.1977 7.4886 7.4886 7.7069 7.7069 7.8344 7.8344 8.8972 8.8972 13.1400 13.1400 16.4479 16.4479 17.8587 17.8587 18.9960 18.9960 k = 0.2769-0.5176-0.9758 ( 1470 PWs) bands (ev): -10.0313 -10.0313 -9.4600 -9.4600 1.7053 1.7053 2.3495 2.3495 2.5409 2.5409 4.3934 4.3934 4.5114 4.5114 5.7218 5.7218 7.2064 7.2064 7.4964 7.4964 7.7061 7.7061 7.8312 7.8312 8.9237 8.9237 13.2201 13.2201 16.3079 16.3079 17.8392 17.8392 19.0073 19.0073 k = 0.2815-0.5261-0.9918 ( 1470 PWs) bands (ev): -10.0018 -10.0018 -9.4703 -9.4703 1.7159 1.7159 2.3616 2.3616 2.5026 2.5026 4.3457 4.3457 4.5112 4.5112 5.7016 5.7016 7.2154 7.2154 7.5026 7.5026 7.7047 7.7047 7.8293 7.8293 8.9481 8.9481 13.3035 13.3035 16.1691 16.1691 17.8218 17.8218 19.0211 19.0211 k = 0.2860-0.5345-1.0078 ( 1474 PWs) bands (ev): -9.9733 -9.9733 -9.4814 -9.4814 1.7291 1.7291 2.3754 2.3754 2.4636 2.4636 4.2999 4.2999 4.5122 4.5122 5.6811 5.6811 7.2247 7.2247 7.5071 7.5071 7.7022 7.7022 7.8287 7.8287 8.9705 8.9705 13.3901 13.3901 16.0314 16.0314 17.8069 17.8069 19.0369 19.0369 k = 0.2905-0.5430-1.0238 ( 1474 PWs) bands (ev): -9.9460 -9.9460 -9.4930 -9.4930 1.7450 1.7450 2.3903 2.3903 2.4240 2.4240 4.2563 4.2563 4.5141 4.5141 5.6606 5.6606 7.2343 7.2343 7.5102 7.5102 7.6989 7.6989 7.8296 7.8296 8.9911 8.9911 13.4799 13.4799 15.8950 15.8950 17.7947 17.7947 19.0542 19.0542 k = 0.2951-0.5515-1.0398 ( 1476 PWs) bands (ev): -9.9199 -9.9199 -9.5053 -9.5053 1.7636 1.7636 2.3831 2.3831 2.4070 2.4070 4.2151 4.2151 4.5169 4.5169 5.6400 5.6400 7.2439 7.2439 7.5119 7.5119 7.6946 7.6946 7.8318 7.8318 9.0097 9.0097 13.5726 13.5726 15.7600 15.7600 17.7857 17.7857 19.0725 19.0725 k = 0.2996-0.5600-1.0558 ( 1476 PWs) bands (ev): -9.8950 -9.8950 -9.5182 -9.5182 1.7848 1.7848 2.3427 2.3427 2.4236 2.4236 4.1767 4.1767 4.5205 4.5205 5.6194 5.6194 7.2536 7.2536 7.5125 7.5125 7.6893 7.6893 7.8354 7.8354 9.0266 9.0266 13.6682 13.6682 15.6263 15.6263 17.7800 17.7800 19.0914 19.0914 k = 0.3041-0.5685-1.0718 ( 1476 PWs) bands (ev): -9.8713 -9.8713 -9.5316 -9.5316 1.8087 1.8087 2.3019 2.3019 2.4408 2.4408 4.1415 4.1415 4.5247 4.5247 5.5988 5.5988 7.2629 7.2629 7.5121 7.5121 7.6832 7.6832 7.8401 7.8401 9.0418 9.0418 13.7664 13.7664 15.4941 15.4941 17.7779 17.7779 19.1103 19.1103 k = 0.3087-0.5770-1.0878 ( 1482 PWs) bands (ev): -9.8488 -9.8488 -9.5455 -9.5455 1.8349 1.8349 2.2612 2.2612 2.4579 2.4579 4.1096 4.1096 4.5295 4.5295 5.5782 5.5782 7.2715 7.2715 7.5110 7.5110 7.6763 7.6763 7.8458 7.8458 9.0554 9.0554 13.8669 13.8669 15.3635 15.3635 17.7796 17.7796 19.1289 19.1289 k = 0.3132-0.5855-1.1038 ( 1478 PWs) bands (ev): -9.8276 -9.8276 -9.5599 -9.5599 1.8630 1.8630 2.2213 2.2213 2.4745 2.4745 4.0816 4.0816 4.5347 4.5347 5.5578 5.5578 7.2793 7.2793 7.5098 7.5098 7.6689 7.6689 7.8526 7.8526 9.0675 9.0675 13.9694 13.9694 15.2344 15.2344 17.7854 17.7854 19.1466 19.1466 k = 0.3178-0.5939-1.1198 ( 1478 PWs) bands (ev): -9.8075 -9.8075 -9.5746 -9.5746 1.8922 1.8922 2.1832 2.1832 2.4903 2.4903 4.0578 4.0578 4.5402 4.5402 5.5375 5.5375 7.2855 7.2855 7.5087 7.5087 7.6611 7.6611 7.8602 7.8602 9.0782 9.0782 14.0735 14.0735 15.1069 15.1069 17.7953 17.7953 19.1631 19.1631 k = 0.3223-0.6024-1.1358 ( 1478 PWs) bands (ev): -9.7886 -9.7886 -9.5898 -9.5898 1.9203 1.9203 2.1489 2.1489 2.5046 2.5046 4.0385 4.0385 4.5460 4.5460 5.5174 5.5174 7.2897 7.2897 7.5085 7.5085 7.6530 7.6530 7.8685 7.8685 9.0877 9.0877 14.1789 14.1789 14.9812 14.9812 17.8097 17.8097 19.1780 19.1780 k = 0.3268-0.6109-1.1518 ( 1482 PWs) bands (ev): -9.7710 -9.7710 -9.6053 -9.6053 1.9424 1.9424 2.1234 2.1234 2.5172 2.5172 4.0241 4.0241 4.5520 4.5520 5.4975 5.4975 7.2912 7.2912 7.5095 7.5095 7.6447 7.6447 7.8774 7.8774 9.0960 9.0960 14.2850 14.2850 14.8573 14.8573 17.8286 17.8286 19.1906 19.1906 k = 0.3314-0.6194-1.1678 ( 1484 PWs) bands (ev): -9.7545 -9.7545 -9.6211 -9.6211 1.9496 1.9496 2.1159 2.1159 2.5276 2.5276 4.0149 4.0149 4.5580 4.5580 5.4779 5.4779 7.2895 7.2895 7.5125 7.5125 7.6364 7.6364 7.8869 7.8869 9.1032 9.1032 14.3911 14.3911 14.7355 14.7355 17.8524 17.8524 19.2007 19.2007 k = 0.3359-0.6279-1.1838 ( 1482 PWs) bands (ev): -9.7392 -9.7392 -9.6371 -9.6371 1.9359 1.9359 2.1322 2.1322 2.5354 2.5354 4.0111 4.0111 4.5641 4.5641 5.4587 5.4587 7.2844 7.2844 7.5177 7.5177 7.6284 7.6284 7.8968 7.8968 9.1096 9.1096 14.4945 14.4945 14.6181 14.6181 17.8812 17.8812 19.2077 19.2077 k = 0.3405-0.6364-1.1998 ( 1480 PWs) bands (ev): -9.7249 -9.7249 -9.6533 -9.6533 1.9076 1.9076 2.1661 2.1661 2.5405 2.5405 4.0128 4.0128 4.5702 4.5702 5.4399 5.4399 7.2757 7.2757 7.5249 7.5249 7.6210 7.6210 7.9072 7.9072 9.1152 9.1152 14.4894 14.4894 14.6102 14.6102 17.9153 17.9153 19.2111 19.2111 k = 0.6595-0.5110-1.1244 ( 1480 PWs) bands (ev): -9.7249 -9.7249 -9.6533 -9.6533 1.9076 1.9076 2.1661 2.1661 2.5405 2.5405 4.0128 4.0128 4.5702 4.5702 5.4399 5.4399 7.2757 7.2757 7.5249 7.5249 7.6210 7.6210 7.9072 7.9072 9.1152 9.1152 14.4894 14.4894 14.6102 14.6102 17.9153 17.9153 19.2111 19.2111 k = 0.6551-0.4933-1.1244 ( 1480 PWs) bands (ev): -9.7121 -9.7121 -9.6693 -9.6693 1.8734 1.8734 2.2087 2.2087 2.5426 2.5426 4.0198 4.0198 4.5761 4.5761 5.4221 5.4221 7.2638 7.2638 7.5331 7.5331 7.6147 7.6147 7.9177 7.9177 9.1199 9.1199 14.3785 14.3785 14.7092 14.7092 17.9539 17.9539 19.2107 19.2107 k = 0.6507-0.4757-1.1244 ( 1484 PWs) bands (ev): -9.7004 -9.7004 -9.6853 -9.6853 1.8363 1.8363 2.2569 2.2569 2.5419 2.5419 4.0321 4.0321 4.5818 4.5818 5.4047 5.4047 7.2490 7.2490 7.5415 7.5415 7.6104 7.6104 7.9285 7.9285 9.1240 9.1240 14.2670 14.2670 14.8089 14.8089 17.9980 17.9980 19.2060 19.2060 k = 0.6462-0.4580-1.1244 ( 1482 PWs) bands (ev): -9.7016 -9.7016 -9.6895 -9.6895 1.7979 1.7979 2.3092 2.3092 2.5382 2.5382 4.0494 4.0494 4.5874 4.5874 5.3879 5.3879 7.2316 7.2316 7.5481 7.5481 7.6099 7.6099 7.9396 7.9396 9.1276 9.1276 14.1569 14.1569 14.9066 14.9066 18.0477 18.0477 19.1969 19.1969 k = 0.6418-0.4403-1.1244 ( 1484 PWs) bands (ev): -9.7177 -9.7177 -9.6797 -9.6797 1.7592 1.7592 2.3646 2.3646 2.5319 2.5319 4.0715 4.0715 4.5928 4.5928 5.3717 5.3717 7.2120 7.2120 7.5508 7.5508 7.6150 7.6150 7.9509 7.9509 9.1308 9.1308 14.0486 14.0486 15.0016 15.0016 18.1034 18.1034 19.1829 19.1829 k = 0.6374-0.4226-1.1244 ( 1480 PWs) bands (ev): -9.7338 -9.7338 -9.6707 -9.6707 1.7204 1.7204 2.4227 2.4227 2.5230 2.5230 4.0981 4.0981 4.5980 4.5980 5.3563 5.3563 7.1905 7.1905 7.5491 7.5491 7.6259 7.6259 7.9625 7.9625 9.1335 9.1335 13.9423 13.9423 15.0933 15.0933 18.1650 18.1650 19.1640 19.1640 k = 0.6329-0.4050-1.1244 ( 1480 PWs) bands (ev): -9.7498 -9.7498 -9.6626 -9.6626 1.6819 1.6819 2.4830 2.4830 2.5119 2.5119 4.1286 4.1286 4.6030 4.6030 5.3417 5.3417 7.1673 7.1673 7.5446 7.5446 7.6409 7.6409 7.9742 7.9742 9.1360 9.1360 13.8380 13.8380 15.1810 15.1810 18.2326 18.2326 19.1401 19.1401 k = 0.6285-0.3873-1.1244 ( 1484 PWs) bands (ev): -9.7658 -9.7658 -9.6554 -9.6554 1.6438 1.6438 2.4982 2.4982 2.5457 2.5457 4.1626 4.1626 4.6077 4.6077 5.3279 5.3279 7.1426 7.1426 7.5384 7.5384 7.6585 7.6585 7.9860 7.9860 9.1381 9.1381 13.7358 13.7358 15.2644 15.2644 18.3060 18.3060 19.1112 19.1112 k = 0.6241-0.3696-1.1244 ( 1486 PWs) bands (ev): -9.7816 -9.7816 -9.6489 -9.6489 1.6064 1.6064 2.4832 2.4832 2.6099 2.6099 4.1996 4.1996 4.6121 4.6121 5.3152 5.3152 7.1169 7.1169 7.5315 7.5315 7.6779 7.6779 7.9979 7.9979 9.1399 9.1399 13.6358 13.6358 15.3431 15.3431 18.3849 18.3849 19.0779 19.0779 k = 0.6197-0.3519-1.1244 ( 1480 PWs) bands (ev): -9.7972 -9.7972 -9.6432 -9.6432 1.5696 1.5696 2.4666 2.4666 2.6756 2.6756 4.2390 4.2390 4.6163 4.6163 5.3036 5.3036 7.0904 7.0904 7.5242 7.5242 7.6987 7.6987 8.0100 8.0100 9.1414 9.1414 13.5380 13.5380 15.4168 15.4168 18.4683 18.4683 19.0409 19.0409 k = 0.6152-0.3343-1.1244 ( 1480 PWs) bands (ev): -9.8126 -9.8126 -9.6382 -9.6382 1.5337 1.5337 2.4489 2.4489 2.7427 2.7427 4.2803 4.2803 4.6202 4.6202 5.2933 5.2933 7.0631 7.0631 7.5167 7.5167 7.7202 7.7202 8.0221 8.0221 9.1427 9.1427 13.4424 13.4424 15.4852 15.4852 18.5542 18.5542 19.0023 19.0023 k = 0.6108-0.3166-1.1244 ( 1480 PWs) bands (ev): -9.8277 -9.8277 -9.6339 -9.6339 1.4986 1.4986 2.4302 2.4302 2.8108 2.8108 4.3229 4.3229 4.6238 4.6238 5.2844 5.2844 7.0353 7.0353 7.5092 7.5092 7.7423 7.7423 8.0342 8.0342 9.1438 9.1438 13.3492 13.3492 15.5482 15.5482 18.6373 18.6373 18.9673 18.9673 k = 0.6064-0.2989-1.1244 ( 1482 PWs) bands (ev): -9.8425 -9.8425 -9.6301 -9.6301 1.4645 1.4645 2.4108 2.4108 2.8798 2.8798 4.3661 4.3661 4.6271 4.6271 5.2771 5.2771 7.0070 7.0070 7.5017 7.5017 7.7649 7.7649 8.0464 8.0464 9.1446 9.1446 13.2585 13.2585 15.6057 15.6057 18.7024 18.7024 18.9511 18.9511 k = 0.6019-0.2812-1.1244 ( 1486 PWs) bands (ev): -9.8571 -9.8571 -9.6269 -9.6269 1.4314 1.4314 2.3910 2.3910 2.9494 2.9494 4.4095 4.4095 4.6301 4.6301 5.2716 5.2716 6.9786 6.9786 7.4942 7.4942 7.7878 7.7878 8.0584 8.0584 9.1453 9.1453 13.1702 13.1702 15.6579 15.6579 18.7203 18.7203 18.9827 18.9827 k = 0.5975-0.2635-1.1244 ( 1488 PWs) bands (ev): -9.8712 -9.8712 -9.6242 -9.6242 1.3994 1.3994 2.3710 2.3710 3.0194 3.0194 4.4523 4.4523 4.6328 4.6328 5.2681 5.2681 6.9501 6.9501 7.4869 7.4869 7.8109 7.8109 8.0705 8.0705 9.1457 9.1457 13.0846 13.0846 15.7047 15.7047 18.6910 18.6910 19.0617 19.0617 k = 0.5931-0.2459-1.1244 ( 1488 PWs) bands (ev): -9.8849 -9.8849 -9.6221 -9.6221 1.3685 1.3685 2.3509 2.3509 3.0895 3.0895 4.4940 4.4940 4.6352 4.6352 5.2668 5.2668 6.9217 6.9217 7.4798 7.4798 7.8341 7.8341 8.0825 8.0825 9.1461 9.1461 13.0016 13.0016 15.7465 15.7465 18.6397 18.6397 19.1014 19.1014 k = 0.5886-0.2282-1.1244 ( 1484 PWs) bands (ev): -9.8982 -9.8982 -9.6203 -9.6203 1.3387 1.3387 2.3310 2.3310 3.1594 3.1594 4.5340 4.5340 4.6373 4.6373 5.2681 5.2681 6.8935 6.8935 7.4729 7.4729 7.8573 7.8573 8.0945 8.0945 9.1462 9.1462 12.9214 12.9214 15.7833 15.7833 18.5792 18.5792 18.9980 18.9980 k = 0.5842-0.2105-1.1244 ( 1488 PWs) bands (ev): -9.9111 -9.9111 -9.6189 -9.6189 1.3102 1.3102 2.3113 2.3113 3.2289 3.2289 4.5717 4.5717 4.6391 4.6391 5.2720 5.2720 6.8656 6.8656 7.4661 7.4661 7.8802 7.8802 8.1063 8.1063 9.1462 9.1462 12.8440 12.8440 15.8154 15.8154 18.5142 18.5142 18.8951 18.8951 k = 0.5798-0.1928-1.1244 ( 1488 PWs) bands (ev): -9.9234 -9.9234 -9.6179 -9.6179 1.2829 1.2829 2.2920 2.2920 3.2977 3.2977 4.6066 4.6066 4.6407 4.6407 5.2789 5.2789 6.8382 6.8382 7.4596 7.4596 7.9029 7.9029 8.1180 8.1180 9.1461 9.1461 12.7696 12.7696 15.8431 15.8431 18.4471 18.4471 18.7943 18.7943 k = 0.5753-0.1752-1.1244 ( 1488 PWs) bands (ev): -9.9353 -9.9353 -9.6172 -9.6172 1.2569 1.2569 2.2733 2.2733 3.3655 3.3655 4.6381 4.6381 4.6421 4.6421 5.2887 5.2887 6.8114 6.8114 7.4533 7.4533 7.9252 7.9252 8.1295 8.1295 9.1459 9.1459 12.6983 12.6983 15.8666 15.8666 18.3792 18.3792 18.6962 18.6962 k = 0.5709-0.1575-1.1244 ( 1486 PWs) bands (ev): -9.9466 -9.9466 -9.6167 -9.6167 1.2322 1.2322 2.2552 2.2552 3.4320 3.4320 4.6428 4.6428 4.6666 4.6666 5.3015 5.3015 6.7852 6.7852 7.4473 7.4473 7.9470 7.9470 8.1408 8.1408 9.1456 9.1456 12.6301 12.6301 15.8863 15.8863 18.3115 18.3115 18.6012 18.6012 k = 0.5665-0.1398-1.1244 ( 1486 PWs) bands (ev): -9.9573 -9.9573 -9.6165 -9.6165 1.2088 1.2088 2.2378 2.2378 3.4969 3.4969 4.6436 4.6436 4.6912 4.6912 5.3171 5.3171 6.7599 6.7599 7.4416 7.4416 7.9681 7.9681 8.1519 8.1519 9.1451 9.1451 12.5652 12.5652 15.9025 15.9025 18.2450 18.2450 18.5096 18.5096 k = 0.5620-0.1221-1.1244 ( 1484 PWs) bands (ev): -9.9675 -9.9675 -9.6164 -9.6164 1.1869 1.1869 2.2213 2.2213 3.5599 3.5599 4.6440 4.6440 4.7122 4.7122 5.3352 5.3352 6.7355 6.7355 7.4360 7.4360 7.9885 7.9885 8.1627 8.1627 9.1446 9.1446 12.5037 12.5037 15.9154 15.9154 18.1802 18.1802 18.4219 18.4219 k = 0.5576-0.1045-1.1244 ( 1484 PWs) bands (ev): -9.9770 -9.9770 -9.6165 -9.6165 1.1663 1.1663 2.2056 2.2056 3.6207 3.6207 4.6442 4.6442 4.7299 4.7299 5.3552 5.3552 6.7119 6.7119 7.4309 7.4309 8.0081 8.0081 8.1732 8.1732 9.1439 9.1439 12.4457 12.4457 15.9254 15.9254 18.1179 18.1179 18.3384 18.3384 k = 0.5532-0.0868-1.1244 ( 1480 PWs) bands (ev): -9.9860 -9.9860 -9.6168 -9.6168 1.1472 1.1472 2.1909 2.1909 3.6789 3.6789 4.6442 4.6442 4.7444 4.7444 5.3768 5.3768 6.6896 6.6896 7.4260 7.4260 8.0267 8.0267 8.1835 8.1835 9.1433 9.1433 12.3914 12.3914 15.9328 15.9328 18.0587 18.0587 18.2595 18.2595 k = 0.5487-0.0691-1.1244 ( 1478 PWs) bands (ev): -9.9942 -9.9942 -9.6171 -9.6171 1.1295 1.1295 2.1771 2.1771 3.7342 3.7342 4.6439 4.6439 4.7561 4.7561 5.3993 5.3993 6.6685 6.6685 7.4214 7.4214 8.0442 8.0442 8.1932 8.1932 9.1426 9.1426 12.3408 12.3408 15.9379 15.9379 18.0029 18.0029 18.1856 18.1856 k = 0.5443-0.0514-1.1244 ( 1478 PWs) bands (ev): -10.0019 -10.0019 -9.6175 -9.6175 1.1133 1.1133 2.1644 2.1644 3.7863 3.7863 4.6434 4.6434 4.7654 4.7654 5.4220 5.4220 6.6487 6.6487 7.4172 7.4172 8.0604 8.0604 8.2025 8.2025 9.1418 9.1418 12.2941 12.2941 15.9410 15.9410 17.9510 17.9510 18.1168 18.1168 k = 0.5399-0.0337-1.1244 ( 1484 PWs) bands (ev): -10.0088 -10.0088 -9.6179 -9.6179 1.0985 1.0985 2.1529 2.1529 3.8347 3.8347 4.6428 4.6428 4.7728 4.7728 5.4442 5.4442 6.6303 6.6303 7.4132 7.4132 8.0752 8.0752 8.2111 8.2111 9.1411 9.1411 12.2514 12.2514 15.9425 15.9425 17.9034 17.9034 18.0537 18.0537 k = 0.5355-0.0161-1.1244 ( 1480 PWs) bands (ev): -10.0150 -10.0150 -9.6184 -9.6184 1.0853 1.0853 2.1424 2.1424 3.8793 3.8793 4.6420 4.6420 4.7785 4.7785 5.4657 5.4657 6.6135 6.6135 7.4097 7.4097 8.0888 8.0888 8.2194 8.2194 9.1404 9.1404 12.2128 12.2128 15.9427 15.9427 17.8603 17.8603 17.9964 17.9964 k = 0.5310 0.0016-1.1244 ( 1476 PWs) bands (ev): -10.0206 -10.0206 -9.6189 -9.6189 1.0736 1.0736 2.1331 2.1331 3.9197 3.9197 4.6411 4.6411 4.7829 4.7829 5.4858 5.4858 6.5984 6.5984 7.4066 7.4066 8.1009 8.1009 8.2269 8.2269 9.1397 9.1397 12.1785 12.1785 15.9420 15.9420 17.8219 17.8219 17.9451 17.9451 k = 0.5266 0.0193-1.1244 ( 1478 PWs) bands (ev): -10.0254 -10.0254 -9.6193 -9.6193 1.0635 1.0635 2.1250 2.1250 3.9555 3.9555 4.6401 4.6401 4.7862 4.7862 5.5039 5.5039 6.5850 6.5850 7.4038 7.4038 8.1114 8.1114 8.2336 8.2336 9.1390 9.1390 12.1485 12.1485 15.9406 15.9406 17.7885 17.7885 17.9002 17.9002 k = 0.5222 0.0370-1.1244 ( 1476 PWs) bands (ev): -10.0295 -10.0295 -9.6197 -9.6197 1.0548 1.0548 2.1181 2.1181 3.9865 3.9865 4.6391 4.6391 4.7887 4.7887 5.5199 5.5199 6.5736 6.5736 7.4015 7.4015 8.1204 8.1204 8.2395 8.2395 9.1385 9.1385 12.1229 12.1229 15.9388 15.9388 17.7600 17.7600 17.8619 17.8619 k = 0.5177 0.0546-1.1244 ( 1476 PWs) bands (ev): -10.0329 -10.0329 -9.6200 -9.6200 1.0478 1.0478 2.1124 2.1124 4.0122 4.0122 4.6381 4.6381 4.7905 4.7905 5.5334 5.5334 6.5640 6.5640 7.3995 7.3995 8.1278 8.1278 8.2445 8.2445 9.1380 9.1380 12.1019 12.1019 15.9370 15.9370 17.7367 17.7367 17.8302 17.8302 k = 0.5133 0.0723-1.1244 ( 1482 PWs) bands (ev): -10.0355 -10.0355 -9.6203 -9.6203 1.0423 1.0423 2.1080 2.1080 4.0326 4.0326 4.6373 4.6373 4.7917 4.7917 5.5441 5.5441 6.5565 6.5565 7.3980 7.3980 8.1335 8.1335 8.2483 8.2483 9.1375 9.1375 12.0854 12.0854 15.9352 15.9352 17.7184 17.7184 17.8055 17.8055 k = 0.5089 0.0900-1.1244 ( 1482 PWs) bands (ev): -10.0374 -10.0374 -9.6205 -9.6205 1.0383 1.0383 2.1048 2.1048 4.0473 4.0473 4.6366 4.6366 4.7926 4.7926 5.5519 5.5519 6.5511 6.5511 7.3969 7.3969 8.1376 8.1376 8.2512 8.2512 9.1372 9.1372 12.0736 12.0736 15.9339 15.9339 17.7054 17.7054 17.7877 17.7877 k = 0.5044 0.1077-1.1244 ( 1482 PWs) bands (ev): -10.0385 -10.0385 -9.6206 -9.6206 1.0360 1.0360 2.1029 2.1029 4.0562 4.0562 4.6362 4.6362 4.7930 4.7930 5.5566 5.5566 6.5478 6.5478 7.3962 7.3962 8.1400 8.1400 8.2530 8.2530 9.1370 9.1370 12.0665 12.0665 15.9330 15.9330 17.6976 17.6976 17.7770 17.7770 k = 0.5000 0.1253-1.1244 ( 1482 PWs) bands (ev): -10.0389 -10.0389 -9.6207 -9.6207 1.0352 1.0352 2.1022 2.1022 4.0592 4.0592 4.6361 4.6361 4.7932 4.7932 5.5582 5.5582 6.5467 6.5467 7.3960 7.3960 8.1408 8.1408 8.2535 8.2535 9.1370 9.1370 12.0642 12.0642 15.9327 15.9327 17.6950 17.6950 17.7734 17.7734 k = 0.5000 0.1253-1.1244 ( 1482 PWs) bands (ev): -10.0389 -10.0389 -9.6207 -9.6207 1.0352 1.0352 2.1022 2.1022 4.0592 4.0592 4.6361 4.6361 4.7932 4.7932 5.5582 5.5582 6.5467 6.5467 7.3960 7.3960 8.1408 8.1408 8.2535 8.2535 9.1370 9.1370 12.0642 12.0642 15.9327 15.9327 17.6950 17.6950 17.7734 17.7734 k = 0.5160 0.1293-1.1168 ( 1482 PWs) bands (ev): -10.0392 -10.0392 -9.6204 -9.6204 1.0357 1.0357 2.1011 2.1011 4.0604 4.0604 4.6353 4.6353 4.7923 4.7923 5.5596 5.5596 6.5468 6.5468 7.3976 7.3976 8.1406 8.1406 8.2531 8.2531 9.1367 9.1367 12.0617 12.0617 15.9325 15.9325 17.6495 17.6495 17.8225 17.8225 k = 0.5319 0.1333-1.1093 ( 1478 PWs) bands (ev): -10.0404 -10.0404 -9.6194 -9.6194 1.0374 1.0374 2.0976 2.0976 4.0640 4.0640 4.6330 4.6330 4.7898 4.7898 5.5637 5.5637 6.5469 6.5469 7.4023 7.4023 8.1400 8.1400 8.2516 8.2516 9.1360 9.1360 12.0545 12.0545 15.9320 15.9320 17.5823 17.5823 17.9003 17.9003 k = 0.5479 0.1373-1.1017 ( 1478 PWs) bands (ev): -10.0423 -10.0423 -9.6179 -9.6179 1.0401 1.0401 2.0918 2.0918 4.0696 4.0696 4.6293 4.6293 4.7859 4.7859 5.5705 5.5705 6.5472 6.5472 7.4100 7.4100 8.1388 8.1388 8.2492 8.2492 9.1349 9.1349 12.0427 12.0427 15.9309 15.9309 17.5159 17.5159 17.9842 17.9842 k = 0.5638 0.1413-1.0942 ( 1474 PWs) bands (ev): -10.0449 -10.0449 -9.6158 -9.6158 1.0438 1.0438 2.0839 2.0839 4.0770 4.0770 4.6243 4.6243 4.7811 4.7811 5.5799 5.5799 6.5476 6.5476 7.4205 7.4205 8.1371 8.1371 8.2460 8.2460 9.1333 9.1333 12.0264 12.0264 15.9292 15.9292 17.4527 17.4527 18.0720 18.0720 k = 0.5798 0.1453-1.0867 ( 1481 PWs) bands (ev): -10.0482 -10.0482 -9.6131 -9.6131 1.0487 1.0487 2.0740 2.0740 4.0855 4.0855 4.6180 4.6180 4.7758 4.7758 5.5917 5.5917 6.5480 6.5480 7.4333 7.4333 8.1348 8.1348 8.2419 8.2419 9.1310 9.1310 12.0062 12.0062 15.9265 15.9265 17.3932 17.3932 18.1630 18.1630 k = 0.5957 0.1493-1.0791 ( 1483 PWs) bands (ev): -10.0522 -10.0522 -9.6099 -9.6099 1.0545 1.0545 2.0623 2.0623 4.0946 4.0946 4.6106 4.6106 4.7709 4.7709 5.6058 5.6058 6.5485 6.5485 7.4483 7.4483 8.1318 8.1318 8.2372 8.2372 9.1286 9.1286 11.9824 11.9824 15.9227 15.9227 17.3377 17.3377 18.2569 18.2569 k = 0.6117 0.1533-1.0716 ( 1483 PWs) bands (ev): -10.0569 -10.0569 -9.6061 -9.6061 1.0613 1.0613 2.0489 2.0489 4.1034 4.1034 4.6024 4.6024 4.7671 4.7671 5.6219 5.6219 6.5491 6.5491 7.4650 7.4650 8.1280 8.1280 8.2320 8.2320 9.1258 9.1258 11.9555 11.9555 15.9175 15.9175 17.2863 17.2863 18.3535 18.3535 k = 0.6276 0.1573-1.0640 ( 1484 PWs) bands (ev): -10.0622 -10.0622 -9.6019 -9.6019 1.0691 1.0691 2.0341 2.0341 4.1111 4.1111 4.5934 4.5934 4.7655 4.7655 5.6397 5.6397 6.5497 6.5497 7.4830 7.4830 8.1234 8.1234 8.2265 8.2265 9.1227 9.1227 11.9262 11.9262 15.9107 15.9107 17.2392 17.2392 18.4524 18.4524 k = 0.6436 0.1613-1.0565 ( 1486 PWs) bands (ev): -10.0681 -10.0681 -9.5972 -9.5972 1.0777 1.0777 2.0180 2.0180 4.1167 4.1167 4.5838 4.5838 4.7669 4.7669 5.6592 5.6592 6.5503 6.5503 7.5017 7.5017 8.1177 8.1177 8.2210 8.2210 9.1193 9.1193 11.8950 11.8950 15.9019 15.9019 17.1964 17.1964 18.5533 18.5533 k = 0.6595 0.1653-1.0490 ( 1485 PWs) bands (ev): -10.0745 -10.0745 -9.5921 -9.5921 1.0872 1.0872 2.0009 2.0009 4.1195 4.1195 4.5738 4.5738 4.7722 4.7722 5.6801 5.6801 6.5509 6.5509 7.5209 7.5209 8.1110 8.1110 8.2154 8.2154 9.1156 9.1156 11.8626 11.8626 15.8911 15.8911 17.1579 17.1579 18.6559 18.6559 k = 0.6595 0.1653-1.0490 ( 1485 PWs) bands (ev): -10.0745 -10.0745 -9.5921 -9.5921 1.0872 1.0872 2.0009 2.0009 4.1195 4.1195 4.5738 4.5738 4.7722 4.7722 5.6801 5.6801 6.5509 6.5509 7.5209 7.5209 8.1110 8.1110 8.2154 8.2154 9.1156 9.1156 11.8626 11.8626 15.8911 15.8911 17.1579 17.1579 18.6559 18.6559 k = 0.6569 0.1647-1.0305 ( 1485 PWs) bands (ev): -10.0835 -10.0835 -9.5927 -9.5927 1.1008 1.1008 2.0100 2.0100 4.1476 4.1476 4.5775 4.5775 4.7318 4.7318 5.6810 5.6810 6.5525 6.5525 7.5284 7.5284 8.1101 8.1101 8.2143 8.2143 9.1105 9.1105 11.8292 11.8292 15.9594 15.9594 17.1589 17.1589 18.6573 18.6573 k = 0.6543 0.1640-1.0121 ( 1483 PWs) bands (ev): -10.0965 -10.0965 -9.5917 -9.5917 1.1180 1.1180 2.0212 2.0212 4.1754 4.1754 4.5822 4.5822 4.6918 4.6918 5.6825 5.6825 6.5545 6.5545 7.5365 7.5365 8.1089 8.1089 8.2129 8.2129 9.0976 9.0976 11.7998 11.7998 16.0352 16.0352 17.1616 17.1616 18.6586 18.6586 k = 0.6517 0.1634-0.9937 ( 1482 PWs) bands (ev): -10.1133 -10.1133 -9.5896 -9.5896 1.1388 1.1388 2.0345 2.0345 4.2029 4.2029 4.5875 4.5875 4.6525 4.6525 5.6847 5.6847 6.5570 6.5570 7.5451 7.5451 8.1070 8.1070 8.2112 8.2112 9.0769 9.0769 11.7747 11.7747 16.1177 16.1177 17.1660 17.1660 18.6599 18.6599 k = 0.6491 0.1627-0.9752 ( 1482 PWs) bands (ev): -10.1336 -10.1336 -9.5866 -9.5866 1.1631 1.1631 2.0498 2.0498 4.2300 4.2300 4.5915 4.5915 4.6160 4.6160 5.6875 5.6875 6.5599 6.5599 7.5542 7.5542 8.1045 8.1045 8.2094 8.2094 9.0484 9.0484 11.7545 11.7545 16.2063 16.2063 17.1721 17.1721 18.6613 18.6613 k = 0.6465 0.1621-0.9568 ( 1482 PWs) bands (ev): -10.1569 -10.1569 -9.5830 -9.5830 1.1910 1.1910 2.0669 2.0669 4.2565 4.2565 4.5710 4.5710 4.6059 4.6059 5.6909 5.6909 6.5631 6.5631 7.5637 7.5637 8.1013 8.1013 8.2076 8.2076 9.0125 9.0125 11.7394 11.7394 16.2999 16.2999 17.1798 17.1798 18.6631 18.6631 k = 0.6438 0.1614-0.9384 ( 1488 PWs) bands (ev): -10.1830 -10.1830 -9.5791 -9.5791 1.2223 1.2223 2.0859 2.0859 4.2821 4.2821 4.5353 4.5353 4.6132 4.6132 5.6949 5.6949 6.5666 6.5666 7.5736 7.5736 8.0970 8.0970 8.2058 8.2058 8.9696 8.9696 11.7292 11.7292 16.3973 16.3973 17.1894 17.1894 18.6655 18.6655 k = 0.6412 0.1608-0.9199 ( 1489 PWs) bands (ev): -10.2114 -10.2114 -9.5751 -9.5751 1.2570 1.2570 2.1067 2.1067 4.3063 4.3063 4.5004 4.5004 4.6225 4.6225 5.6994 5.6994 6.5704 6.5704 7.5840 7.5840 8.0919 8.0919 8.2044 8.2044 8.9202 8.9202 11.7240 11.7240 16.4971 16.4971 17.2012 17.2012 18.6690 18.6690 k = 0.6386 0.1601-0.9015 ( 1490 PWs) bands (ev): -10.2420 -10.2420 -9.5713 -9.5713 1.2949 1.2949 2.1290 2.1290 4.3276 4.3276 4.4689 4.4689 4.6330 4.6330 5.7045 5.7045 6.5745 6.5745 7.5948 7.5948 8.0858 8.0858 8.2032 8.2032 8.8648 8.8648 11.7236 11.7236 16.5971 16.5971 17.2162 17.2162 18.6740 18.6740 k = 0.6360 0.1594-0.8831 ( 1490 PWs) bands (ev): -10.2743 -10.2743 -9.5679 -9.5679 1.3360 1.3360 2.1529 2.1529 4.3421 4.3421 4.4447 4.4447 4.6445 4.6445 5.7101 5.7101 6.5788 6.5788 7.6059 7.6059 8.0785 8.0785 8.2025 8.2025 8.8043 8.8043 11.7275 11.7275 16.6944 16.6944 17.2362 17.2362 18.6813 18.6813 k = 0.6334 0.1588-0.8646 ( 1490 PWs) bands (ev): -10.3082 -10.3082 -9.5650 -9.5650 1.3802 1.3802 2.1780 2.1780 4.3420 4.3420 4.4362 4.4362 4.6569 4.6569 5.7162 5.7162 6.5832 6.5832 7.6172 7.6172 8.0702 8.0702 8.2021 8.2021 8.7395 8.7395 11.7354 11.7354 16.7842 16.7842 17.2642 17.2642 18.6916 18.6916 k = 0.6308 0.1581-0.8462 ( 1488 PWs) bands (ev): -10.3435 -10.3435 -9.5627 -9.5627 1.4272 1.4272 2.2043 2.2043 4.3253 4.3253 4.4453 4.4453 4.6703 4.6703 5.7228 5.7228 6.5877 6.5877 7.6287 7.6287 8.0608 8.0608 8.2021 8.2021 8.6710 8.6710 11.7470 11.7470 16.8606 16.8606 17.3047 17.3047 18.7059 18.7059 k = 0.6282 0.1575-0.8278 ( 1488 PWs) bands (ev): -10.3799 -10.3799 -9.5611 -9.5611 1.4771 1.4771 2.2315 2.2315 4.3009 4.3009 4.4635 4.4635 4.6846 4.6846 5.7299 5.7299 6.5923 6.5923 7.6403 7.6403 8.0503 8.0503 8.2025 8.2025 8.5998 8.5998 11.7617 11.7617 16.9174 16.9174 17.3619 17.3619 18.7252 18.7252 k = 0.6255 0.1568-0.8093 ( 1488 PWs) bands (ev): -10.4174 -10.4174 -9.5602 -9.5602 1.5295 1.5295 2.2595 2.2595 4.2748 4.2748 4.4850 4.4850 4.6997 4.6997 5.7374 5.7374 6.5967 6.5967 7.6519 7.6519 8.0387 8.0387 8.2031 8.2031 8.5266 8.5266 11.7792 11.7792 16.9524 16.9524 17.4364 17.4364 18.7509 18.7509 k = 0.6229 0.1562-0.7909 ( 1486 PWs) bands (ev): -10.4557 -10.4557 -9.5601 -9.5601 1.5845 1.5845 2.2879 2.2879 4.2493 4.2493 4.5078 4.5078 4.7157 4.7157 5.7453 5.7453 6.6009 6.6009 7.6634 7.6634 8.0263 8.0263 8.2037 8.2037 8.4525 8.4525 11.7991 11.7991 16.9676 16.9676 17.5239 17.5239 18.7841 18.7841 k = 0.6203 0.1555-0.7725 ( 1486 PWs) bands (ev): -10.4947 -10.4947 -9.5609 -9.5609 1.6417 1.6417 2.3166 2.3166 4.2254 4.2254 4.5311 4.5311 4.7325 4.7325 5.7537 5.7537 6.6048 6.6048 7.6746 7.6746 8.0129 8.0129 8.2040 8.2040 8.3787 8.3787 11.8211 11.8211 16.9669 16.9669 17.6182 17.6182 18.8262 18.8262 k = 0.6177 0.1549-0.7540 ( 1483 PWs) bands (ev): -10.5344 -10.5344 -9.5625 -9.5625 1.7010 1.7010 2.3452 2.3452 4.2038 4.2038 4.5546 4.5546 4.7501 4.7501 5.7624 5.7624 6.6082 6.6082 7.6852 7.6852 7.9986 7.9986 8.2024 8.2024 8.3078 8.3078 11.8448 11.8448 16.9536 16.9536 17.7142 17.7142 18.8783 18.8783 k = 0.6151 0.1542-0.7356 ( 1478 PWs) bands (ev): -10.5744 -10.5744 -9.5649 -9.5649 1.7623 1.7623 2.3734 2.3734 4.1849 4.1849 4.5782 4.5782 4.7685 4.7685 5.7714 5.7714 6.6111 6.6111 7.6949 7.6949 7.9833 7.9833 8.1900 8.1900 8.2496 8.2496 11.8700 11.8700 16.9298 16.9298 17.8077 17.8077 18.9412 18.9412 k = 0.6125 0.1535-0.7172 ( 1478 PWs) bands (ev): -10.6149 -10.6149 -9.5681 -9.5681 1.8252 1.8252 2.4010 2.4010 4.1692 4.1692 4.6018 4.6018 4.7877 4.7877 5.7808 5.7808 6.6131 6.6131 7.7027 7.7027 7.9669 7.9669 8.1439 8.1439 8.2282 8.2282 11.8962 11.8962 16.8969 16.8969 17.8959 17.8959 19.0151 19.0151 k = 0.6098 0.1529-0.6987 ( 1479 PWs) bands (ev): -10.6556 -10.6556 -9.5721 -9.5721 1.8895 1.8895 2.4277 2.4277 4.1571 4.1571 4.6253 4.6253 4.8075 4.8075 5.7904 5.7904 6.6141 6.6141 7.7075 7.7075 7.9495 7.9495 8.0843 8.0843 8.2257 8.2257 11.9234 11.9234 16.8558 16.8558 17.9770 17.9770 19.0994 19.0994 k = 0.6072 0.1522-0.6803 ( 1477 PWs) bands (ev): -10.6964 -10.6964 -9.5768 -9.5768 1.9550 1.9550 2.4531 2.4531 4.1488 4.1488 4.6489 4.6489 4.8281 4.8281 5.8003 5.8003 6.6138 6.6138 7.7073 7.7073 7.9308 7.9308 8.0289 8.0289 8.2269 8.2269 11.9513 11.9513 16.8070 16.8070 18.0499 18.0499 19.1923 19.1923 k = 0.6046 0.1516-0.6619 ( 1479 PWs) bands (ev): -10.7373 -10.7373 -9.5823 -9.5823 2.0213 2.0213 2.4770 2.4770 4.1448 4.1448 4.6725 4.6725 4.8493 4.8493 5.8103 5.8103 6.6119 6.6119 7.6989 7.6989 7.9115 7.9115 7.9832 7.9832 8.2293 8.2293 11.9797 11.9797 16.7512 16.7512 18.1142 18.1142 19.2915 19.2915 k = 0.6020 0.1509-0.6435 ( 1479 PWs) bands (ev): -10.7782 -10.7782 -9.5885 -9.5885 2.0880 2.0880 2.4993 2.4993 4.1452 4.1452 4.6962 4.6962 4.8711 4.8711 5.8206 5.8206 6.6082 6.6082 7.6791 7.6791 7.8943 7.8943 7.9491 7.9491 8.2323 8.2323 12.0084 12.0084 16.6890 16.6890 18.1696 18.1696 19.3936 19.3936 k = 0.5994 0.1503-0.6250 ( 1483 PWs) bands (ev): -10.8189 -10.8189 -9.5953 -9.5953 2.1546 2.1546 2.5199 2.5199 4.1504 4.1504 4.7200 4.7200 4.8935 4.8935 5.8310 5.8310 6.6023 6.6023 7.6476 7.6476 7.8818 7.8818 7.9251 7.9251 8.2357 8.2357 12.0373 12.0373 16.6207 16.6207 18.2162 18.2162 19.4947 19.4947 k = 0.5968 0.1496-0.6066 ( 1483 PWs) bands (ev): -10.8595 -10.8595 -9.6028 -9.6028 2.2206 2.2206 2.5390 2.5390 4.1606 4.1606 4.7440 4.7440 4.9165 4.9165 5.8414 5.8414 6.5939 6.5939 7.6077 7.6077 7.8721 7.8721 7.9104 7.9104 8.2392 8.2392 12.0664 12.0664 16.5470 16.5470 18.2536 18.2536 19.5908 19.5908 k = 0.5942 0.1490-0.5882 ( 1481 PWs) bands (ev): -10.8998 -10.8998 -9.6107 -9.6107 2.2849 2.2849 2.5572 2.5572 4.1759 4.1759 4.7684 4.7684 4.9400 4.9400 5.8520 5.8520 6.5827 6.5827 7.5642 7.5642 7.8598 7.8598 7.9062 7.9062 8.2430 8.2430 12.0953 12.0953 16.4684 16.4684 18.2815 18.2815 19.6786 19.6786 k = 0.5915 0.1483-0.5697 ( 1475 PWs) bands (ev): -10.9397 -10.9397 -9.6192 -9.6192 2.3459 2.3459 2.5756 2.5756 4.1963 4.1963 4.7931 4.7931 4.9640 4.9640 5.8626 5.8626 6.5683 6.5683 7.5206 7.5206 7.8443 7.8443 7.9103 7.9103 8.2470 8.2470 12.1242 12.1242 16.3853 16.3853 18.2992 18.2992 19.7559 19.7559 k = 0.5889 0.1476-0.5513 ( 1477 PWs) bands (ev): -10.9792 -10.9792 -9.6282 -9.6282 2.4009 2.4009 2.5968 2.5968 4.2217 4.2217 4.8182 4.8182 4.9884 4.9884 5.8731 5.8731 6.5505 6.5505 7.4792 7.4792 7.8272 7.8272 7.9187 7.9187 8.2510 8.2510 12.1528 12.1528 16.2982 16.2982 18.3061 18.3061 19.8229 19.8229 k = 0.5863 0.1470-0.5329 ( 1477 PWs) bands (ev): -11.0183 -11.0183 -9.6375 -9.6375 2.4458 2.4458 2.6245 2.6245 4.2520 4.2520 4.8438 4.8438 5.0132 5.0132 5.8836 5.8836 6.5291 6.5291 7.4412 7.4412 7.8098 7.8098 7.9296 7.9296 8.2552 8.2552 12.1811 12.1811 16.2075 16.2075 18.3018 18.3018 19.8816 19.8816 k = 0.5837 0.1463-0.5144 ( 1475 PWs) bands (ev): -11.0568 -11.0568 -9.6472 -9.6472 2.4770 2.4770 2.6622 2.6622 4.2871 4.2871 4.8702 4.8702 5.0384 5.0384 5.8940 5.8940 6.5043 6.5043 7.4076 7.4076 7.7923 7.7923 7.9419 7.9419 8.2594 8.2594 12.2090 12.2090 16.1138 16.1138 18.2860 18.2860 19.9353 19.9353 k = 0.5811 0.1457-0.4960 ( 1469 PWs) bands (ev): -11.0947 -11.0947 -9.6572 -9.6572 2.4948 2.4948 2.7095 2.7095 4.3266 4.3266 4.8972 4.8972 5.0639 5.0639 5.9044 5.9044 6.4761 6.4761 7.3785 7.3785 7.7749 7.7749 7.9551 7.9551 8.2638 8.2638 12.2365 12.2365 16.0174 16.0174 18.2589 18.2589 19.9874 19.9874 k = 0.5785 0.1450-0.4776 ( 1463 PWs) bands (ev): -11.1320 -11.1320 -9.6675 -9.6675 2.5027 2.5027 2.7630 2.7630 4.3702 4.3702 4.9251 4.9251 5.0896 5.0896 5.9145 5.9145 6.4449 6.4449 7.3540 7.3540 7.7578 7.7578 7.9690 7.9690 8.2682 8.2682 12.2634 12.2634 15.9188 15.9188 18.2209 18.2209 20.0405 20.0405 k = 0.5758 0.1444-0.4591 ( 1463 PWs) bands (ev): -11.1685 -11.1685 -9.6779 -9.6779 2.5040 2.5040 2.8192 2.8192 4.4175 4.4175 4.9540 4.9540 5.1155 5.1155 5.9244 5.9244 6.4111 6.4111 7.3338 7.3338 7.7407 7.7407 7.9832 7.9832 8.2726 8.2726 12.2898 12.2898 15.8183 15.8183 18.1731 18.1731 20.0965 20.0965 k = 0.5732 0.1437-0.4407 ( 1462 PWs) bands (ev): -11.2042 -11.2042 -9.6885 -9.6885 2.5008 2.5008 2.8760 2.8760 4.4680 4.4680 4.9840 4.9840 5.1416 5.1416 5.9340 5.9340 6.3752 6.3752 7.3177 7.3177 7.7239 7.7239 7.9977 7.9977 8.2771 8.2771 12.3156 12.3156 15.7163 15.7163 18.1164 18.1164 20.1562 20.1562 k = 0.5706 0.1430-0.4223 ( 1461 PWs) bands (ev): -11.2392 -11.2392 -9.6992 -9.6992 2.4944 2.4944 2.9321 2.9321 4.5214 4.5214 5.0152 5.0152 5.1678 5.1678 5.9433 5.9433 6.3377 6.3377 7.3051 7.3051 7.7075 7.7075 8.0125 8.0125 8.2816 8.2816 12.3407 12.3407 15.6132 15.6132 18.0521 18.0521 20.2200 20.2200 k = 0.5680 0.1424-0.4038 ( 1461 PWs) bands (ev): -11.2732 -11.2732 -9.7100 -9.7100 2.4857 2.4857 2.9869 2.9869 4.5770 4.5770 5.0477 5.0477 5.1941 5.1941 5.9522 5.9522 6.2993 6.2993 7.2956 7.2956 7.6915 7.6915 8.0273 8.0273 8.2861 8.2861 12.3651 12.3651 15.5093 15.5093 17.9816 17.9816 20.2877 20.2877 k = 0.5654 0.1417-0.3854 ( 1461 PWs) bands (ev): -11.3063 -11.3063 -9.7207 -9.7207 2.4752 2.4752 3.0396 3.0396 4.6344 4.6344 5.0817 5.0817 5.2203 5.2203 5.9607 5.9607 6.2605 6.2605 7.2887 7.2887 7.6758 7.6758 8.0421 8.0421 8.2906 8.2906 12.3889 12.3889 15.4051 15.4051 17.9060 17.9060 20.3588 20.3588 k = 0.5628 0.1411-0.3670 ( 1461 PWs) bands (ev): -11.3385 -11.3385 -9.7315 -9.7315 2.4634 2.4634 3.0901 3.0901 4.6930 4.6930 5.1172 5.1172 5.2466 5.2466 5.9687 5.9687 6.2217 6.2217 7.2840 7.2840 7.6608 7.6608 8.0570 8.0570 8.2951 8.2951 12.4118 12.4118 15.3008 15.3008 17.8266 17.8266 20.4327 20.4327 k = 0.5602 0.1404-0.3485 ( 1463 PWs) bands (ev): -11.3697 -11.3697 -9.7421 -9.7421 2.4506 2.4506 3.1380 3.1380 4.7523 4.7523 5.1543 5.1543 5.2727 5.2727 5.9761 5.9761 6.1836 6.1836 7.2810 7.2810 7.6463 7.6463 8.0717 8.0717 8.2996 8.2996 12.4340 12.4340 15.1967 15.1967 17.7443 17.7443 20.5085 20.5085 k = 0.5575 0.1398-0.3301 ( 1463 PWs) bands (ev): -11.3998 -11.3998 -9.7526 -9.7526 2.4371 2.4371 3.1831 3.1831 4.8116 4.8116 5.1931 5.1931 5.2987 5.2987 5.9827 5.9827 6.1466 6.1466 7.2794 7.2794 7.6324 7.6324 8.0864 8.0864 8.3041 8.3041 12.4554 12.4554 15.0933 15.0933 17.6602 17.6602 20.5855 20.5855 k = 0.5549 0.1391-0.3117 ( 1464 PWs) bands (ev): -11.4288 -11.4288 -9.7629 -9.7629 2.4231 2.4231 3.2254 3.2254 4.8705 4.8705 5.2338 5.2338 5.3244 5.3244 5.9881 5.9881 6.1114 6.1114 7.2790 7.2790 7.6191 7.6191 8.1010 8.1010 8.3086 8.3086 12.4760 12.4760 14.9908 14.9908 17.5751 17.5751 20.6627 20.6627 k = 0.5523 0.1385-0.2932 ( 1460 PWs) bands (ev): -11.4568 -11.4568 -9.7731 -9.7731 2.4088 2.4088 3.2648 3.2648 4.9283 4.9283 5.2761 5.2761 5.3500 5.3500 5.9914 5.9914 6.0792 6.0792 7.2793 7.2793 7.6067 7.6067 8.1155 8.1155 8.3131 8.3131 12.4957 12.4957 14.8896 14.8896 17.4898 17.4898 20.7392 20.7392 k = 0.5497 0.1378-0.2748 ( 1460 PWs) bands (ev): -11.4835 -11.4835 -9.7829 -9.7829 2.3944 2.3944 3.3012 3.3012 4.9846 4.9846 5.3198 5.3198 5.3754 5.3754 5.9903 5.9903 6.0526 6.0526 7.2802 7.2802 7.5949 7.5949 8.1297 8.1297 8.3176 8.3176 12.5145 12.5145 14.7900 14.7900 17.4049 17.4049 20.8141 20.8141 k = 0.5471 0.1371-0.2564 ( 1456 PWs) bands (ev): -11.5091 -11.5091 -9.7925 -9.7925 2.3801 2.3801 3.3347 3.3347 5.0390 5.0390 5.3643 5.3643 5.4011 5.4011 5.9799 5.9799 6.0366 6.0366 7.2815 7.2815 7.5841 7.5841 8.1436 8.1436 8.3220 8.3220 12.5324 12.5324 14.6924 14.6924 17.3212 17.3212 20.8863 20.8863 k = 0.5445 0.1365-0.2379 ( 1463 PWs) bands (ev): -11.5335 -11.5335 -9.8018 -9.8018 2.3660 2.3660 3.3653 3.3653 5.0910 5.0910 5.4070 5.4070 5.4291 5.4291 5.9599 5.9599 6.0318 6.0318 7.2828 7.2828 7.5740 7.5740 8.1570 8.1570 8.3265 8.3265 12.5494 12.5494 14.5971 14.5971 17.2390 17.2390 20.9549 20.9549 k = 0.5418 0.1358-0.2195 ( 1463 PWs) bands (ev): -11.5566 -11.5566 -9.8107 -9.8107 2.3522 2.3522 3.3932 3.3932 5.1405 5.1405 5.4402 5.4402 5.4666 5.4666 5.9367 5.9367 6.0321 6.0321 7.2842 7.2842 7.5648 7.5648 8.1702 8.1702 8.3309 8.3309 12.5655 12.5655 14.5045 14.5045 17.1590 17.1590 21.0191 21.0191 k = 0.5392 0.1352-0.2011 ( 1464 PWs) bands (ev): -11.5784 -11.5784 -9.8192 -9.8192 2.3388 2.3388 3.4183 3.4183 5.1873 5.1873 5.4654 5.4654 5.5110 5.5110 5.9141 5.9141 6.0340 6.0340 7.2856 7.2856 7.5565 7.5565 8.1829 8.1829 8.3354 8.3354 12.5807 12.5807 14.4149 14.4149 17.0817 17.0817 21.0783 21.0783 k = 0.5366 0.1345-0.1826 ( 1461 PWs) bands (ev): -11.5990 -11.5990 -9.8274 -9.8274 2.3259 2.3259 3.4409 3.4409 5.2315 5.2315 5.4882 5.4882 5.5557 5.5557 5.8941 5.8941 6.0364 6.0364 7.2868 7.2868 7.5491 7.5491 8.1952 8.1952 8.3399 8.3399 12.5950 12.5950 14.3286 14.3286 17.0074 17.0074 21.1320 21.1320 k = 0.5340 0.1339-0.1642 ( 1457 PWs) bands (ev): -11.6182 -11.6182 -9.8350 -9.8350 2.3136 2.3136 3.4610 3.4610 5.2729 5.2729 5.5096 5.5096 5.5978 5.5978 5.8780 5.8780 6.0387 6.0387 7.2879 7.2879 7.5427 7.5427 8.2069 8.2069 8.3445 8.3445 12.6083 12.6083 14.2462 14.2462 16.9365 16.9365 21.1799 21.1799 k = 0.5314 0.1332-0.1458 ( 1462 PWs) bands (ev): -11.6361 -11.6361 -9.8422 -9.8422 2.3020 2.3020 3.4789 3.4789 5.3116 5.3116 5.5299 5.5299 5.6349 5.6349 5.8675 5.8675 6.0407 6.0407 7.2886 7.2886 7.5369 7.5369 8.2178 8.2178 8.3491 8.3491 12.6206 12.6206 14.1678 14.1678 16.8694 16.8694 21.2220 21.2220 k = 0.5288 0.1326-0.1274 ( 1463 PWs) bands (ev): -11.6526 -11.6526 -9.8490 -9.8490 2.2910 2.2910 3.4947 3.4947 5.3475 5.3475 5.5491 5.5491 5.6642 5.6642 5.8649 5.8649 6.0425 6.0425 7.2890 7.2890 7.5321 7.5321 8.2280 8.2280 8.3536 8.3536 12.6320 12.6320 14.0940 14.0940 16.8065 16.8065 21.2587 21.2587 k = 0.5262 0.1319-0.1089 ( 1458 PWs) bands (ev): -11.6677 -11.6677 -9.8552 -9.8552 2.2809 2.2809 3.5085 3.5085 5.3808 5.3808 5.5671 5.5671 5.6832 5.6832 5.8723 5.8723 6.0439 6.0439 7.2892 7.2892 7.5280 7.5280 8.2375 8.2375 8.3583 8.3583 12.6424 12.6424 14.0250 14.0250 16.7479 16.7479 21.2902 21.2902 k = 0.5235 0.1312-0.0905 ( 1456 PWs) bands (ev): -11.6815 -11.6815 -9.8608 -9.8608 2.2716 2.2716 3.5204 3.5204 5.4112 5.4112 5.5838 5.5838 5.6918 5.6918 5.8890 5.8890 6.0451 6.0451 7.2892 7.2892 7.5246 7.5246 8.2461 8.2461 8.3629 8.3629 12.6518 12.6518 13.9612 13.9612 16.6941 16.6941 21.3170 21.3171 k = 0.5209 0.1306-0.0721 ( 1456 PWs) bands (ev): -11.6938 -11.6938 -9.8660 -9.8660 2.2632 2.2632 3.5307 3.5307 5.4389 5.4389 5.5991 5.5991 5.6928 5.6928 5.9116 5.9116 6.0461 6.0461 7.2890 7.2890 7.5219 7.5219 8.2538 8.2538 8.3673 8.3673 12.6602 12.6602 13.9031 13.9031 16.6453 16.6453 21.3396 21.3396 k = 0.5183 0.1299-0.0536 ( 1460 PWs) bands (ev): -11.7048 -11.7048 -9.8705 -9.8705 2.2557 2.2557 3.5394 3.5394 5.4637 5.4637 5.6128 5.6128 5.6896 5.6896 5.9364 5.9364 6.0470 6.0470 7.2886 7.2886 7.5197 7.5197 8.2605 8.2605 8.3715 8.3715 12.6676 12.6676 13.8508 13.8508 16.6016 16.6016 21.3584 21.3584 k = 0.5157 0.1293-0.0352 ( 1461 PWs) bands (ev): -11.7143 -11.7143 -9.8745 -9.8745 2.2491 2.2491 3.5467 3.5467 5.4855 5.4855 5.6248 5.6248 5.6848 5.6848 5.9605 5.9605 6.0481 6.0481 7.2881 7.2881 7.5179 7.5179 8.2662 8.2662 8.3756 8.3756 12.6741 12.6741 13.8048 13.8048 16.5634 16.5634 21.3739 21.3739 k = 0.5131 0.1286-0.0168 ( 1462 PWs) bands (ev): -11.7223 -11.7223 -9.8779 -9.8779 2.2435 2.2435 3.5527 3.5527 5.5043 5.5043 5.6348 5.6348 5.6797 5.6797 5.9819 5.9819 6.0495 6.0495 7.2876 7.2876 7.5166 7.5166 8.2711 8.2711 8.3792 8.3792 12.6795 12.6795 13.7653 13.7653 16.5307 16.5307 21.3864 21.3864 k = 0.5105 0.1280 0.0017 ( 1466 PWs) bands (ev): -11.7289 -11.7289 -9.8807 -9.8807 2.2389 2.2389 3.5574 3.5574 5.5200 5.5200 5.6424 5.6424 5.6754 5.6754 5.9992 5.9992 6.0517 6.0517 7.2870 7.2870 7.5156 7.5156 8.2750 8.2750 8.3824 8.3824 12.6840 12.6840 13.7326 13.7326 16.5038 16.5038 21.3962 21.3962 k = 0.5078 0.1273 0.0201 ( 1465 PWs) bands (ev): -11.7341 -11.7341 -9.8829 -9.8829 2.2353 2.2353 3.5610 3.5610 5.5325 5.5325 5.6472 5.6472 5.6729 5.6729 6.0117 6.0117 6.0549 6.0549 7.2866 7.2866 7.5149 7.5149 8.2780 8.2780 8.3850 8.3850 12.6875 12.6875 13.7069 13.7069 16.4827 16.4827 21.4036 21.4036 k = 0.5052 0.1267 0.0385 ( 1464 PWs) bands (ev): -11.7377 -11.7377 -9.8844 -9.8844 2.2327 2.2327 3.5636 3.5636 5.5416 5.5416 5.6493 5.6493 5.6722 5.6722 6.0194 6.0194 6.0586 6.0586 7.2863 7.2863 7.5145 7.5145 8.2802 8.2802 8.3870 8.3870 12.6899 12.6899 13.6884 13.6884 16.4675 16.4675 21.4088 21.4088 k = 0.5026 0.1260 0.0570 ( 1464 PWs) bands (ev): -11.7399 -11.7399 -9.8854 -9.8854 2.2311 2.2311 3.5651 3.5651 5.5472 5.5472 5.6497 5.6497 5.6725 5.6725 6.0232 6.0232 6.0617 6.0617 7.2861 7.2861 7.5142 7.5142 8.2815 8.2815 8.3882 8.3882 12.6914 12.6914 13.6773 13.6773 16.4584 16.4584 21.4118 21.4118 k = 0.5000 0.1253 0.0754 ( 1464 PWs) bands (ev): -11.7407 -11.7407 -9.8857 -9.8857 2.2306 2.2306 3.5656 3.5656 5.5490 5.5490 5.6497 5.6497 5.6727 5.6727 6.0243 6.0243 6.0629 6.0629 7.2860 7.2860 7.5141 7.5141 8.2819 8.2819 8.3886 8.3886 12.6919 12.6919 13.6736 13.6736 16.4554 16.4554 21.4128 21.4128 k = 0.5000-0.9346-0.5622 ( 1476 PWs) bands (ev): -10.1495 -10.1495 -9.4894 -9.4894 1.2023 1.2023 1.6714 1.6714 3.8224 3.8224 4.4186 4.4186 5.3779 5.3779 6.0244 6.0244 6.5504 6.5504 7.6158 7.6158 7.9150 7.9150 8.1860 8.1860 9.0574 9.0574 11.7188 11.7188 15.1709 15.1709 16.9398 16.9398 20.1048 20.1048 k = 0.5168-0.9280-0.5582 ( 1477 PWs) bands (ev): -10.1492 -10.1492 -9.4899 -9.4899 1.2017 1.2017 1.6727 1.6727 3.8236 3.8236 4.4191 4.4191 5.3750 5.3750 6.0230 6.0230 6.5504 6.5504 7.6162 7.6162 7.9160 7.9160 8.1861 8.1861 9.0574 9.0574 11.7189 11.7189 15.1738 15.1738 16.9401 16.9401 20.0984 20.0984 k = 0.5336-0.9214-0.5542 ( 1474 PWs) bands (ev): -10.1483 -10.1483 -9.4911 -9.4911 1.1997 1.1997 1.6769 1.6769 3.8273 3.8273 4.4207 4.4207 5.3665 5.3665 6.0187 6.0187 6.5505 6.5505 7.6175 7.6175 7.9190 7.9190 8.1862 8.1862 9.0574 9.0574 11.7193 11.7193 15.1827 15.1827 16.9410 16.9410 20.0794 20.0794 k = 0.5504-0.9148-0.5503 ( 1473 PWs) bands (ev): -10.1468 -10.1468 -9.4931 -9.4931 1.1966 1.1966 1.6836 1.6836 3.8336 3.8336 4.4233 4.4233 5.3524 5.3524 6.0117 6.0117 6.5506 6.5506 7.6195 7.6195 7.9239 7.9239 8.1864 8.1864 9.0576 9.0576 11.7201 11.7201 15.1974 15.1974 16.9426 16.9426 20.0486 20.0486 k = 0.5672-0.9082-0.5463 ( 1475 PWs) bands (ev): -10.1448 -10.1448 -9.4958 -9.4958 1.1923 1.1923 1.6929 1.6929 3.8422 3.8422 4.4269 4.4269 5.3331 5.3331 6.0020 6.0020 6.5507 6.5507 7.6219 7.6219 7.9306 7.9306 8.1866 8.1866 9.0581 9.0581 11.7213 11.7213 15.2177 15.2177 16.9449 16.9449 20.0070 20.0070 k = 0.5840-0.9016-0.5423 ( 1477 PWs) bands (ev): -10.1422 -10.1422 -9.4994 -9.4994 1.1871 1.1871 1.7046 1.7046 3.8531 3.8531 4.4316 4.4316 5.3088 5.3088 5.9898 5.9898 6.5508 6.5508 7.6244 7.6244 7.9389 7.9389 8.1869 8.1869 9.0588 9.0588 11.7229 11.7229 15.2435 15.2435 16.9478 16.9478 19.9556 19.9556 k = 0.6008-0.8950-0.5384 ( 1477 PWs) bands (ev): -10.1391 -10.1391 -9.5036 -9.5036 1.1810 1.1810 1.7185 1.7185 3.8663 3.8663 4.4372 4.4372 5.2801 5.2801 5.9752 5.9752 6.5509 6.5509 7.6267 7.6267 7.9488 7.9488 8.1873 8.1873 9.0599 9.0599 11.7252 11.7252 15.2743 15.2743 16.9516 16.9516 19.8954 19.8954 k = 0.6176-0.8884-0.5344 ( 1477 PWs) bands (ev): -10.1354 -10.1354 -9.5085 -9.5085 1.1743 1.1743 1.7343 1.7343 3.8815 3.8815 4.4438 4.4438 5.2473 5.2473 5.9585 5.9585 6.5510 6.5510 7.6283 7.6283 7.9601 7.9601 8.1878 8.1878 9.0615 9.0615 11.7283 11.7283 15.3098 15.3098 16.9561 16.9561 19.8273 19.8273 k = 0.6343-0.8818-0.5304 ( 1479 PWs) bands (ev): -10.1313 -10.1313 -9.5140 -9.5140 1.1671 1.1671 1.7519 1.7519 3.8986 3.8986 4.4513 4.4513 5.2111 5.2111 5.9399 5.9399 6.5511 6.5511 7.6288 7.6288 7.9724 7.9724 8.1884 8.1884 9.0637 9.0637 11.7323 11.7323 15.3496 15.3496 16.9617 16.9617 19.7522 19.7522 k = 0.6511-0.8752-0.5265 ( 1481 PWs) bands (ev): -10.1268 -10.1268 -9.5201 -9.5201 1.1595 1.1595 1.7712 1.7712 3.9174 3.9174 4.4597 4.4597 5.1720 5.1720 5.9195 5.9195 6.5511 6.5511 7.6279 7.6279 7.9857 7.9857 8.1892 8.1892 9.0665 9.0665 11.7373 11.7373 15.3933 15.3933 16.9683 16.9683 19.6707 19.6707 k = 0.6679-0.8686-0.5225 ( 1481 PWs) bands (ev): -10.1220 -10.1220 -9.5267 -9.5267 1.1516 1.1516 1.7917 1.7917 3.9377 3.9377 4.4688 4.4688 5.1306 5.1306 5.8978 5.8978 6.5512 6.5512 7.6254 7.6254 7.9996 7.9996 8.1901 8.1901 9.0700 9.0700 11.7434 11.7434 15.4402 15.4402 16.9761 16.9761 19.5837 19.5837 k = 0.6847-0.8620-0.5185 ( 1479 PWs) bands (ev): -10.1168 -10.1168 -9.5336 -9.5336 1.1437 1.1437 1.8134 1.8134 3.9592 3.9592 4.4788 4.4788 5.0876 5.0876 5.8748 5.8748 6.5512 6.5512 7.6211 7.6211 8.0139 8.0139 8.1912 8.1912 9.0742 9.0742 11.7509 11.7509 15.4898 15.4898 16.9855 16.9855 19.4917 19.4917 k = 0.7015-0.8554-0.5146 ( 1479 PWs) bands (ev): -10.1114 -10.1114 -9.5409 -9.5409 1.1357 1.1357 1.8361 1.8361 3.9815 3.9815 4.4894 4.4894 5.0435 5.0435 5.8509 5.8509 6.5512 6.5512 7.6146 7.6146 8.0284 8.0284 8.1926 8.1926 9.0790 9.0790 11.7597 11.7597 15.5414 15.5414 16.9966 16.9966 19.3954 19.3954 k = 0.7183-0.8488-0.5106 ( 1477 PWs) bands (ev): -10.1058 -10.1058 -9.5485 -9.5485 1.1279 1.1279 1.8594 1.8594 4.0044 4.0044 4.5006 4.5006 4.9991 4.9991 5.8263 5.8263 6.5512 6.5512 7.6062 7.6062 8.0428 8.0428 8.1943 8.1943 9.0843 9.0843 11.7700 11.7700 15.5943 15.5943 17.0097 17.0097 19.2956 19.2956 k = 0.7351-0.8422-0.5066 ( 1478 PWs) bands (ev): -10.1002 -10.1002 -9.5562 -9.5562 1.1202 1.1202 1.8832 1.8832 4.0272 4.0272 4.5123 4.5123 4.9551 4.9551 5.8014 5.8014 6.5512 6.5512 7.5957 7.5957 8.0567 8.0567 8.1964 8.1964 9.0899 9.0899 11.7818 11.7818 15.6476 15.6476 17.0254 17.0254 19.1928 19.1928 k = 0.7519-0.8356-0.5027 ( 1480 PWs) bands (ev): -10.0946 -10.0946 -9.5638 -9.5638 1.1128 1.1128 1.9073 1.9073 4.0496 4.0496 4.5244 4.5244 4.9123 4.9123 5.7763 5.7763 6.5512 6.5512 7.5833 7.5833 8.0699 8.0699 8.1990 8.1990 9.0957 9.0957 11.7951 11.7951 15.7007 15.7007 17.0439 17.0439 19.0876 19.0876 k = 0.7687-0.8290-0.4987 ( 1484 PWs) bands (ev): -10.0891 -10.0891 -9.5714 -9.5714 1.1058 1.1058 1.9314 1.9314 4.0707 4.0707 4.5367 4.5367 4.8716 4.8716 5.7513 5.7513 6.5511 6.5511 7.5693 7.5693 8.0821 8.0821 8.2021 8.2021 9.1013 9.1013 11.8099 11.8099 15.7525 15.7525 17.0659 17.0659 18.9807 18.9807 k = 0.7855-0.8224-0.4947 ( 1484 PWs) bands (ev): -10.0838 -10.0838 -9.5788 -9.5788 1.0991 1.0991 1.9552 1.9552 4.0900 4.0900 4.5492 4.5492 4.8340 4.8340 5.7268 5.7268 6.5510 6.5510 7.5540 7.5540 8.0931 8.0931 8.2059 8.2059 9.1067 9.1067 11.8261 11.8261 15.8021 15.8021 17.0918 17.0918 18.8728 18.8728 k = 0.8023-0.8158-0.4907 ( 1487 PWs) bands (ev): -10.0789 -10.0789 -9.5857 -9.5857 1.0929 1.0929 1.9784 1.9784 4.1066 4.1066 4.5616 4.5616 4.8005 4.8005 5.7029 5.7029 6.5509 6.5509 7.5377 7.5377 8.1028 8.1028 8.2104 8.2104 9.1115 9.1115 11.8437 11.8437 15.8486 15.8486 17.1224 17.1224 18.7643 18.7643 k = 0.8191-0.8092-0.4868 ( 1485 PWs) bands (ev): -10.0745 -10.0745 -9.5921 -9.5921 1.0872 1.0872 2.0009 2.0009 4.1195 4.1195 4.5738 4.5738 4.7722 4.7722 5.6801 5.6801 6.5509 6.5509 7.5209 7.5209 8.1110 8.1110 8.2154 8.2154 9.1156 9.1156 11.8626 11.8626 15.8911 15.8911 17.1579 17.1579 18.6559 18.6559 Writing output data file AlCuO2.save init_run : 0.25s CPU 0.41s WALL ( 1 calls) electrons : 114.46s CPU 116.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 114.45s CPU 116.50s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 414 calls) cegterg : 101.51s CPU 102.96s WALL ( 539 calls) Called by sum_band: Called by *egterg: h_psi : 73.82s CPU 74.88s WALL ( 9296 calls) s_psi : 1.99s CPU 2.16s WALL ( 9296 calls) g_psi : 0.07s CPU 0.07s WALL ( 8343 calls) cdiaghg : 30.40s CPU 30.81s WALL ( 8757 calls) cegterg:over : 1.78s CPU 1.82s WALL ( 8343 calls) cegterg:upda : 1.23s CPU 1.29s WALL ( 8343 calls) cegterg:last : 0.69s CPU 0.71s WALL ( 1367 calls) cdiaghg:chol : 1.50s CPU 1.57s WALL ( 8757 calls) cdiaghg:inve : 0.71s CPU 0.68s WALL ( 8757 calls) cdiaghg:para : 1.86s CPU 1.92s WALL ( 17514 calls) Called by h_psi: h_psi:vloc : 69.76s CPU 70.83s WALL ( 9296 calls) h_psi:vnl : 4.04s CPU 4.00s WALL ( 9296 calls) add_vuspsi : 2.12s CPU 2.14s WALL ( 9296 calls) General routines calbec : 1.86s CPU 1.84s WALL ( 9296 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.75s CPU 66.52s WALL ( 580860 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.22s WALL ( 828 calls) Parallel routines fft_scatter : 16.08s CPU 16.56s WALL ( 580883 calls) PWSCF : 2m 5.94s CPU 2m35.37s WALL This run was terminated on: 18:46:34 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=